EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)NCC4=CN=CC=C4)N=C(S3)NC(=O)COC)(C)CO)O
InChI: InChI=1S/C25H34N4O5S/c1-24-7-6-19(31)25(2,14-30)18(24)10-17-22(29-23(35-17)28-21(33)13-34-3)16(24)9-20(32)27-12-15-5-4-8-26-11-15/h4-5,8,11,16,18-19,30-31H,6-7,9-10,12-14H2,1-3H3,(H,27,32)(H,28,29,33)/t16-,18+,19-,24+,25+/m1/s1
SMILES: CC1(O[C@@H]2C[C@H](O[C@@H]2O1)C(=O)COC(=O)C(C)(C)C)C
InChI: InChI=1S/C14H22O6/c1-13(2,3)12(16)17-7-8(15)9-6-10-11(18-9)20-14(4,5)19-10/h9-11H,6-7H2,1-5H3/t9-,10+,11+/m0/s1
SMILES: CCCCC(C(=O)C(=O)N)NC(=O)C1[C@@H]2[C@@H](C2(C)C)CN1C(=O)[C@H](C3CCCCC3)NC(=O)N[C@H](CN4CCCCS4(=O)=O)C(C)(C)C
InChI: InChI=1S/C34H58N6O7S/c1-7-8-16-23(28(41)29(35)42)36-30(43)27-25-22(34(25,5)6)19-40(27)31(44)26(21-14-10-9-11-15-21)38-32(45)37-24(33(2,3)4)20-39-17-12-13-18-48(39,46)47/h21-27H,7-20H2,1-6H3,(H2,35,42)(H,36,43)(H2,37,38,45)/t22-,23?,24+,25-,26-,27?/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@]13CC[C@@H](C3)C(C2(C)C)OCC4=CC=CC=C4
InChI: InChI=1S/C21H30O/c1-15-9-10-18-20(2,3)19(17-11-12-21(15,18)13-17)22-14-16-7-5-4-6-8-16/h4-8,15,17-19H,9-14H2,1-3H3/t15-,17+,18+,19?,21-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3([C@H]4N2C5=C(C=C4)C=C(C=C5)F)C(=O)C6=CC=CC=C6C3=O)C7=CC=CC=C7
InChI: InChI=1S/C34H24FNO3/c1-20-11-13-22(14-12-20)31(37)30-29(21-7-3-2-4-8-21)34(32(38)25-9-5-6-10-26(25)33(34)39)28-18-15-23-19-24(35)16-17-27(23)36(28)30/h2-19,28-30H,1H3/t28-,29-,30+/m0/s1
SMILES: C1=CC(=CC=C1N[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)N[C@@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O
InChI: InChI=1S/C18H28N2O10/c21-5-9-11(23)13(25)15(27)17(29-9)19-7-1-2-8(4-3-7)20-18-16(28)14(26)12(24)10(6-22)30-18/h1-4,9-28H,5-6H2/t9-,10-,11+,12+,13+,14+,15+,16+,17-,18-/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)CO[C@H]2CC[C@@H]([C@H]2CC/C=C\CCC(=O)O)N3CCCCC3
InChI: InChI=1S/C28H43NO3/c1-28(2,3)23-15-13-22(14-16-23)21-32-26-18-17-25(29-19-9-6-10-20-29)24(26)11-7-4-5-8-12-27(30)31/h4-5,13-16,24-26H,6-12,17-21H2,1-3H3,(H,30,31)/b5-4-/t24-,25+,26+/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C=C(C=C5OC)O)OC)C(=O)N(C4=O)C6CCCCC6
InChI: InChI=1S/C31H33NO7/c1-15-11-22(34)26-21(29(15)35)14-20-18(27(26)28-23(38-2)12-17(33)13-24(28)39-3)9-10-19-25(20)31(37)32(30(19)36)16-7-5-4-6-8-16/h9,11-13,16,19-20,25,27,33H,4-8,10,14H2,1-3H3/t19-,20+,25-,27-/m0/s1
SMILES: B1(O[C@@H]2C[C@H]3C[C@@H]([C@@]2(O1)C)C3(C)C)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CC5=CC(=CC=C5)Cl
