EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2[Sn](C)([C@H]3C[C@H]4CC[C@@]3(C4(C)C)C)I
InChI: InChI=1S/2C10H17.CH3.HI.Sn/c2*1-9(2)8-4-6-10(9,3)7-5-8;;;/h2*6,8H,4-5,7H2,1-3H3;1H3;1H;/q;;;;+1/p-1/t2*8-,10+;;;/m00.../s1
SMILES: CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)O)OC(=O)NC5=CC=CC=C5
InChI: InChI=1S/C23H24N2O4/c1-25-12-11-23-10-9-17(28-22(27)24-16-5-3-2-4-6-16)13-19(23)29-21-18(26)8-7-15(14-25)20(21)23/h2-10,17,19,26H,11-14H2,1H3,(H,24,27)/t17-,19-,23-/m0/s1
SMILES: CCOC1=CC=C(C=C1)OCC(=O)NNC(=S)N[C@H]2CCC[C@H]([C@@H]2C)C
InChI: InChI=1S/C19H29N3O3S/c1-4-24-15-8-10-16(11-9-15)25-12-18(23)21-22-19(26)20-17-7-5-6-13(2)14(17)3/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,21,23)(H2,20,22,26)/t13-,14+,17+/m1/s1
SMILES: C[C@H]1[C@H]([C@@H]([C@H](N1C(=O)OCC2=CC=CC=C2)CNOCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C35H38N2O5/c1-27-33(39-23-28-14-6-2-7-15-28)34(40-24-29-16-8-3-9-17-29)32(22-36-42-26-31-20-12-5-13-21-31)37(27)35(38)41-25-30-18-10-4-11-19-30/h2-21,27,32-34,36H,22-26H2,1H3/t27-,32+,33+,34+/m0/s1
SMILES: CC(CC1=CC=CC=C1)C(C(=C)CC[C@]23[C@@H]([C@H]([C@](O2)([C@@]([C@H](O3)C(=O)O)(C(=O)O)O)C(=O)O)O)O)OC(=O)C
InChI: InChI=1S/C25H30O13/c1-12(16(36-14(3)26)13(2)11-15-7-5-4-6-8-15)9-10-23-17(27)18(28)25(38-23,22(33)34)24(35,21(31)32)19(37-23)20(29)30/h4-8,13,16-19,27-28,35H,1,9-11H2,2-3H3,(H,29,30)(H,31,32)(H,33,34)/t13?,16?,17-,18-,19-,23-,24-,25-/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@H](CC[C@@]2(CC3=C1N=C(S3)NC(=O)CSC)C)[C@H](C)C(=O)N(C)CCC#N)O
InChI: InChI=1S/C23H34N4O3S2/c1-13(21(30)27(4)10-6-9-24)15-7-8-23(3)11-16-19(14(2)18(23)20(15)29)26-22(32-16)25-17(28)12-31-5/h13-15,18,20,29H,6-8,10-12H2,1-5H3,(H,25,26,28)/t13-,14-,15+,18+,20-,23+/m0/s1
SMILES: C1CCC(CC1)CC#CC2=CC3=C(C=C2)NC(=O)[C@]34[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)O
InChI: InChI=1S/C44H42N2O7/c47-25-26-52-33-22-20-32(21-23-33)40-44(34-27-29(19-24-35(34)45-43(44)51)14-10-13-28-11-4-1-5-12-28)36(41(48)49)38-42(50)53-39(31-17-8-3-9-18-31)37(46(38)40)30-15-6-2-7-16-30/h2-3,6-9,15-24,27-28,36-40,47H,1,4-5,11-13,25-26H2,(H,45,51)(H,48,49)/t36-,37-,38-,39+,40+,44-/m0/s1
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N3C(=O)[C@@H]4CCCC[C@H]4C3=O
InChI: InChI=1S/C22H22N2O6S/c1-14(25)23-15-6-12-18(13-7-15)31(28,29)30-17-10-8-16(9-11-17)24-21(26)19-4-2-3-5-20(19)22(24)27/h6-13,19-20H,2-5H2,1H3,(H,23,25)/t19-,20-/m1/s1
SMILES: C1C[C@H]2[C@@H](N(N=C2/C(=C/C3=CC=CC=C3)/C1)C(=O)/C=C/C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C29H26N2O/c32-27(20-19-22-11-4-1-5-12-22)31-29(24-15-8-3-9-16-24)26-18-10-17-25(28(26)30-31)21-23-13-6-2-7-14-23/h1-9,11-16,19-21,26,29H,10,17-18H2/b20-19+,25-21+/t26-,29+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@H]3C[NH+](CC=C3[C@@H](C(=N)C2(C#N)C#N)C#N)C(C)C
InChI: InChI=1S/C22H23N5/c1-14(2)27-9-8-17-18(10-23)21(26)22(12-24,13-25)20(19(17)11-27)16-6-4-15(3)5-7-16/h4-8,14,18-20,26H,9,11H2,1-3H3/p+1/t18-,19-,20-/m0/s1
SMILES: COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O
