EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN(CCCCC2=CC=CC=C2)C(=O)CCCCCCCCC=C)O)O)O
InChI: InChI=1S/C28H45NO6/c1-3-4-5-6-7-8-9-13-19-24(30)29(20-15-14-18-22-16-11-10-12-17-22)21-23-25(31)26(32)27(33)28(34-2)35-23/h3,10-12,16-17,23,25-28,31-33H,1,4-9,13-15,18-21H2,2H3/t23-,25-,26+,27-,28+/m1/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)C=C)Br)O
InChI: InChI=1S/C30H24Br2Cl2N2O6/c1-3-14-4-6-16(7-5-14)36-25(38)18-9-8-17-19(22(18)26(36)39)12-29(33)27(40)35(13-31)28(41)30(29,34)23(17)15-10-20(32)24(37)21(11-15)42-2/h3-8,10-11,18-19,22-23,37H,1,9,12-13H2,2H3/t18-,19+,22-,23-,29+,30-/m0/s1
SMILES: CCOC(=O)[C@@H]1C[C@]1(CN2C=NC(=C2C(=O)OC)C(=O)OC)Br
InChI: InChI=1S/C14H17BrN2O6/c1-4-23-11(18)8-5-14(8,15)6-17-7-16-9(12(19)21-2)10(17)13(20)22-3/h7-8H,4-6H2,1-3H3/t8-,14+/m0/s1
SMILES: CC[C@@H](C)[C@H]1[C@@H](CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)NC)C)CC3=CC=C(C=C3)OC)C)CC(C)C)C)C(C)C)O
InChI: InChI=1S/C49H78N6O12/c1-14-29(8)40-38(56)25-39(57)67-43(28(6)7)42(58)30(9)44(59)51-35(23-27(4)5)47(62)55-21-15-16-36(55)48(63)54(12)37(24-32-17-19-33(65-13)20-18-32)49(64)66-31(10)41(46(61)52-40)53-45(60)34(50-11)22-26(2)3/h17-20,26-31,34-38,40-41,43,50,56H,14-16,21-25H2,1-13H3,(H,51,59)(H,52,61)(H,53,60)/t29-,30?,31?,34?,35?,36?,37?,38-,40+,41?,43?/m1/s1
SMILES: CC1=C(SC(=N1)NC(=O)CN(CCC[NH+](C)C)C(=O)[C@H]2C[C@H]2C3=CC=CC=C3)C
InChI: InChI=1S/C22H30N4O2S/c1-15-16(2)29-22(23-15)24-20(27)14-26(12-8-11-25(3)4)21(28)19-13-18(19)17-9-6-5-7-10-17/h5-7,9-10,18-19H,8,11-14H2,1-4H3,(H,23,24,27)/p+1/t18-,19-/m0/s1
SMILES: C1[C@H]2[C@H]3[C@H]4[C@@H]1[C@H]5[C@@H]2[C@H]6[C@@H]3[C@H]7[C@@H]4C[C@@]5([C@@H]6C7)O
InChI: InChI=1S/C15H18O/c16-15-3-7-4-2-8(15)13-10(4)11-5-1-6(9(7)11)14(15)12(5)13/h4-14,16H,1-3H2/t4-,5+,6-,7+,8-,9+,10-,11+,12+,13-,14+,15+/m1/s1
SMILES: C[N+]1(CC[C@H]([C@@H](C1)O)O)C/C=C/C2=C(C3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)OCC5=CC=C(C=C5)OC.[I-]
InChI: InChI=1S/C31H37N5O8S2.HI/c1-36(12-10-21(37)22(38)13-36)11-4-5-18-15-45-28-24(23(18)30(41)44-14-17-6-8-19(42-2)9-7-17)27(39)26(28)34-29(40)25(35-43-3)20-16-46-31(32)33-20;/h4-9,16,21-22,24,26,28,37-38H,10-15H2,1-3H3,(H2-,32,33,34,40);1H/b5-4+,35-25-;/t21-,22-,24?,26-,28+,36?;/m1./s1
SMILES: C[C@H]1C[C@@H]2[C@@H](N(N=C2/C(=C/C3=CC=CS3)/C1)C(=O)C)C4=CC=CS4
InChI: InChI=1S/C19H20N2OS2/c1-12-9-14(11-15-5-3-7-23-15)18-16(10-12)19(17-6-4-8-24-17)21(20-18)13(2)22/h3-8,11-12,16,19H,9-10H2,1-2H3/b14-11+/t12-,16+,19-/m1/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C(C=C(C(=C52)O[C@H]3C(=O)C(C4)(Br)Br)OC)Br
InChI: InChI=1S/C18H18Br3NO3/c1-22-4-3-17-9-7-18(20,21)15(23)16(17)25-14-12(24-2)6-10(19)8(13(14)17)5-11(9)22/h6,9,11,16H,3-5,7H2,1-2H3/t9-,11+,16-,17-/m0/s1
SMILES: C1C[C@@H]2[C@H]3CCCS(=O)(=O)[C@H]3[C@@H]2S(=O)(=O)C1
InChI: InChI=1S/C10H16O4S2/c11-15(12)5-1-3-7-8-4-2-6-16(13,14)10(8)9(7)15/h7-10H,1-6H2/t7-,8-,9-,10-/m1/s1