InChI: InChI=1S/C32H42BClN2O4/c1-20(2)14-28(33-39-27-19-23-18-26(31(23,3)4)32(27,5)40-33)36-30(38)25(16-21-10-7-6-8-11-21)35-29(37)17-22-12-9-13-24(34)15-22/h6-13,15,20,23,25-28H,14,16-19H2,1-5H3,(H,35,37)(H,36,38)/t23-,25+,26-,27-,28+,32+/m1/s1
SMILES: C1=CC=C(C=C1)CCC2[C@H]([C@@H](C(=O)O2)C#N)C3=CC=CC=C3
InChI: InChI=1S/C19H17NO2/c20-13-16-18(15-9-5-2-6-10-15)17(22-19(16)21)12-11-14-7-3-1-4-8-14/h1-10,16-18H,11-12H2/t16-,17?,18-/m0/s1
SMILES: CC(=O)[C@@H]1[C@H](C2([C@H]3N1C4=C(C=C3)C=C(C=C4)F)C(=O)C5=CC=CC=C5C2=O)C6=C(C=CC(=C6)OC)OC
InChI: InChI=1S/C30H24FNO5/c1-16(33)27-26(22-15-19(36-2)10-12-24(22)37-3)30(28(34)20-6-4-5-7-21(20)29(30)35)25-13-8-17-14-18(31)9-11-23(17)32(25)27/h4-15,25-27H,1-3H3/t25-,26+,27+/m0/s1
SMILES: CCC(=O)CC[C@@H]1[C@H](CC[C@@H]2[C@H]1C(CC2(C)C)C(=O)CC)C
InChI: InChI=1S/C20H34O2/c1-6-14(21)9-10-15-13(3)8-11-17-19(15)16(18(22)7-2)12-20(17,4)5/h13,15-17,19H,6-12H2,1-5H3/t13-,15+,16?,17+,19+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@@H]2C(O1)OC3=CC=CC4=C3C(=CN4CC5=CC=CC=C5)C(=O)O2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C40H63NO7Si3/c1-38(2,3)49(10,11)43-26-31-33(47-50(12,13)39(4,5)6)34(48-51(14,15)40(7,8)9)35-37(45-31)44-30-23-19-22-29-32(30)28(36(42)46-35)25-41(29)24-27-20-17-16-18-21-27/h16-23,25,31,33-35,37H,24,26H2,1-15H3/t31-,33-,34+,35-,37?/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1SCP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O.[Na+].[Na+]
InChI: InChI=1S/C18H29N3O16P2S.2Na/c1-7(23)19-11-14(27)12(25)8(4-22)36-17(11)40-6-38(30,31)37-39(32,33)34-5-9-13(26)15(28)16(35-9)21-3-2-10(24)20-18(21)29;;/h2-3,8-9,11-17,22,25-28H,4-6H2,1H3,(H,19,23)(H,30,31)(H,32,33)(H,20,24,29);;/q;2*+1/p-2/t8-,9-,11-,12-,13-,14-,15-,16-,17-;;/m1../s1
SMILES: CCOC1=CC=CC=C1CN[C@H]2[C@H](N3CCC2CC3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C29H34N2O/c1-2-32-26-16-10-9-15-25(26)21-30-28-24-17-19-31(20-18-24)29(28)27(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,24,27-30H,2,17-21H2,1H3/t28-,29-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)CSC2=NN=C(N2C3=CC=CC(=C3)C)C
InChI: InChI=1S/C20H28N4OS/c1-13-7-5-9-17(11-13)24-16(4)22-23-20(24)26-12-19(25)21-18-10-6-8-14(2)15(18)3/h5,7,9,11,14-15,18H,6,8,10,12H2,1-4H3,(H,21,25)/t14-,15+,18+/m1/s1
SMILES: CN1C[C@H]2C[C@@H](CC[C@]2(C1)C3=CC(=C(C=C3)OC)OC)NC(=O)NC4=CC(=C(C(=C4)F)F)F
InChI: InChI=1S/C24H28F3N3O3/c1-30-12-15-8-16(28-23(31)29-17-10-18(25)22(27)19(26)11-17)6-7-24(15,13-30)14-4-5-20(32-2)21(9-14)33-3/h4-5,9-11,15-16H,6-8,12-13H2,1-3H3,(H2,28,29,31)/t15-,16-,24+/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](OC(=O)[C@H]3N2[C@@H]([C@@]4([C@@H]3C(=O)NC[C@@H](C5=CC=CC=C5)O)C6=C(C=CC(=C6)C#CCNC(=O)N)NC4=O)C7=CC=CC=C7OCCO)C8=CC=CC=C8