InChI: InChI=1S/C25H23NO6/c1-31-19-9-7-14(8-10-19)20(27)13-32-25(30)17-3-2-4-18(12-17)26-23(28)21-15-5-6-16(11-15)22(21)24(26)29/h2-4,7-10,12,15-16,21-22H,5-6,11,13H2,1H3/t15-,16+,21-,22-/m0/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@](CC2=NN1)(C)O)C(=O)C)C3=CC=C(C=C3)N(C)C
InChI: InChI=1S/C19H25N3O2/c1-11-16-15(21-20-11)10-19(3,24)18(12(2)23)17(16)13-6-8-14(9-7-13)22(4)5/h6-9,17-18,24H,10H2,1-5H3,(H,20,21)/t17-,18+,19+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)[C@H]4CO[Si](O[Si](O4)(C(C)C)C(C)C)(C(C)C)C(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C31H57N3O10SSi3/c1-18(2)47(19(3)4)39-16-23(41-48(44-47,20(5)6)21(7)8)25-31(24(32)17-45(37,38)43-31)26(42-46(13,14)30(10,11)12)28(40-25)34-15-22(9)27(35)33-29(34)36/h15,17-21,23,25-26,28H,16,32H2,1-14H3,(H,33,35,36)/t23-,25-,26+,28-,31?/m1/s1
SMILES: C1OC2=C(O1)C=C(C=C2)N3C(=O)[C@H]4[C@H](C3=O)[C@@H]([NH+]5[C@@H]4C6=CC=CC=C6C=C5)C(=O)N
InChI: InChI=1S/C22H17N3O5/c23-20(26)19-17-16(18-13-4-2-1-3-11(13)7-8-24(18)19)21(27)25(22(17)28)12-5-6-14-15(9-12)30-10-29-14/h1-9,16-19H,10H2,(H2,23,26)/p+1/t16-,17-,18+,19+/m0/s1
SMILES: C1[C@@H]2[C@@H](CS1(=O)=O)SC(=NC(=O)CC3=CC=CC=C3)N2C4=CC(=CC=C4)F
InChI: InChI=1S/C19H17FN2O3S2/c20-14-7-4-8-15(10-14)22-16-11-27(24,25)12-17(16)26-19(22)21-18(23)9-13-5-2-1-3-6-13/h1-8,10,16-17H,9,11-12H2/t16-,17-/m1/s1
SMILES: CC(C)N1C[C@]23C=C[C@H](O2)[C@H]([C@@H]3C1=O)C(=O)OC
InChI: InChI=1S/C13H17NO4/c1-7(2)14-6-13-5-4-8(18-13)9(12(16)17-3)10(13)11(14)15/h4-5,7-10H,6H2,1-3H3/t8-,9+,10+,13-/m0/s1
SMILES: CC1=C2C(=C(C=C1)C(=O)OC)[C@H]3C=CC[C@H]3[C@@H](N2)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C21H20ClNO2/c1-12-6-11-17(21(24)25-2)18-15-4-3-5-16(15)20(23-19(12)18)13-7-9-14(22)10-8-13/h3-4,6-11,15-16,20,23H,5H2,1-2H3/t15-,16+,20-/m0/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)C
InChI: InChI=1S/C20H24N2O3/c1-11-4-3-5-15(12(11)2)21-16(23)8-9-22-19(24)17-13-6-7-14(10-13)18(17)20(22)25/h3-5,13-14,17-18H,6-10H2,1-2H3,(H,21,23)/t13-,14-,17-,18-/m0/s1
SMILES: C/C=C(\C=C(/C)\C=C\C=C\C=C(/C)\C(=O)[C@@]12[C@@H](O1)[C@](NC2=O)(CCO)OCC[Se]C3=CC=CC=C3)/C(=O)OC
InChI: InChI=1S/C30H35NO7Se/c1-5-23(26(34)36-4)20-21(2)12-8-6-9-13-22(3)25(33)30-27(38-30)29(16-17-32,31-28(30)35)37-18-19-39-24-14-10-7-11-15-24/h5-15,20,27,32H,16-19H2,1-4H3,(H,31,35)/b9-6+,12-8+,21-20+,22-13+,23-5+/t27-,29-,30-/m0/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC(=C(C(=C8)Br)O)OC)C(=O)N(C7=O)CC9=CC=CS9)C
InChI: InChI=1S/C40H34BrClN4O6S2/c1-18-24-14-20(42)7-10-30(24)54-35(18)28-16-31(44(3)43-28)46-37(49)26-15-25-22(8-9-23-32(25)38(50)45(36(23)48)17-21-6-5-11-53-21)33(40(26,2)39(46)51)19-12-27(41)34(47)29(13-19)52-4/h5-8,10-14,16,23,25-26,32-33,47H,9,15,17H2,1-4H3/t23-,25+,26-,32-,33-,40+/m0/s1
SMILES: C1CCN(CC1)C(=O)[C@@H]2CC=CC[C@H]2C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C19H23N3O4/c23-18(20-14-7-6-8-15(13-14)22(25)26)16-9-2-3-10-17(16)19(24)21-11-4-1-5-12-21/h2-3,6-8,13,16-17H,1,4-5,9-12H2,(H,20,23)/t16-,17-/m1/s1
SMILES: CC(C)[C@H]1[C@@H]([C@@](NC(=O)O1)(C)CC(=O)OCC(C)(C)C)C2=CC=CC=C2
InChI: InChI=1S/C21H31NO4/c1-14(2)18-17(15-10-8-7-9-11-15)21(6,22-19(24)26-18)12-16(23)25-13-20(3,4)5/h7-11,14,17-18H,12-13H2,1-6H3,(H,22,24)/t17-,18-,21+/m0/s1