SMILES: C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@@H]([C@H](OC4=C3C(=CC(=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C7=CC(=C(C=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)O)O)O)C1=CC(=C(C=C1)O)O)O
InChI: InChI=1S/C58H50O12/c59-43-23-21-39(25-45(43)61)56-47(63)29-42-44(60)30-46(62)52(58(42)70-56)54-53-50(68-34-38-19-11-4-12-20-38)27-41(65-31-35-13-5-1-6-14-35)28-51(53)69-57(55(54)64)40-22-24-48(66-32-36-15-7-2-8-16-36)49(26-40)67-33-37-17-9-3-10-18-37/h1-28,30,47,54-57,59-64H,29,31-34H2/t47-,54+,55+,56-,57-/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]([C@H]1C[C@H]2O)C3=CN=C(C=C3)Cl
InChI: InChI=1S/C16H21ClN2O3/c1-16(2,3)22-15(21)19-11-7-13(20)12(19)6-10(11)9-4-5-14(17)18-8-9/h4-5,8,10-13,20H,6-7H2,1-3H3/t10-,11-,12-,13-/m1/s1
SMILES: CCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC[C@@H]3[C@H](C3(F)F)[C@@H]4[C@H](C4(F)F)COC(=O)C5=CC=C(C=C5)C6=CC=C(C=C6)OCCCCCCCCC
InChI: InChI=1S/C52H62F4O6/c1-3-5-7-9-11-13-15-33-59-43-29-25-39(26-30-43)37-17-21-41(22-18-37)49(57)61-35-45-47(51(45,53)54)48-46(52(48,55)56)36-62-50(58)42-23-19-38(20-24-42)40-27-31-44(32-28-40)60-34-16-14-12-10-8-6-4-2/h17-32,45-48H,3-16,33-36H2,1-2H3/t45-,46-,47+,48+/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)N1CC(=O)NC2=CC=CC=C21)N3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C21H23N3O6/c1-12(24-19(27)13-6-2-3-7-14(13)20(24)28)21(29)30-11-18(26)23-10-17(25)22-15-8-4-5-9-16(15)23/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3,(H,22,25)/t12-,13-,14-/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](C2(Cl)Cl)C(=O)NCC3=CC=CO3
InChI: InChI=1S/C15H13Cl2NO2/c16-15(17)12(10-5-2-1-3-6-10)13(15)14(19)18-9-11-7-4-8-20-11/h1-8,12-13H,9H2,(H,18,19)/t12-,13+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)COC2=CC=CC=C2C(=O)N
InChI: InChI=1S/C19H26N2O5/c1-12-7-3-5-9-15(12)21-19(24)13(2)26-17(22)11-25-16-10-6-4-8-14(16)18(20)23/h4,6,8,10,12-13,15H,3,5,7,9,11H2,1-2H3,(H2,20,23)(H,21,24)/t12-,13+,15+/m0/s1
SMILES: CC1=NC2=C([C@@H]([C@H]1C#N)C3=CN=CC=C3)C(=O)C4=CC=CC=C42
InChI: InChI=1S/C19H13N3O/c1-11-15(9-20)16(12-5-4-8-21-10-12)17-18(22-11)13-6-2-3-7-14(13)19(17)23/h2-8,10,15-16H,1H3/t15-,16+/m0/s1
SMILES: COC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)/C=C/C3=CC=C(C=C3)O)O
InChI: InChI=1S/C22H24O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-9,17,19-24,26-29H,10H2,1H3/b7-4+/t17-,19-,20+,21-,22-/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(C=CC(=O)C4)C
InChI: InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,13,15-17,22H,4-5,7-8,10-12H2,1-3H3/t13-,15+,16-,17-,18-,19+,20-/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3)I)C4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C19H16INO2/c20-13-8-9-17-16(10-13)14-2-1-3-15(14)18(21-17)11-4-6-12(7-5-11)19(22)23/h1-2,4-10,14-15,18,21H,3H2,(H,22,23)/t14-,15+,18+/m0/s1
SMILES: C/C=C/[C@H](CC(=O)N1C(=S)O[C@H]2[C@@]13CC[C@H](C2)C3(C)C)O
InChI: InChI=1S/C16H23NO3S/c1-4-5-11(18)9-13(19)17-14(21)20-12-8-10-6-7-16(12,17)15(10,2)3/h4-5,10-12,18H,6-9H2,1-3H3/b5-4+/t10-,11-,12-,16-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F