InChI: InChI=1S/C47H43N5O8/c48-46(58)49-24-12-13-29-22-23-35-34(27-29)47(45(57)51-35)38(43(55)50-28-36(54)30-14-4-1-5-15-30)40-44(56)60-41(32-18-8-3-9-19-32)39(31-16-6-2-7-17-31)52(40)42(47)33-20-10-11-21-37(33)59-26-25-53/h1-11,14-23,27,36,38-42,53-54H,24-26,28H2,(H,50,55)(H,51,57)(H3,48,49,58)/t36-,38-,39-,40-,41+,42+,47-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O1)[C@H]([C@@H]([C@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C
InChI: InChI=1S/C37H40O6/c1-37(2)42-35-33(40-25-29-19-11-5-12-20-29)31(38-23-27-15-7-3-8-16-27)32(39-24-28-17-9-4-10-18-28)34(36(35)43-37)41-26-30-21-13-6-14-22-30/h3-22,31-36H,23-26H2,1-2H3/t31-,32-,33-,34+,35+,36-/m1/s1
SMILES: C/C/1=C\C=C(/[C@H](C/C(=C/CC[C@@]2([C@H](O2)CC1)C)/C)O)\C(C)C
InChI: InChI=1S/C20H32O2/c1-14(2)17-10-8-15(3)9-11-19-20(5,22-19)12-6-7-16(4)13-18(17)21/h7-8,10,14,18-19,21H,6,9,11-13H2,1-5H3/b15-8+,16-7+,17-10-/t18-,19+,20+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O
InChI: InChI=1S/C19H29N3O2/c1-15-6-2-3-7-16(15)20-19(24)14-21-10-12-22(13-11-21)17-8-4-5-9-18(17)23/h4-5,8-9,15-16,23H,2-3,6-7,10-14H2,1H3,(H,20,24)/p+1/t15-,16+/m1/s1
SMILES: CCS[C@H]1C[C@@H](O[C@@H]1COC(=O)C)N2C=CC(=NC2=O)NC(=O)C(C)C
InChI: InChI=1S/C17H25N3O5S/c1-5-26-13-8-15(25-12(13)9-24-11(4)21)20-7-6-14(19-17(20)23)18-16(22)10(2)3/h6-7,10,12-13,15H,5,8-9H2,1-4H3,(H,18,19,22,23)/t12-,13+,15-/m1/s1
SMILES: COC1=C(C=CC(=C1)CN2[C@@H]([C@@H](CN(N(C2=O)CC3=CC(=C(C=C3)O)OC)C(=O)CCC4=CC=NC=C4)O)CC5=CC=CC=C5)O
InChI: InChI=1S/C35H38N4O7/c1-45-32-19-26(8-11-29(32)40)21-37-28(18-25-6-4-3-5-7-25)31(42)23-38(34(43)13-10-24-14-16-36-17-15-24)39(35(37)44)22-27-9-12-30(41)33(20-27)46-2/h3-9,11-12,14-17,19-20,28,31,40-42H,10,13,18,21-23H2,1-2H3/t28-,31-/m1/s1
SMILES: CCOC(=O)N(CC1=CC=CC=C1)C[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@]35C=C[C@@]6([C@@]4(CCC(C6)O)C)C=C5C(=O)C7=CC=CO7)C)O
InChI: InChI=1S/C37H45NO6/c1-4-43-32(41)38(23-25-9-6-5-7-10-25)24-36(42)17-14-30-34(36,3)16-13-29-33(2)15-12-26(39)21-35(33)18-19-37(29,30)27(22-35)31(40)28-11-8-20-44-28/h5-11,18-20,22,26,29-30,39,42H,4,12-17,21,23-24H2,1-3H3/t26?,29-,30-,33-,34+,35+,36-,37-/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@]5(C2(C)C)[C@H]([C@@H]1O)OC(=O)O5)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C32H36O13/c1-14-20-22(41-15(2)33)24(37)30(6)18(35)12-19-31(13-40-19,44-16(3)34)23(30)26(42-27(38)17-10-8-7-9-11-17)32(29(20,4)5)25(21(14)36)43-28(39)45-32/h7-11,18-19,21-23,25-26,35-36H,12-13H2,1-6H3/t18-,19+,21+,22+,23-,25-,26-,30+,31-,32+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)NC