SMILES: C1CN(CCC1(C2=C3C(=CC=C2)OCCO3)O)[C@H]4[C@@H](CC5=C4C=CC(=C5)F)O
InChI: InChI=1S/C22H24FNO4/c23-15-4-5-16-14(12-15)13-18(25)20(16)24-8-6-22(26,7-9-24)17-2-1-3-19-21(17)28-11-10-27-19/h1-5,12,18,20,25-26H,6-11,13H2/t18-,20-/m1/s1
SMILES: C[C@]12CCC3(C[C@@]1([C@@H](C[C@@H]4[C@@H]2CC[C@]5([C@H]4CCC56OCCO6)C)C#C)O)OCCO3
InChI: InChI=1S/C25H36O5/c1-4-17-15-18-19(5-7-22(3)20(18)6-8-25(22)29-13-14-30-25)21(2)9-10-23(16-24(17,21)26)27-11-12-28-23/h1,17-20,26H,5-16H2,2-3H3/t17-,18-,19+,20+,21-,22+,24+/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2CC(=O)OCC(=O)NC3=C(C=CC=C3Cl)C(F)(F)F
InChI: InChI=1S/C18H19ClF3NO3/c19-14-3-1-2-13(18(20,21)22)17(14)23-15(24)9-26-16(25)8-12-7-10-4-5-11(12)6-10/h1-3,10-12H,4-9H2,(H,23,24)/t10-,11+,12-/m0/s1
SMILES: COCC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@@H]2S1)CC3=CC=C(C=C3)Cl
InChI: InChI=1S/C15H17ClN2O4S2/c1-22-7-14(19)17-15-18(6-10-2-4-11(16)5-3-10)12-8-24(20,21)9-13(12)23-15/h2-5,12-13H,6-9H2,1H3/t12-,13+/m1/s1
SMILES: C[C@H]1[C@H](OC(=O)[C@@H]([C@H]1O)C)C/C=C/[C@@H]2[C@@H]([C@@H]([C@H]([C@H]2[C@@](C)(C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)N)O)O)C)O)C
InChI: InChI=1S/C33H55NO8/c1-10-11-13-17(2)30(42-32(34)39)22(7)27(35)18(3)16-33(9,40)26-21(6)28(36)19(4)24(26)14-12-15-25-20(5)29(37)23(8)31(38)41-25/h10-14,17-30,35-37,40H,1,15-16H2,2-9H3,(H2,34,39)/b13-11-,14-12+/t17-,18-,19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,29-,30-,33+/m0/s1
SMILES: C1CCN[C@@H]2[C@@]3(CC/C=C\C1)CN4CCCC/C=C\CC[C@@]2(C=C(C3CC4)C5=NC=CC6=C5NC7=C6C=CC=C7O)O
InChI: InChI=1S/C36H46N4O2/c41-30-15-13-14-26-27-16-21-37-32(33(27)39-31(26)30)28-24-36(42)19-10-6-2-4-8-12-22-40-23-17-29(28)35(25-40)18-9-5-1-3-7-11-20-38-34(35)36/h1-2,5-6,13-16,21,24,29,34,38-39,41-42H,3-4,7-12,17-20,22-23,25H2/b5-1-,6-2-/t29?,34-,35+,36+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]4([C@@H]3CC=C5[C@]4(CC[C@@]6([C@H]5CC(CC6)(C)C)C(=O)O)C)C)C)CO)O)O
InChI: InChI=1S/C38H61NO8/c1-21(41)39-28-30(43)29(42)24(20-40)46-31(28)47-27-12-13-35(6)25(34(27,4)5)11-14-37(8)26(35)10-9-22-23-19-33(2,3)15-17-38(23,32(44)45)18-16-36(22,37)7/h9,23-31,40,42-43H,10-20H2,1-8H3,(H,39,41)(H,44,45)/t23-,24+,25-,26+,27-,28+,29+,30+,31-,35-,36+,37+,38-/m0/s1
SMILES: CC1=CC=C(C=C1)[S@](=O)C[C@]23C=CC(=O)C[C@H]2[C@H]4[C@@H](O3)C([C@@H]5[C@H](C4=O)[C@H]6CC(=O)C=C[C@]6(O5)C[S@](=O)C7=CC=C(C=C7)C)(C[S@@](=O)C8=CC=C(C=C8)C)O
InChI: InChI=1S/C42H42O9S3/c1-25-4-10-30(11-5-25)52(47)22-40-18-16-28(43)20-33(40)35-37(45)36-34-21-29(44)17-19-41(34,23-53(48)31-12-6-26(2)7-13-31)51-39(36)42(46,38(35)50-40)24-54(49)32-14-8-27(3)9-15-32/h4-19,33-36,38-39,46H,20-24H2,1-3H3/t33-,34+,35+,36-,38+,39-,40+,41-,42?,52+,53-,54-/m1/s1
SMILES: CC(=O)N[C@H](C[Se][C@H]1[C@H]2CC[C@@](C1=O)(C2(C)C)C)C3=CC=CC=C3
InChI: InChI=1S/C20H27NO2Se/c1-13(22)21-16(14-8-6-5-7-9-14)12-24-17-15-10-11-20(4,18(17)23)19(15,2)3/h5-9,15-17H,10-12H2,1-4H3,(H,21,22)/t15-,16-,17+,20+/m1/s1
SMILES: C1CC[C@@]2(CCN([C@H]([C@H]2C1)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5Cl)O