InChI: InChI=1S/C22H24FNO3/c1-15-4-2-3-5-20(15)24-21(25)14-27-19-12-8-17(9-13-19)22(26)16-6-10-18(23)11-7-16/h6-13,15,20H,2-5,14H2,1H3,(H,24,25)/t15-,20+/m1/s1
SMILES: CCCC[Sn](CCCC)(CCCC)/C=C/C(=O)O[C@@H]1C[C@H](O[C@H]([C@]1(C)CO[Si](C)(C)C(C)(C)C)CCOC(=O)C(C)(C)C)/C=C/C/C=C/C(=C\[C@@H]2[C@@H]([C@H](C[C@@H](O2)C/C=C/I)O[Si](C)(C)C(C)(C)C)C)/C
InChI: InChI=1S/C46H78IO8Si2.3C4H9.Sn/c1-18-41(48)54-40-31-36(53-39(26-28-50-42(49)43(4,5)6)46(40,13)32-51-56(14,15)44(7,8)9)24-21-19-20-23-33(2)29-37-34(3)38(30-35(52-37)25-22-27-47)55-57(16,17)45(10,11)12;3*1-3-4-2;/h1,18,20-24,27,29,34-40H,19,25-26,28,30-32H2,2-17H3;3*1,3-4H2,2H3;/b18-1?,23-20+,24-21+,27-22+,33-29-;;;;/t34-,35-,36+,37+,38-,39-,40+,46-;;;;/m0..../s1
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C21H24N2O5/c1-13(2)14-7-9-15(10-8-14)22-18(24)12-28-19(25)11-23-20(26)16-5-3-4-6-17(16)21(23)27/h3-4,7-10,13,16-17H,5-6,11-12H2,1-2H3,(H,22,24)/t16-,17-/m1/s1
SMILES: CC1=CC(=CC=C1)NC(=O)[C@H]2C3=C(C4=C(C=C3CC[N@+]2(C)CC(=O)N)OCO4)OC
InChI: InChI=1S/C22H25N3O5/c1-13-5-4-6-15(9-13)24-22(27)19-18-14(7-8-25(19,2)11-17(23)26)10-16-20(21(18)28-3)30-12-29-16/h4-6,9-10,19H,7-8,11-12H2,1-3H3,(H2-,23,24,26,27)/p+1/t19-,25-/m1/s1
SMILES: C1=CC=C(C=C1)/C=C/2\[C@H]3[C@H]([C@@H]4[C@@H](O3)/C(=C/C5=CC=CC=C5)/C6=CC=CC=C46)C7=CC=CC=C72
InChI: InChI=1S/C32H24O/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)29-30-26-18-10-8-16-24(26)28(32(30)33-31(27)29)20-22-13-5-2-6-14-22/h1-20,29-32H/b27-19-,28-20+/t29-,30+,31-,32-/m0/s1
SMILES: CC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)OC5C[C@@H]([C@@H](CO5)O)O)N.Cl
InChI: InChI=1S/C25H25NO9.ClH/c1-10(27)25(26)7-13-18(16(8-25)35-17-6-14(28)15(29)9-34-17)24(33)20-19(23(13)32)21(30)11-4-2-3-5-12(11)22(20)31;/h2-5,14-17,28-29,32-33H,6-9,26H2,1H3;1H/t14-,15+,16-,17?,25-;/m0./s1
SMILES: C[C@]12CCCCC1C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]([C@@H]4O)Br)C)O
InChI: InChI=1S/C19H31BrO2/c1-18-7-4-3-5-11(18)9-15(21)16-12(18)6-8-19(2)13(16)10-14(20)17(19)22/h11-17,21-22H,3-10H2,1-2H3/t11?,12-,13-,14+,15-,16+,17-,18-,19-/m0/s1
SMILES: CCC(=O)OCOC(=O)NC(=N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@H]2[C@@H]([C@@H](CCO2)O)O)C(=O)O)NC(=O)OC(C)(C)C
InChI: InChI=1S/C24H36N4O13/c1-6-15(31)38-10-39-22(35)27-21(28-23(36)41-24(3,4)5)26-12-9-14(20(33)34)40-18(16(12)25-11(2)29)19-17(32)13(30)7-8-37-19/h9,12-13,16-19,30,32H,6-8,10H2,1-5H3,(H,25,29)(H,33,34)(H2,26,27,28,35,36)/t12-,13+,16+,17+,18+,19+/m0/s1
SMILES: C[C@@H]1CC2=C([C@H](NC3=CC=CC=C3N2)C4=CC(=C(C=C4)OC)O)C(=O)[C@@H]1C(=O)OC
InChI: InChI=1S/C23H24N2O5/c1-12-10-16-20(22(27)19(12)23(28)30-3)21(13-8-9-18(29-2)17(26)11-13)25-15-7-5-4-6-14(15)24-16/h4-9,11-12,19,21,24-26H,10H2,1-3H3/t12-,19-,21-/m1/s1
SMILES: C1CC12[C@@H]3C=C[C@H]2[C@H]4[C@H]3C(=O)N(C4=O)C5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C17H13Cl2NO2/c18-8-1-4-12(11(19)7-8)20-15(21)13-9-2-3-10(14(13)16(20)22)17(9)5-6-17/h1-4,7,9-10,13-14H,5-6H2/t9-,10+,13-,14-/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8CCCCC8