InChI: InChI=1S/C19H28N2O6S/c1-12-7-5-6-8-15(12)21-18(22)13(2)27-19(23)14-9-10-16(26-4)17(11-14)28(24,25)20-3/h9-13,15,20H,5-8H2,1-4H3,(H,21,22)/t12-,13+,15-/m0/s1
SMILES: CC1=C(C=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=C(C=C6)Cl)Cl
InChI: InChI=1S/C27H17Cl2NO5/c1-13-6-11-16(12-19(13)29)30-25(33)20-21(26(30)34)27(35-22(20)14-7-9-15(28)10-8-14)23(31)17-4-2-3-5-18(17)24(27)32/h2-12,20-22H,1H3/t20-,21+,22-/m0/s1
SMILES: CC[C@@H]1[C@@H](C/C=C\C[C@@H](O1)[C@H](CCOCC2=CC=CC=C2)OCC3=CC=CC=C3)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C35H54O4Si/c1-8-32-35(39-40(27(2)3,28(4)5)29(6)7)22-16-15-21-34(38-32)33(37-26-31-19-13-10-14-20-31)23-24-36-25-30-17-11-9-12-18-30/h9-20,27-29,32-35H,8,21-26H2,1-7H3/b16-15-/t32-,33+,34-,35-/m1/s1
SMILES: C[C@H](C(=O)O)O[C@H]1[C@@H]([C@@H](O[C@@H]2[C@@H]1O[C@@H](OC2)C3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4)NC(=O)C
InChI: InChI=1S/C29H31NO8/c1-17(27(32)33)36-26-24(30-18(2)31)29(34-15-19-12-13-20-8-6-7-11-22(20)14-19)37-23-16-35-28(38-25(23)26)21-9-4-3-5-10-21/h3-14,17,23-26,28-29H,15-16H2,1-2H3,(H,30,31)(H,32,33)/t17-,23+,24+,25+,26+,28-,29-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)[C@H](C)NC(=O)C2=CC=C(C=C2)Cl
InChI: InChI=1S/C19H25ClN2O4/c1-12-5-3-4-6-16(12)22-17(23)11-26-19(25)13(2)21-18(24)14-7-9-15(20)10-8-14/h7-10,12-13,16H,3-6,11H2,1-2H3,(H,21,24)(H,22,23)/t12-,13-,16-/m0/s1
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=S)NC4=CC=CC(=C4)C(=O)OC
InChI: InChI=1S/C24H25N3O7S/c1-13(28)14-5-3-8-17(9-14)26-24(30)34-19-12-33-20-18(11-32-21(19)20)27-23(35)25-16-7-4-6-15(10-16)22(29)31-2/h3-10,18-21H,11-12H2,1-2H3,(H,26,30)(H2,25,27,35)/t18-,19+,20+,21+/m0/s1
SMILES: C[C@H]1[C@@H](OC(O[C@@H]1C[C@H]2C[C@H](OC(O2)(C)C)C[C@@H]3C[C@H](OC(O3)(C)C)C[C@@H]4C[C@@H](OC(O4)(C)C)/C=C/[C@H](C)[C@H](C(C)C)OCC5=CC=C(C=C5)OC)(C)C)CCO
InChI: InChI=1S/C46H76O11/c1-29(2)42(49-28-32-15-18-33(48-13)19-16-32)30(3)14-17-34-22-35(51-43(5,6)50-34)23-36-24-37(53-44(7,8)52-36)25-38-26-39(55-45(9,10)54-38)27-41-31(4)40(20-21-47)56-46(11,12)57-41/h14-19,29-31,34-42,47H,20-28H2,1-13H3/b17-14+/t30-,31-,34-,35-,36+,37-,38+,39+,40-,41+,42-/m0/s1
SMILES: C[C@]12C=C[C@]3(O1)[C@H]([C@@H]2C(=O)NC)C(=O)N([C@H]3C(=O)NC4CCCCC4)C5CC5