InChI: InChI=1S/C23H26ClNO3/c24-19-7-2-1-5-17(19)14-25-12-11-23(26)10-4-3-6-18(23)22(25)16-8-9-20-21(13-16)28-15-27-20/h1-2,5,7-9,13,18,22,26H,3-4,6,10-12,14-15H2/t18-,22+,23+/m1/s1
SMILES: CC(=O)C1=CC2=C(C=C1)N[C@H]([C@H]3[C@@H]2C=CC3)C4=CC(=C(C=C4)OC)[N+](=O)[O-]
InChI: InChI=1S/C21H20N2O4/c1-12(24)13-6-8-18-17(10-13)15-4-3-5-16(15)21(22-18)14-7-9-20(27-2)19(11-14)23(25)26/h3-4,6-11,15-16,21-22H,5H2,1-2H3/t15-,16+,21-/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@H](C[C@@H](C3=C(C(=C(C1=C23)OC)O)C)C=C(C)C)C
InChI: InChI=1S/C21H30O2/c1-11(2)9-15-10-13(4)16-8-7-12(3)17-19(16)18(15)14(5)20(22)21(17)23-6/h9,12-13,15-16,22H,7-8,10H2,1-6H3/t12-,13-,15-,16+/m0/s1
SMILES: CC[C@H]1CC[C@@H]2[C@]1(CC[C@H]3[C@H]2CC=C4[C@]3(C[C@@H]([C@H](C4)OC(=O)C)N)C)C
InChI: InChI=1S/C23H37NO2/c1-5-15-7-9-18-17-8-6-16-12-21(26-14(2)25)20(24)13-23(16,4)19(17)10-11-22(15,18)3/h6,15,17-21H,5,7-13,24H2,1-4H3/t15-,17-,18-,19-,20-,21-,22-,23+/m0/s1
SMILES: CN(C)C(=O)C=CC1=CC=C(C=C1)CN2[C@H]3C(=O)O[C@@H]4C[C@]3([C@H](O2)[C@@H]5[C@H]4OC(O5)(C6CC6)C7CC7)C(=O)N(C)[C@H](CC8=CC=CC=C8)C(=O)NCCO
InChI: InChI=1S/C40H48N4O9/c1-42(2)31(46)18-13-24-9-11-26(12-10-24)23-44-34-37(48)50-30-22-39(34,35(53-44)33-32(30)51-40(52-33,27-14-15-27)28-16-17-28)38(49)43(3)29(36(47)41-19-20-45)21-25-7-5-4-6-8-25/h4-13,18,27-30,32-35,45H,14-17,19-23H2,1-3H3,(H,41,47)/t29-,30-,32+,33+,34+,35-,39+/m1/s1
SMILES: C[C@H](C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)O[C@@H]2[C@@H](C(=O)C2(Cl)Cl)CC(C)C
InChI: InChI=1S/C25H38Cl2O2/c1-13(2)10-21-23(28)25(26,27)24(21)29-17(9)22-19(15(5)6)11-18(14(3)4)12-20(22)16(7)8/h11-17,21,24H,10H2,1-9H3/t17-,21-,24-/m1/s1
SMILES: COC(=O)C1=CC=CC2=C1N[C@H]([C@@H]3[C@H]2C=CC3)C4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C21H19NO4/c1-26-21(25)17-7-3-6-16-14-4-2-5-15(14)18(22-19(16)17)12-8-10-13(11-9-12)20(23)24/h2-4,6-11,14-15,18,22H,5H2,1H3,(H,23,24)/t14-,15+,18+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H]1CO[C@H]([C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H](CO2)OCC3=CC=C(C=C3)OC)OCC4=CC=C(C=C4)OC)OC(=O)C5=CC=C(C=C5)OC)OC(=O)C)OC(=N)C(Cl)(Cl)Cl
InChI: InChI=1S/C44H56Cl3NO14Si/c1-8-63(9-2,10-3)62-35-26-57-42(61-43(48)44(45,46)47)39(58-27(4)49)37(35)60-41-38(59-40(50)30-15-21-33(53-7)22-16-30)36(55-24-29-13-19-32(52-6)20-14-29)34(25-56-41)54-23-28-11-17-31(51-5)18-12-28/h11-22,34-39,41-42,48H,8-10,23-26H2,1-7H3/t34-,35+,36+,37+,38-,39-,41+,42+/m1/s1
SMILES: CC1=C(C=CC=C1Cl)NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C18H19ClN2O3/c1-11-14(19)7-4-8-15(11)20-16(22)9-10-21-17(23)12-5-2-3-6-13(12)18(21)24/h2-4,7-8,12-13H,5-6,9-10H2,1H3,(H,20,22)/t12-,13+
SMILES: CC1=NC2=CC=CC=C2[C@H]3[C@@H]1[C@]4(C[C@@H]3C5=CC=CC=C5N4)C
InChI: InChI=1S/C20H20N2/c1-12-19-18(14-8-4-5-9-16(14)21-12)15-11-20(19,2)22-17-10-6-3-7-13(15)17/h3-10,15,18-19,22H,11H2,1-2H3/t15-,18-,19-,20-/m1/s1
SMILES: C1=CC(=CC(=C1)Cl)CO[N+]2=C(C3=C(N=C2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N.[O-]Cl(=O)(=O)=O
InChI: InChI=1S/C17H18ClN5O5.ClHO4/c18-10-3-1-2-9(4-10)6-27-23-8-21-16-12(15(23)19)20-7-22(16)17-14(26)13(25)11(5-24)28-17;2-1(3,4)5/h1-4,7-8,11,13-14,17,19,24-26H,5-6H2;(H,2,3,4,5)/t11-,13-,14-,17-;/m1./s1