InChI: InChI=1S/C42H41NO7/c1-49-33-20-25(21-34(50-2)39(33)46)37-28-18-19-29-36(41(48)43(40(29)47)27-16-10-5-11-17-27)31(28)22-32-38(45)30(24-12-6-3-7-13-24)23-35(44)42(32,37)26-14-8-4-9-15-26/h3-4,6-9,12-15,18,20-21,23,27,29,31-32,36-37,46H,5,10-11,16-17,19,22H2,1-2H3/t29-,31+,32-,36-,37-,42-/m0/s1
SMILES: CN1CC[C@]23CC(=O)CC[C@]2([C@H]1CC4=C3C(=C(C=C4)OC)OC)OC
InChI: InChI=1S/C20H27NO4/c1-21-10-9-19-12-14(22)7-8-20(19,25-4)16(21)11-13-5-6-15(23-2)18(24-3)17(13)19/h5-6,16H,7-12H2,1-4H3/t16-,19-,20-/m1/s1
SMILES: CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]3C(=O)O)C=C4
InChI: InChI=1S/C19H21NO5S/c1-2-25-19(24)15-11-4-3-5-12(11)26-17(15)20-16(21)13-9-6-7-10(8-9)14(13)18(22)23/h6-7,9-10,13-14H,2-5,8H2,1H3,(H,20,21)(H,22,23)/t9-,10+,13-,14+/m1/s1
SMILES: CC1=CC(=C(C(=C1/C=C/C(=C/C=C/C(=C/C(=O)NC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C)/C)C)C)OC
InChI: InChI=1S/C27H35NO8/c1-14(10-11-19-16(3)13-20(35-6)18(5)17(19)4)8-7-9-15(2)12-21(29)28-26-24(32)22(30)23(31)25(36-26)27(33)34/h7-13,22-26,30-32H,1-6H3,(H,28,29)(H,33,34)/b9-7+,11-10+,14-8+,15-12+/t22-,23-,24+,25-,26?/m0/s1
SMILES: C1[C@H]2[C@H]1[C@@H]3C=C[C@H]2[C@H]4[C@H]3C(=O)N(C4=O)C5=CC=C(C=C5)OC6=CC7=CC=CC=C7C=C6
InChI: InChI=1S/C27H21NO3/c29-26-24-20-11-12-21(23-14-22(20)23)25(24)27(30)28(26)17-6-9-18(10-7-17)31-19-8-5-15-3-1-2-4-16(15)13-19/h1-13,20-25H,14H2/t20-,21+,22-,23-,24+,25+/m1/s1
SMILES: CC1=CC=C(C=C1)CNC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C17H19NO3/c1-10-2-4-11(5-3-10)9-18-16(19)14-12-6-7-13(8-12)15(14)17(20)21/h2-7,12-15H,8-9H2,1H3,(H,18,19)(H,20,21)/t12-,13+,14-,15+/m1/s1
SMILES: C1CN2CC[N+]3(CCN4[C@@H]3[C@@H]2N1CC4)CC5=CC=CC=C5.[Br-]
InChI: InChI=1S/C17H25N4.BrH/c1-2-4-15(5-3-1)14-21-12-10-19-7-6-18-8-9-20(11-13-21)17(21)16(18)19;/h1-5,16-17H,6-14H2;1H/q+1;/p-1/t16-,17+,21?;/m1./s1
SMILES: CCOC1=CC=C(C=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCCOC
InChI: InChI=1S/C17H22N2O5/c1-4-23-13-7-5-12(6-8-13)15-14(11(2)18-17(21)19-15)16(20)24-10-9-22-3/h5-8,14-15H,2,4,9-10H2,1,3H3,(H2,18,19,21)/t14-,15+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4
InChI: InChI=1S/C20H25N3O2S/c1-13-6-2-4-8-16(13)21-18(24)12-26-20-22-17-9-5-3-7-15(17)19(25)23(20)14-10-11-14/h3,5,7,9,13-14,16H,2,4,6,8,10-12H2,1H3,(H,21,24)/t13-,16+/m0/s1
SMILES: C1=CC=C2C3[C@@H]4[C@@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CCOC(=O)C6=CC(=CC=C6)Cl
InChI: InChI=1S/C27H20ClNO4/c28-16-7-5-6-15(14-16)27(32)33-13-12-29-25(30)23-21-17-8-1-2-9-18(17)22(24(23)26(29)31)20-11-4-3-10-19(20)21/h1-11,14,21-24H,12-13H2/t21?,22?,23-,24-/m1/s1
SMILES: C1CCN(CC1)CCOC2=CC(=C(C=C2)[C@@H]3[C@@H](NC=N3)C4=C(C=C(C=C4)O)Cl)Cl.Cl.Cl
InChI: InChI=1S/C22H25Cl2N3O2.2ClH/c23-19-12-15(28)4-6-17(19)21-22(26-14-25-21)18-7-5-16(13-20(18)24)29-11-10-27-8-2-1-3-9-27;;/h4-7,12-14,21-22,28H,1-3,8-11H2,(H,25,26);2*1H/t21-,22+;;/m0../s1
SMILES: CC(=O)O[C@@H](CCOCC1=CC=CC=C1)[C@@H]2CC[C@H](N[C@@H]2CCCS(=O)(=O)C3=CC=CC=C3)CC(C(=O)OC)O