InChI: InChI=1S/C21H29N3O4/c1-20-10-11-21(28-20)15(14(20)17(25)22-2)19(27)24(13-8-9-13)16(21)18(26)23-12-6-4-3-5-7-12/h10-16H,3-9H2,1-2H3,(H,22,25)(H,23,26)/t14-,15-,16+,20-,21+/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=CC=C3C(=O)[O-])C4=CC=C(C=C4)Br
InChI: InChI=1S/C19H16BrNO2/c20-12-9-7-11(8-10-12)17-14-4-1-3-13(14)15-5-2-6-16(19(22)23)18(15)21-17/h1-3,5-10,13-14,17,21H,4H2,(H,22,23)/p-1/t13-,14+,17-/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)C(=O)O
InChI: InChI=1S/C22H21NO4/c1-12-6-11-17(22(26)27-2)18-15-4-3-5-16(15)20(23-19(12)18)13-7-9-14(10-8-13)21(24)25/h3-4,6-11,15-16,20,23H,5H2,1-2H3,(H,24,25)/t15-,16-,20+/m0/s1
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C19H20N2O5/c22-9-14-16(23)17(24)18(25)19(26-14)21-15-10-5-1-3-7-12(10)20-13-8-4-2-6-11(13)15/h1-8,14,16-19,22-25H,9H2,(H,20,21)/t14-,16-,17+,18-,19+/m1/s1
SMILES: COC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C22H22O10/c1-29-14-6-12(31-22-21(28)20(27)19(26)16(8-23)32-22)7-15-17(14)18(25)13(9-30-15)10-2-4-11(24)5-3-10/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1
SMILES: C[C@@H]1C=CC[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H](C=C([C@@H]4[C@H](C(O3)O)OC(=O)C)C(=O)OC)OC5)C
InChI: InChI=1S/C23H30O7/c1-11-6-5-7-22(3)14(11)9-16-23-10-28-15(19(22)23)8-13(20(25)27-4)17(23)18(21(26)30-16)29-12(2)24/h5-6,8,11,14-19,21,26H,7,9-10H2,1-4H3/t11-,14+,15+,16-,17-,18-,19-,21?,22+,23+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C4=C(C=CC(=C4)[N+](=O)[O-])OC3=O)C5=C(S2)NC(=O)S5
InChI: InChI=1S/C19H12N2O5S2/c22-18-14-13(11-8-10(21(24)25)6-7-12(11)26-18)16-17(20-19(23)28-16)27-15(14)9-4-2-1-3-5-9/h1-8,13-15H,(H,20,23)/t13-,14+,15-/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@H]2[C@](CC[C@@H]([C@@]2(C)CO)O)([C@@H]3[C@@]1(OC4=C([C@@H]3O)C(=O)OC(=C4)C5=CN=CC=C5)C)C
InChI: InChI=1S/C27H33NO8/c1-14(30)34-20-11-18-25(2,8-7-19(31)26(18,3)13-29)23-22(32)21-17(36-27(20,23)4)10-16(35-24(21)33)15-6-5-9-28-12-15/h5-6,9-10,12,18-20,22-23,29,31-32H,7-8,11,13H2,1-4H3/t18-,19+,20+,22+,23-,25+,26+,27-/m1/s1
SMILES: C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3([C@@H](C[C@@H](C4)O)O)C)O)O)C
InChI: InChI=1S/C28H50O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h16-25,29-32H,7-15H2,1-6H3/t17-,18+,19-,20-,21+,22-,23-,24+,25+,26+,27-,28-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]([C@H]2C(=O)[O-])C(=O)NCCCN3C=CN=C3
InChI: InChI=1S/C15H21N3O3/c19-14(17-4-1-6-18-7-5-16-9-18)12-10-2-3-11(8-10)13(12)15(20)21/h5,7,9-13H,1-4,6,8H2,(H,17,19)(H,20,21)/p-1/t10-,11+,12-,13+/m1/s1