SMILES: CC(C)C1=CC2=C(C=C1)[C@@]3(CCC[C@]([C@H]3CC2)(C)CN4C(=O)NNC4=O)C
InChI: InChI=1S/C22H31N3O2/c1-14(2)15-6-8-17-16(12-15)7-9-18-21(3,10-5-11-22(17,18)4)13-25-19(26)23-24-20(25)27/h6,8,12,14,18H,5,7,9-11,13H2,1-4H3,(H,23,26)(H,24,27)/t18-,21-,22+/m1/s1
SMILES: C1[C@H]([C@@H](CS1)OC(=O)C2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H16BrNO3S/c19-14-8-6-13(7-9-14)18(22)23-16-11-24-10-15(16)20-17(21)12-4-2-1-3-5-12/h1-9,15-16H,10-11H2,(H,20,21)/t15-,16-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@H]([C@@H](O1)N2C=NC3=NC=NC(=C32)N)OC(=O)C)Br
InChI: InChI=1S/C14H16BrN5O5/c1-6(21)23-3-8-9(15)11(24-7(2)22)14(25-8)20-5-19-13-10(20)12(16)17-4-18-13/h4-5,8-9,11,14H,3H2,1-2H3,(H2,16,17,18)/t8-,9+,11-,14-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CCC(=O)C4(C)C)C
InChI: InChI=1S/C21H30O2/c1-19(2)16-7-5-13-14-6-8-18(23)21(14,4)11-9-15(13)20(16,3)12-10-17(19)22/h7,13-15H,5-6,8-12H2,1-4H3/t13-,14-,15-,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(=C5)Cl)O)OC)C(=O)N(C4=O)C
InChI: InChI=1S/C25H22ClNO6/c1-10-6-17(28)21-15(22(10)29)9-14-12(4-5-13-20(14)25(32)27(2)24(13)31)19(21)11-7-16(26)23(30)18(8-11)33-3/h4,6-8,13-14,19-20,30H,5,9H2,1-3H3/t13-,14+,19-,20-/m0/s1
SMILES: C[C@@H]1CC2=C(C3=C(C[C@@H]1C)C(=C(C(=C3OC)OC)O)I)C(=C(C(=C2I)O)OC)OC
InChI: InChI=1S/C22H26I2O6/c1-9-7-11-13(19(27-3)21(29-5)17(25)15(11)23)14-12(8-10(9)2)16(24)18(26)22(30-6)20(14)28-4/h9-10,25-26H,7-8H2,1-6H3/t9-,10+
SMILES: C[C@@H]1C[C@@]([C@@H](CN1C)C)(CCNCC2=CC=C(C=C2)OC)C3=CC=CC=C3
InChI: InChI=1S/C24H34N2O/c1-19-18-26(3)20(2)16-24(19,22-8-6-5-7-9-22)14-15-25-17-21-10-12-23(27-4)13-11-21/h5-13,19-20,25H,14-18H2,1-4H3/t19-,20-,24-/m1/s1
SMILES: CCOC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@H]3CC(=NOC(C)(C)C)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]3(OC6=C5C=C(C=C6)OC7=CC8=CC=CC=C8C=C7)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C52H62N2O10/c1-6-26-61-52-47(54(50(57)58-7-2)32-34-18-22-45-46(27-34)60-33-59-45)31-43(53-64-51(3,4)5)41-29-37(16-10-12-24-55)40(17-11-13-25-56)48(49(41)52)42-30-39(21-23-44(42)63-52)62-38-20-19-35-14-8-9-15-36(35)28-38/h6,8-9,14-15,18-23,27-30,37,40,47-49,55-56H,1,7,10-13,16-17,24-26,31-33H2,2-5H3/t37-,40+,47-,48+,49+,52+/m0/s1
SMILES: C1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)O
InChI: InChI=1S/C19H16N4O/c20-9-16-14-3-1-2-4-15(14)17(12-5-7-13(24)8-6-12)19(10-21,11-22)18(16)23/h3,5-8,15,17,24H,1-2,4,23H2/t15-,17+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O)COCC3=CC=CC=C3)OCCOCCOCCOCCOCCOCCBr)NC(=O)C)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C54H72BrNO15/c1-40-49(66-36-43-17-9-4-10-18-43)51(67-37-44-19-11-5-12-20-44)52(68-38-45-21-13-6-14-22-45)54(69-40)71-50-47(56-41(2)57)53(70-46(48(50)58)39-64-35-42-15-7-3-8-16-42)65-34-33-63-32-31-62-30-29-61-28-27-60-26-25-59-24-23-55/h3-22,40,46-54,58H,23-39H2,1-2H3,(H,56,57)/t40-,46+,47+,48+,49+,50+,51+,52-,53+,54-/m0/s1
SMILES: CCC[C@@H]1[C@@H](N[C@@H]([C@@H](C1=O)C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C21H23Cl2NO/c1-3-4-18-20(15-7-11-17(23)12-8-15)24-19(13(2)21(18)25)14-5-9-16(22)10-6-14/h5-13,18-20,24H,3-4H2,1-2H3/t13-,18+,19-,20-/m0/s1