InChI: InChI=1S/C30H41NO8S/c1-22(32)39-29(17-18-38-21-23-10-5-3-6-11-23)26-16-15-24(20-28(33)30(34)37-2)31-27(26)14-9-19-40(35,36)25-12-7-4-8-13-25/h3-8,10-13,24,26-29,31,33H,9,14-21H2,1-2H3/t24-,26+,27+,28?,29-/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC(=O)NC2=CC=CC=C2CC(=O)OCC=C)C(=O)OC)OC(=O)C
InChI: InChI=1S/C25H29NO13/c1-6-11-34-18(30)12-16-9-7-8-10-17(16)26-25(32)39-24-22(37-15(4)29)20(36-14(3)28)19(35-13(2)27)21(38-24)23(31)33-5/h6-10,19-22,24H,1,11-12H2,2-5H3,(H,26,32)/t19-,20-,21-,22+,24-/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1(=O)=O)[C@@H](C2=O)NS(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F)C(=O)O)C
InChI: InChI=1S/C14H11F5N2O7S2/c1-14(2)10(13(23)24)21-11(22)8(12(21)29(14,25)26)20-30(27,28)9-6(18)4(16)3(15)5(17)7(9)19/h8,10,12,20H,1-2H3,(H,23,24)/t8-,10+,12-/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC(=O)CC[NH+]3CCOCC3
InChI: InChI=1S/C17H30N2O2/c1-16(2)13-4-6-17(16,3)14(12-13)18-15(20)5-7-19-8-10-21-11-9-19/h13-14H,4-12H2,1-3H3,(H,18,20)/p+1/t13-,14+,17+/m1/s1
SMILES: C[C@@]12C[C@H](C([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)[C@](C)(C(=O)CCC(C)(C)O)O)O
InChI: InChI=1S/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10-12,14-16H2,1-8H3/t18-,19-,21?,22+,25?,26?,27?,28?,30?,33+,34-,35+,36+/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H](N(O1)C2=CC=CC=C2)C3=CC=CC=C3Cl)CO
InChI: InChI=1S/C17H18ClNO2/c1-12-15(11-20)17(14-9-5-6-10-16(14)18)19(21-12)13-7-3-2-4-8-13/h2-10,12,15,17,20H,11H2,1H3/t12-,15-,17+/m1/s1
SMILES: C1=CC=C2C=C(C=CC2=C1)N3C(=O)[C@@H]4[C@H](C3=O)ON=C4C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C21H13N3O5/c25-20-17-18(13-6-8-15(9-7-13)24(27)28)22-29-19(17)21(26)23(20)16-10-5-12-3-1-2-4-14(12)11-16/h1-11,17,19H/t17-,19+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI: InChI=1S/C14H25NO11/c1-4(17)15-7-10(20)9(19)6(25-13(7)23)3-24-14-12(22)11(21)8(18)5(2-16)26-14/h5-14,16,18-23H,2-3H2,1H3,(H,15,17)/t5-,6-,7-,8-,9-,10-,11+,12-,13-,14+/m1/s1
SMILES: COC1=C(C=CC(=C1)O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC(=CC(=C8)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C41H27Cl2F9N4O6/c1-62-30-14-23(57)6-7-25(30)32-24-8-9-26-31(36(60)55(34(26)58)22-11-18(39(44,45)46)10-19(12-22)40(47,48)49)27(24)15-28-35(59)56(37(61)38(28,32)17-2-4-21(42)5-3-17)54-33-29(43)13-20(16-53-33)41(50,51)52/h2-8,10-14,16,26-28,31-32,57H,9,15H2,1H3,(H,53,54)/t26-,27+,28-,31-,32+,38+/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@H](CC[C@]2(CC3=C1N=C(S3)C4=CC=C(C=C4)F)C)[C@H](C)C(=O)N(C)CC#C)O
InChI: InChI=1S/C26H31FN2O2S/c1-6-13-29(5)25(31)15(2)19-11-12-26(4)14-20-22(16(3)21(26)23(19)30)28-24(32-20)17-7-9-18(27)10-8-17/h1,7-10,15-16,19,21,23,30H,11-14H2,2-5H3/t15-,16-,19+,21+,23-,26-/m0/s1
SMILES: C[C@@H]1C[C@]2([C@@H]([C@H]([C@H]3[C@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)N)C)C)C)NC1)O