SMILES: CN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=CC=CC(=C5O)CC=C)C(=O)C=C(C4=O)Br
InChI: InChI=1S/C26H22BrNO5/c1-3-5-12-6-4-7-14(23(12)30)20-13-8-9-15-21(26(33)28(2)25(15)32)16(13)10-17-22(20)19(29)11-18(27)24(17)31/h3-4,6-8,11,15-16,20-21,30H,1,5,9-10H2,2H3/t15-,16+,20+,21-/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@H](C(=O)O)N)O)O)N
InChI: InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7-,9-,10-,13-/m1/s1
SMILES: CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H20F3N3O3/c1-24(11-25-17(27)12-6-2-3-7-13(12)18(25)28)10-16(26)23-15-9-5-4-8-14(15)19(20,21)22/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,23,26)/t12-,13+
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C4=CC5=C(C=C34)C(=O)C6=C(C5=O)C7CCC6CC7
InChI: InChI=1S/C23H22O2/c24-22-16-8-14-15(19-13-6-5-12(7-13)18(14)19)9-17(16)23(25)21-11-2-1-10(3-4-11)20(21)22/h8-13,18-19H,1-7H2/t10?,11?,12-,13+,18-,19+
SMILES: CCOC(=O)[C@H]1[C@H](CC2=C(C1=O)[C@@H](CC(=O)N2)C3=CC(=CC=C3)Cl)C4=CC=CO4
InChI: InChI=1S/C22H20ClNO5/c1-2-28-22(27)20-15(17-7-4-8-29-17)10-16-19(21(20)26)14(11-18(25)24-16)12-5-3-6-13(23)9-12/h3-9,14-15,20H,2,10-11H2,1H3,(H,24,25)/t14-,15+,20-/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)NNC(=S)NCC3=CC=CC=C3
InChI: InChI=1S/C18H22N4O3S/c23-15(20-21-18(26)19-10-12-6-2-1-3-7-12)11-22-16(24)13-8-4-5-9-14(13)17(22)25/h1-3,6-7,13-14H,4-5,8-11H2,(H,20,23)(H2,19,21,26)/t13-,14-/m1/s1
SMILES: CC[C@@H]1C[C@]2([C@@H](CCC3=C2CC=CC3)[C@@H](O1)CC)O
InChI: InChI=1S/C17H26O2/c1-3-13-11-17(18)14-8-6-5-7-12(14)9-10-15(17)16(4-2)19-13/h5-6,13,15-16,18H,3-4,7-11H2,1-2H3/t13-,15+,16+,17+/m1/s1
SMILES: C[NH+]1CC=C2[C@H](C1)[C@@H](C(C(=N)C2C(=O)[O-])(C#N)C#N)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C19H17N5O4/c1-23-7-6-13-14(8-23)16(11-2-4-12(5-3-11)24(27)28)19(9-20,10-21)17(22)15(13)18(25)26/h2-6,14-16,22H,7-8H2,1H3,(H,25,26)/t14-,15?,16-/m0/s1
SMILES: C1CCC(C1)N([C@@H]2CC(=C[C@@H]([C@H]2O)OC3=CC=CC=C3I)C(=O)NCCO)C(=O)C4CCC4
InChI: InChI=1S/C25H33IN2O5/c26-19-10-3-4-11-21(19)33-22-15-17(24(31)27-12-13-29)14-20(23(22)30)28(18-8-1-2-9-18)25(32)16-6-5-7-16/h3-4,10-11,15-16,18,20,22-23,29-30H,1-2,5-9,12-14H2,(H,27,31)/t20-,22+,23+/m1/s1
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)C=CC7=CC(=C(C=C7)O)OC)C(=O)N(C5=O)C8CCN(CC8)CC9=CC=CC=C9
InChI: InChI=1S/C48H48N4O6/c1-30-13-17-34(18-14-30)49-52-45(55)40-28-38-36(39(21-15-31-16-22-41(53)42(27-31)58-2)48(40,47(52)57)33-11-7-4-8-12-33)19-20-37-43(38)46(56)51(44(37)54)35-23-25-50(26-24-35)29-32-9-5-3-6-10-32/h3-19,21-22,27,35,37-40,43,49,53H,20,23-26,28-29H2,1-2H3/t37-,38+,39-,40-,43-,48-/m0/s1