SMILES: C[C@H]([C@H]1[C@H](NC1=O)SC(=S)S[C@H]2CC[S@@](=O)C2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C16H29NO3S4Si/c1-10(20-25(5,6)16(2,3)4)12-13(18)17-14(12)23-15(21)22-11-7-8-24(19)9-11/h10-12,14H,7-9H2,1-6H3,(H,17,18)/t10-,11+,12-,14-,24-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3
InChI: InChI=1S/C23H29N3O3/c1-17-7-6-10-21(18(17)2)25-22(27)16-29-23(28)12-11-20-13-24-26(15-20)14-19-8-4-3-5-9-19/h3-5,8-9,11-13,15,17-18,21H,6-7,10,14,16H2,1-2H3,(H,25,27)/b12-11+/t17-,18-,21+/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)NCC4=CC=CC=C4)CN5CCC6(CC5)OCCO6
InChI: InChI=1S/C34H41N3O6/c1-24-30(22-37-17-15-34(16-18-37)40-19-20-41-34)42-32(43-31(24)27-9-7-26(23-38)8-10-27)28-11-13-29(14-12-28)36-33(39)35-21-25-5-3-2-4-6-25/h2-14,24,30-32,38H,15-23H2,1H3,(H2,35,36,39)/t24-,30+,31+,32+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@@H]3[C@@H]([C@@H]4[C@H](O3)OC(O4)(C)C)OC(O2)(C)C
InChI: InChI=1S/C19H26O8S/c1-11-6-8-12(9-7-11)28(20,21)22-10-13-14-15(25-18(2,3)24-13)16-17(23-14)27-19(4,5)26-16/h6-9,13-17H,10H2,1-5H3/t13-,14-,15+,16-,17-/m1/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\[C@@H]3C4=C(CC[C@@H](C4)O)COO3)C
InChI: InChI=1S/C27H44O4/c1-18(7-5-13-26(2,3)29)23-11-12-24-19(8-6-14-27(23,24)4)15-25-22-16-21(28)10-9-20(22)17-30-31-25/h15,18,21,23-25,28-29H,5-14,16-17H2,1-4H3/b19-15+/t18-,21+,23-,24+,25-,27-/m1/s1
SMILES: CC1=CC=C(C=C1)NC(=O)[C@H]2[C@@H](C3CCC2CC3)C(=O)[O-]
InChI: InChI=1S/C17H21NO3/c1-10-2-8-13(9-3-10)18-16(19)14-11-4-6-12(7-5-11)15(14)17(20)21/h2-3,8-9,11-12,14-15H,4-7H2,1H3,(H,18,19)(H,20,21)/p-1/t11?,12?,14-,15-/m1/s1
SMILES: C1[C@H]([C@@H](C[S+]1C[C@@H]([C@@H](CO)OS(=O)(=O)O)O)O)O
InChI: InChI=1S/C8H16O8S2/c9-1-8(16-18(13,14)15)7(12)4-17-2-5(10)6(11)3-17/h5-12H,1-4H2/p+1/t5-,6-,7+,8-/m1/s1
SMILES: CN(CC1=CC=CC=C1)C(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H24N2O5/c1-21(11-14-7-3-2-4-8-14)17(23)13-27-18(24)12-22-19(25)15-9-5-6-10-16(15)20(22)26/h2-4,7-8,15-16H,5-6,9-13H2,1H3/t15-,16+
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)CC2=CC=CC=C2F
InChI: InChI=1S/C17H24FN3OS/c1-11-6-5-9-15(12(11)2)19-17(23)21-20-16(22)10-13-7-3-4-8-14(13)18/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3,(H,20,22)(H2,19,21,23)/t11-,12-,15-/m1/s1
SMILES: CC1([C@H]2[C@H](O2)C3=C(O1)C=CC(=C3)[N+](=O)[O-])C
InChI: InChI=1S/C11H11NO4/c1-11(2)10-9(15-10)7-5-6(12(13)14)3-4-8(7)16-11/h3-5,9-10H,1-2H3/t9-,10-/m1/s1
SMILES: C[C@@H](C1=CC=C(C=C1)Br)N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@H]4C2=O)C(=O)OC
InChI: InChI=1S/C18H18BrNO4/c1-10(11-3-5-12(19)6-4-11)20-9-18-8-7-13(24-18)14(17(22)23-2)15(18)16(20)21/h3-8,10,13-15H,9H2,1-2H3/t10-,13+,14-,15-,18+/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NC[C@@]23C=C[C@@H](O2)[C@@H]4[C@@H]3C(=O)N(C4=O)C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C26H25N3O6/c1-25(2,3)16-6-4-15(5-7-16)22(30)27-14-26-13-12-19(35-26)20-21(26)24(32)28(23(20)31)17-8-10-18(11-9-17)29(33)34/h4-13,19-21H,14H2,1-3H3,(H,27,30)/t19-,20-,21-,26-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OC2(CCCCC2)OC)/[C@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CC3=CC=C(C=C3)O)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)C)O)(C)O