InChI: InChI=1S/C27H46N2O2/c1-15-13-27(30)24(29-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(28)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,29-30H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+/m1/s1
SMILES: C[C@H]1CC2=C([C@H](CC(=O)N2)C3=CC(=CC=C3)OC)C(=O)[C@H]1C(=O)OC
InChI: InChI=1S/C19H21NO5/c1-10-7-14-17(18(22)16(10)19(23)25-3)13(9-15(21)20-14)11-5-4-6-12(8-11)24-2/h4-6,8,10,13,16H,7,9H2,1-3H3,(H,20,21)/t10-,13+,16-/m0/s1
SMILES: CC1CC2C3C[C@@H](C4=CC(=O)C=CC4([C@]35[C@H](O5)CC2([C@]1(C(=O)COC(=O)C)O)C)C)F
InChI: InChI=1S/C24H29FO6/c1-12-7-15-16-9-18(25)17-8-14(27)5-6-21(17,3)24(16)20(31-24)10-22(15,4)23(12,29)19(28)11-30-13(2)26/h5-6,8,12,15-16,18,20,29H,7,9-11H2,1-4H3/t12?,15?,16?,18-,20+,21?,22?,23-,24+/m0/s1
SMILES: CC(C)(C)O[C@@H]1C[C@H](C[C@@H]2[C@@H]1C(=O)C3=C(C=CC(=C3C2=O)O)O)O
InChI: InChI=1S/C18H22O6/c1-18(2,3)24-12-7-8(19)6-9-13(12)17(23)15-11(21)5-4-10(20)14(15)16(9)22/h4-5,8-9,12-13,19-21H,6-7H2,1-3H3/t8-,9+,12+,13-/m0/s1
SMILES: C[C@]12[C@H]([C@H](C[C@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=C(C=C9)O)OC
InChI: InChI=1S/C35H30N4O5/c1-35-32(43-3)25(37(2)34(42)18-12-14-19(40)15-13-18)16-26(44-35)38-23-10-6-4-8-20(23)28-29-22(17-36-33(29)41)27-21-9-5-7-11-24(21)39(35)31(27)30(28)38/h4-15,25-26,32,40H,16-17H2,1-3H3,(H,36,41)/t25-,26-,32-,35+/m0/s1
SMILES: CC(=O)OC12CCC3([C@@]1(C[C@@H]([C@H]4[C@H]3CCC5=C4C=CC(=C5)OC)O)C)CC2
InChI: InChI=1S/C23H30O4/c1-14(24)27-23-10-8-22(9-11-23)18-7-4-15-12-16(26-3)5-6-17(15)20(18)19(25)13-21(22,23)2/h5-6,12,18-20,25H,4,7-11,13H2,1-3H3/t18-,19+,20-,21+,22?,23?/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)F
InChI: InChI=1S/C29H27FN2O4/c1-20-18-32(28(34)31-27(20)33)26-17-24(30)25(36-26)19-35-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,24-26H,17,19H2,1H3,(H,31,33,34)/t24-,25+,26+/m0/s1
SMILES: COC/C=C/1\C[C@H]2C[C@H]([C@@H]([C@H]2C1)C=O)OC3CCCCO3
InChI: InChI=1S/C17H26O4/c1-19-7-5-12-8-13-10-16(15(11-18)14(13)9-12)21-17-4-2-3-6-20-17/h5,11,13-17H,2-4,6-10H2,1H3/b12-5+/t13-,14-,15+,16+,17?/m0/s1
SMILES: CC1=C(C=C(C=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=CC(=C(C=C6)OC)O)C7=CC=C(C=C7)Cl)NC8=C(C=C(C=N8)C(F)(F)F)Cl)Cl
InChI: InChI=1S/C40H30Cl3F3N4O6/c1-18-3-9-23(15-28(18)42)49-35(52)25-11-10-24-26(32(25)37(49)54)16-27-36(53)50(48-34-29(43)14-21(17-47-34)40(44,45)46)38(55)39(27,20-5-7-22(41)8-6-20)33(24)19-4-12-31(56-2)30(51)13-19/h3-10,12-15,17,25-27,32-33,51H,11,16H2,1-2H3,(H,47,48)/t25-,26+,27-,32-,33-,39+/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)C4=CC=CC=C4CNC(=O)[C@H](C)OC(=O)C)CN(CC5=CC=CC=C5)CC6=CC=CC=C6
InChI: InChI=1S/C45H48N2O6/c1-31-42(29-47(27-34-12-6-4-7-13-34)28-35-14-8-5-9-15-35)52-45(53-43(31)38-20-18-36(30-48)19-21-38)39-24-22-37(23-25-39)41-17-11-10-16-40(41)26-46-44(50)32(2)51-33(3)49/h4-25,31-32,42-43,45,48H,26-30H2,1-3H3,(H,46,50)/t31-,32-,42+,43+,45+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H]([C@H](CC5(C4CCC3C2)O)OC(=O)C)C6=CC(=O)OC6)C)C)OC)O
InChI: InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20?,21-,22-,23?,24-,25-,27-,28-,29-,30-,31+,32?/m0/s1