InChI: InChI=1S/C44H72N2O13/c1-12-33-43(8,53)38(50)27(4)35(45-59-44(54-11)20-14-13-15-21-44)25(2)24-42(7,52)39(58-41-36(49)32(46(9)10)22-26(3)55-41)28(5)37(29(6)40(51)56-33)57-34(48)23-30-16-18-31(47)19-17-30/h16-19,25-29,32-33,36-39,41,47,49-50,52-53H,12-15,20-24H2,1-11H3/b45-35+/t25-,26+,27-,28-,29+,32-,33+,36+,37-,38+,39+,41-,42-,43+/m0/s1
SMILES: CCCCNC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)C3=CC=CC=C3)OC(O2)(C)C
InChI: InChI=1S/C19H26N2O4/c1-4-5-11-20-17(22)15-16-14(24-19(2,3)25-16)12-21(15)18(23)13-9-7-6-8-10-13/h6-10,14-16H,4-5,11-12H2,1-3H3,(H,20,22)/t14-,15-,16-/m0/s1
SMILES: C1CCCN(CC1)C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)O
InChI: InChI=1S/C15H23NO3/c17-14(16-7-3-1-2-4-8-16)12-10-5-6-11(9-10)13(12)15(18)19/h10-13H,1-9H2,(H,18,19)/t10-,11+,12+,13+/m1/s1
SMILES: C/C=C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@H](O[C@@H]([C@H]1OC)C)OCC23C[C@@H]4[C@@H](CC[C@H]4[C@@]5([C@]2(C(=CC3C5)C(C)C)C(=O)O)C=O)C)O
InChI: InChI=1S/C34H48O9/c1-8-9-10-20(5)29(37)43-28-26(36)30(42-21(6)27(28)40-7)41-17-33-15-23-19(4)11-12-24(23)32(16-35)14-22(33)13-25(18(2)3)34(32,33)31(38)39/h8-10,13,16,18-19,21-24,26-28,30,36H,11-12,14-15,17H2,1-7H3,(H,38,39)/b9-8+,20-10-/t19-,21-,22?,23-,24-,26+,27-,28+,30-,32+,33?,34+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]2[C@@H]([C@H]([C@@H](O1)O[C@@H]3CO[C@H]([C@@H]([C@H]3OC(=O)C)OC(=O)C)OCC[Si](C)(C)C)OC(=O)C)OC(O2)(C)C
InChI: InChI=1S/C27H44O14Si/c1-14(28)33-12-19-21-22(41-27(5,6)40-21)24(37-17(4)31)26(39-19)38-18-13-34-25(32-10-11-42(7,8)9)23(36-16(3)30)20(18)35-15(2)29/h18-26H,10-13H2,1-9H3/t18-,19-,20+,21+,22+,23-,24-,25-,26-/m1/s1
SMILES: COC1=CC=C(C=C1)CO[C@H]2[C@H]3[C@@H]([C@H]([C@H]4[C@@H]2OC5(O4)CCCCC5)O)C6=CC7=C(C=C6CO3)OCO7
InChI: InChI=1S/C28H32O8/c1-30-18-7-5-16(6-8-18)13-31-26-24-22(19-12-21-20(33-15-34-21)11-17(19)14-32-24)23(29)25-27(26)36-28(35-25)9-3-2-4-10-28/h5-8,11-12,22-27,29H,2-4,9-10,13-15H2,1H3/t22-,23-,24-,25+,26+,27+/m1/s1
SMILES: CC(C)CCC(=O)O[C@H]1C[C@@H]2[C@](CC[C@@H]([C@@]2(C)COC(=O)C)OC(=O)C)([C@@H]3[C@@]1(OC4=C([C@@H]3O)C(=O)OC(=C4)C5=CN=CC=C5)C)C
InChI: InChI=1S/C35H45NO10/c1-19(2)10-11-28(39)45-27-16-25-33(5,13-12-26(43-21(4)38)34(25,6)18-42-20(3)37)31-30(40)29-24(46-35(27,31)7)15-23(44-32(29)41)22-9-8-14-36-17-22/h8-9,14-15,17,19,25-27,30-31,40H,10-13,16,18H2,1-7H3/t25-,26+,27+,30+,31-,33+,34+,35-/m1/s1
SMILES: C1C=C[C@H]2[C@H]1CN3[C@@H]([C@@H]4CC=C[C@@H]4C5=CC(=CC2=C53)[N+](=O)[O-])C6=CC=CC=C6Cl
InChI: InChI=1S/C24H21ClN2O2/c25-22-10-2-1-6-19(22)23-18-9-4-8-17(18)21-12-15(27(28)29)11-20-16-7-3-5-14(16)13-26(23)24(20)21/h1-4,6-8,10-12,14,16-18,23H,5,9,13H2/t14-,16+,17+,18-,23+/m1/s1
SMILES: CCCCC[C@@H]1[C@@H](/C(=C(\[Si](C)(C)C)/Cl)/C(=O)O1)C=C
InChI: InChI=1S/C15H25ClO2Si/c1-6-8-9-10-12-11(7-2)13(15(17)18-12)14(16)19(3,4)5/h7,11-12H,2,6,8-10H2,1,3-5H3/b14-13+/t11-,12+/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@H](NC3=C2C=C(C=C3)NC(=O)C4=C(C=C(C=C4)Cl)Cl)C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C25H19Cl2N3O3/c26-15-6-10-20(22(27)12-15)25(31)28-16-7-11-23-21(13-16)18-2-1-3-19(18)24(29-23)14-4-8-17(9-5-14)30(32)33/h1-2,4-13,18-19,24,29H,3H2,(H,28,31)/t18-,19+,24-/m1/s1
SMILES: C1CCC2=NN([C@@]([C@H]2C1)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)N
InChI: InChI=1S/C15H16F3N3O2/c16-15(17,18)14(23)11-3-1-2-4-12(11)20-21(14)13(22)9-5-7-10(19)8-6-9/h5-8,11,23H,1-4,19H2/t11-,14+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C4O[C@@H]([C@H]([C@@H](O4)C5=CC=C(C=C5)CO)C6=CC=CC=C6)CN7C=NC(=C7Cl)Cl
InChI: InChI=1S/C44H42Cl2N4O6S/c1-29-12-22-36(23-13-29)57(53,54)49-37(24-30-8-4-2-5-9-30)43(52)47-25-31-14-20-35(21-15-31)44-55-38(26-50-28-48-41(45)42(50)46)39(33-10-6-3-7-11-33)40(56-44)34-18-16-32(27-51)17-19-34/h2-23,28,37-40,44,49,51H,24-27H2,1H3,(H,47,52)/t37-,38-,39-,40+,44?/m1/s1
SMILES: CC1(O[C@H]2[C@@H](O1)O[C@@H](C2=O)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C
InChI: InChI=1S/C27H26O5/c1-26(2)31-24-23(28)22(30-25(24)32-26)18-29-27(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22,24-25H,18H2,1-2H3/t22-,24-,25-/m1/s1
SMILES: CCOCCCN(C[C@]1(CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)C)O)C(=O)C
InChI: InChI=1S/C27H45NO4/c1-5-32-16-6-15-28(19(2)29)18-27(31)14-13-25(3)20(17-27)7-8-21-22-9-10-24(30)26(22,4)12-11-23(21)25/h20-23,31H,5-18H2,1-4H3/t20-,21-,22-,23-,25-,26-,27+/m0/s1
SMILES: C[C@@]1(CCC/C(=C(\CCCCCl)/NC(=O)C(C)(C)C)/[C@H]1C2=CC=CC=C2)O
InChI: InChI=1S/C23H34ClNO2/c1-22(2,3)21(26)25-19(14-8-9-16-24)18-13-10-15-23(4,27)20(18)17-11-6-5-7-12-17/h5-7,11-12,20,27H,8-10,13-16H2,1-4H3,(H,25,26)/b19-18-/t20-,23+/m1/s1
SMILES: CCCCCCCCCCCCCCCCOC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)[C@H](C(=O)N)O[C@@H]3[C@H]([C@H](C=C(O3)C(=O)N[C@H]4CCC[C@@H](NC4=O)C)O)O)OC
InChI: InChI=1S/C41H65N5O14/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-56-41(54)60-34-31(55-3)32(58-38(34)46-22-21-29(48)45-40(46)53)33(35(42)50)59-39-30(49)27(47)24-28(57-39)37(52)44-26-20-18-19-25(2)43-36(26)51/h21-22,24-27,30-34,38-39,47,49H,4-20,23H2,1-3H3,(H2,42,50)(H,43,51)(H,44,52)(H,45,48,53)/t25-,26-,27-,30-,31+,32-,33+,34+,38+,39+/m0/s1
SMILES: COC1=C(C=C(C=C1)CC2=CNC3=C2C(=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)F
InChI: InChI=1S/C22H24FNO7/c1-29-15-6-5-11(8-13(15)23)7-12-9-24-14-3-2-4-16(18(12)14)30-22-21(28)20(27)19(26)17(10-25)31-22/h2-6,8-9,17,19-22,24-28H,7,10H2,1H3/t17-,19-,20+,21-,22-/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)CS(=O)(=O)C2=CC=C(C=C2)S(=O)CCC3=CC=CC=C3)C(=O)NCC#N
InChI: InChI=1S/C24H28N2O4S2/c25-15-16-26-24(27)23-9-5-4-8-20(23)18-32(29,30)22-12-10-21(11-13-22)31(28)17-14-19-6-2-1-3-7-19/h1-3,6-7,10-13,20,23H,4-5,8-9,14,16-18H2,(H,26,27)/t20-,23+,31?/m0/s1
SMILES: C1CCC(CC1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=CC=CC=C6OCCO)Cl)CBr)Cl
InChI: InChI=1S/C29H31BrCl2N2O6/c30-15-33-26(38)28(31)14-20-17(10-11-19-22(20)25(37)34(24(19)36)16-6-2-1-3-7-16)23(29(28,32)27(33)39)18-8-4-5-9-21(18)40-13-12-35/h4-5,8-10,16,19-20,22-23,35H,1-3,6-7,11-15H2/t19-,20+,22-,23+,28+,29-/m0/s1