SMILES: CC(=O)O[C@H]1C=CC2=C([C@@H]1OC(=O)C)C3=C(C=C2)N=CC=C3
InChI: InChI=1S/C17H15NO4/c1-10(19)21-15-8-6-12-5-7-14-13(4-3-9-18-14)16(12)17(15)22-11(2)20/h3-9,15,17H,1-2H3/t15-,17+/m0/s1
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=C[Se]C(=N3)N)SC1)C(=O)O
InChI: InChI=1S/C14H15N5O5SSe/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1
SMILES: CC(C)[C@@]1([C@@H]2C[C@@H]3[C@H]1C(=C(C)C)[C@H]2C3=C(C)C)O
InChI: InChI=1S/C17H26O/c1-8(2)13-11-7-12-15(13)14(9(3)4)16(11)17(12,18)10(5)6/h10-12,15-16,18H,7H2,1-6H3/t11-,12+,15+,16-,17-/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)[C@H]2[C@@H]3C(=O)CC(C=C3NC4=C2C(=O)N(C(=O)N4C)C)(C)C
InChI: InChI=1S/C24H29N3O3/c1-13(2)14-7-9-15(10-8-14)18-19-16(11-24(3,4)12-17(19)28)25-21-20(18)22(29)27(6)23(30)26(21)5/h7-11,13,18-19,25H,12H2,1-6H3/t18-,19-/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)NC2CC3CCC2C3)C4=CSC=C4)CCCO
InChI: InChI=1S/C22H31NO4S/c1-2-26-22-17(4-3-8-24)18(16-7-9-28-13-16)12-20(27-22)21(25)23-19-11-14-5-6-15(19)10-14/h7,9,12-15,17-19,22,24H,2-6,8,10-11H2,1H3,(H,23,25)/t14?,15?,17-,18+,19?,22+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI: InChI=1S/C17H22N2O5/c1-11-5-3-8-15(12(11)2)18-16(20)10-24-17(21)13-6-4-7-14(9-13)19(22)23/h4,6-7,9,11-12,15H,3,5,8,10H2,1-2H3,(H,18,20)/t11-,12+,15+/m1/s1
SMILES: CCNC(=O)CSC1=NN=C(N1[C@H]2CCCC[C@H]2C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C20H28N4O2S/c1-4-21-18(25)13-27-20-23-22-19(15-9-11-16(26-3)12-10-15)24(20)17-8-6-5-7-14(17)2/h9-12,14,17H,4-8,13H2,1-3H3,(H,21,25)/t14-,17+/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC[C@H]([C@H]2CC(=O)NCC3=CC=CC=C3)O)(C)CO)O
InChI: InChI=1S/C22H33NO4/c1-21-11-10-19(26)22(2,14-24)18(21)9-8-17(25)16(21)12-20(27)23-13-15-6-4-3-5-7-15/h3-7,16-19,24-26H,8-14H2,1-2H3,(H,23,27)/t16-,17-,18+,19-,21+,22+/m1/s1
SMILES: CC(=O)O[C@H]1CC/C=C\[C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C31H34O5/c1-24(32)36-29-20-12-11-19-28(33-21-25-13-5-2-6-14-25)30(34-22-26-15-7-3-8-16-26)31(29)35-23-27-17-9-4-10-18-27/h2-11,13-19,28-31H,12,20-23H2,1H3/b19-11-/t28-,29+,30+,31+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@]23[C@@H]4[C@H](C(=O)N(C4=O)C5=CC=C(C=C5)C(=O)[O-])[C@@](O2)(C(=O)C6=CC=CC=C36)C7=CC=CC=C7
InChI: InChI=1S/C32H21NO6/c34-27-23-13-7-8-14-24(23)31(20-9-3-1-4-10-20)25-26(32(27,39-31)21-11-5-2-6-12-21)29(36)33(28(25)35)22-17-15-19(16-18-22)30(37)38/h1-18,25-26H,(H,37,38)/p-1/t25-,26-,31-,32-/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC(=C(C(=C4)Br)N)Br
InChI: InChI=1S/C15H12Br2N2O2/c16-9-4-8(5-10(17)13(9)18)19-14(20)11-6-1-2-7(3-6)12(11)15(19)21/h1-2,4-7,11-12H,3,18H2/t6-,7+,11-,12-/m0/s1
SMILES: CC(C)OC(=O)[C@@H]1[C@@H]([C@@H]([C@@](CC1=O)(C)O)C(=O)OC(C)C)C2=CC=C(C=C2)Br
InChI: InChI=1S/C21H27BrO6/c1-11(2)27-19(24)17-15(23)10-21(5,26)18(20(25)28-12(3)4)16(17)13-6-8-14(22)9-7-13/h6-9,11-12,16-18,26H,10H2,1-5H3/t16-,17-,18+,21-/m0/s1
SMILES: CO[C@@H]1[C@@H]2[C@@H]3[C@H](O1)CCN3C(=O)[C@H]2OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C16H16N2O7/c1-23-16-11-12-10(24-16)6-7-17(12)14(19)13(11)25-15(20)8-2-4-9(5-3-8)18(21)22/h2-5,10-13,16H,6-7H2,1H3/t10-,11-,12+,13+,16+/m1/s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)CO[C@H]4[C@H]([C@H]([C@H]5[C@H](O4)CO[C@H](O5)C6=CC=CC=C6)OCC7=CC=CC=C7)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C38H54O11Si/c1-36(2,3)50(8,9)49-32-29(39-20-23-16-12-10-13-17-23)27-25(21-40-33(44-27)24-18-14-11-15-19-24)42-34(32)41-22-26-28-30(46-37(4,5)45-28)31-35(43-26)48-38(6,7)47-31/h10-19,25-35H,20-22H2,1-9H3/t25-,26-,27-,28+,29+,30+,31-,32+,33-,34-,35-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21+,22-,23-,25-/m0/s1
SMILES: CC1=C2[C@@H]3[C@H]([C@@]4(C=C[C@@H]5[C@]([C@H]4[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C6=C(C=CC=N6)F)NC(=O)OC(C)(C)C)O)O)OC(=O)C7=CC=CC=C7)(CO5)OC(=O)C)C)O[C@@H](O3)CN(C)C
InChI: InChI=1S/C46H58FN3O13/c1-24-28(58-40(54)34(52)33(32-27(47)17-14-20-48-32)49-41(55)63-42(3,4)5)21-46(56)38(61-39(53)26-15-12-11-13-16-26)36-44(8,19-18-29-45(36,23-57-29)62-25(2)51)37-35(31(24)43(46,6)7)59-30(60-37)22-50(9)10/h11-20,28-30,33-38,52,56H,21-23H2,1-10H3,(H,49,55)/t28-,29+,30+,33-,34+,35+,36-,37+,38-,44+,45-,46+/m0/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@H](CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C29H31NO3/c1-30-25-17-19-26(30)27(20-18-25)33-28(31)29(23-13-7-3-8-14-23,24-15-9-4-10-16-24)32-21-22-11-5-2-6-12-22/h2-16,25-27H,17-21H2,1H3/t25-,26+,27-/m0/s1
SMILES: C[C@@]12CCC(=O)C=C1CC[C@H]3[C@@H]2[C@@H](CC[C@@H]3O)O
InChI: InChI=1S/C15H22O3/c1-15-7-6-10(16)8-9(15)2-3-11-12(17)4-5-13(18)14(11)15/h8,11-14,17-18H,2-7H2,1H3/t11-,12+,13-,14-,15-/m1/s1
SMILES: CC1=CC(=C(C=C1)N[C@H]2[C@@H]([C@@H]([C@@H](CO2)O)O)O)[N+](=O)[O-]
InChI: InChI=1S/C12H16N2O6/c1-6-2-3-7(8(4-6)14(18)19)13-12-11(17)10(16)9(15)5-20-12/h2-4,9-13,15-17H,5H2,1H3/t9-,10-,11-,12-/m1/s1
SMILES: COC(=O)C1=C(C=CS1)NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)O3
InChI: InChI=1S/C14H13NO6S/c1-20-14(19)11-6(4-5-22-11)15-12(16)9-7-2-3-8(21-7)10(9)13(17)18/h2-5,7-10H,1H3,(H,15,16)(H,17,18)/t7-,8+,9-,10+/m1/s1
SMILES: CCOC(=O)[C@]12C(=O)N([C@@]3(O1)C[C@H](CC[C@@H]3C2(C)C)C)CCC=C
InChI: InChI=1S/C19H29NO4/c1-6-8-11-20-15(21)19(16(22)23-7-2)17(4,5)14-10-9-13(3)12-18(14,20)24-19/h6,13-14H,1,7-12H2,2-5H3/t13-,14+,18+,19-/m0/s1
SMILES: CC(C)[C@H]1C[C@@H]2[C@](CC[C@@H]3[C@]2(O3)C)(CC1=O)C
InChI: InChI=1S/C15H24O2/c1-9(2)10-7-12-14(3,8-11(10)16)6-5-13-15(12,4)17-13/h9-10,12-13H,5-8H2,1-4H3/t10-,12-,13-,14-,15+/m1/s1
SMILES: COC1=C(C=CC(=C1)C(=O)OC)OCC(=O)N2CCC[C@@H]3[C@@H]2CCCC3
InChI: InChI=1S/C20H27NO5/c1-24-18-12-15(20(23)25-2)9-10-17(18)26-13-19(22)21-11-5-7-14-6-3-4-8-16(14)21/h9-10,12,14,16H,3-8,11,13H2,1-2H3/t14-,16+/m1/s1
SMILES: COC(=O)CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C16H30O8/c1-22-12(18)8-6-4-2-3-5-7-9-23-16-15(21)14(20)13(19)11(10-17)24-16/h11,13-17,19-21H,2-10H2,1H3/t11-,13+,14+,15-,16-/m1/s1