SMILES: CCCC[Sn](CCCC)(CCCC)/C/1=C/C=C/C[C@H](OC(=O)C[C@@H]([C@H](C[C@H](C[C@H](C[C@@H](C1=O)C)C)C)C)OCOC)[C@@H]2CCC[C@H]2COCOCCOC
InChI: InChI=1S/C33H55O8.3C4H9.Sn/c1-24-17-25(2)19-27(4)32(40-22-37-6)20-33(35)41-31(14-9-7-8-13-30(34)26(3)18-24)29-12-10-11-28(29)21-39-23-38-16-15-36-5;3*1-3-4-2;/h7-9,24-29,31-32H,10-12,14-23H2,1-6H3;3*1,3-4H2,2H3;/b9-7+,13-8?;;;;/t24-,25+,26+,27+,28+,29-,31+,32+;;;;/m1..../s1
SMILES: C1C=C[C@H]2[C@H]1[C@@H](NC3=C(C=CC(=C23)[N+](=O)[O-])C(=O)[O-])C(=O)[O-]
InChI: InChI=1S/C14H12N2O6/c17-13(18)8-4-5-9(16(21)22)10-6-2-1-3-7(6)12(14(19)20)15-11(8)10/h1-2,4-7,12,15H,3H2,(H,17,18)(H,19,20)/p-2/t6-,7-,12+/m0/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)CC3=CC=CC=C3)CC(=O)OC
InChI: InChI=1S/C18H25NO2/c1-19-15-8-9-17(19)16(12-18(20)21-2)14(11-15)10-13-6-4-3-5-7-13/h3-7,14-17H,8-12H2,1-2H3/t14-,15-,16-,17+/m0/s1
SMILES: C=CC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=C(C=C(C=C6)OCC7=CC=CC=C7)O)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C49H39NO6/c1-2-30-18-20-34(21-19-30)50-47(54)38-25-24-36-40(44(38)48(50)55)27-41-46(53)39(32-14-8-4-9-15-32)28-43(52)49(41,33-16-10-5-11-17-33)45(36)37-23-22-35(26-42(37)51)56-29-31-12-6-3-7-13-31/h2-24,26,28,38,40-41,44-45,51H,1,25,27,29H2/t38-,40+,41-,44-,45+,49-/m0/s1
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)OCCCCC3=CC=C(C=C3)F)N(C)C)O)CC=O)C)\C)CF
InChI: InChI=1S/C41H61F2NO9/c1-8-35-31(24-42)21-25(2)12-17-33(46)26(3)22-30(18-19-45)39(27(4)34(47)23-36(48)52-35)53-41-38(49)37(44(6)7)40(28(5)51-41)50-20-10-9-11-29-13-15-32(43)16-14-29/h12-17,19,21,26-28,30-31,34-35,37-41,47,49H,8-11,18,20,22-24H2,1-7H3/b17-12+,25-21+/t26-,27+,28-,30+,31-,34-,35-,37-,38-,39-,40-,41+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C
InChI: InChI=1S/C18H23ClN2O4/c1-11-5-3-4-6-15(11)20-18(24)21-17(23)10-25-16-8-7-13(19)9-14(16)12(2)22/h7-9,11,15H,3-6,10H2,1-2H3,(H2,20,21,23,24)/t11-,15+/m0/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC(=C(C=C5)OC)C=O)CCCCO)CCCCO)OCC=C)N(C)C(=O)C6CC6
InChI: InChI=1S/C42H54N2O9/c1-5-21-50-42-38(44(3)41(48)27-13-14-27)25-35(43-51-6-2)33-23-28(11-7-9-19-45)32(12-8-10-20-46)39(40(33)42)34-24-31(16-18-37(34)53-42)52-30-15-17-36(49-4)29(22-30)26-47/h5,15-18,22-24,26-28,32,38-40,45-46H,1,6-14,19-21,25H2,2-4H3/t28-,32+,38-,39+,40+,42+/m0/s1
SMILES: C[C@H]1[C@@H](C[C@@H]([C@]2([C@H]1C3=CC[C@@H]4[C@]5(CCC(=O)C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C)O)C(=O)OC
InChI: InChI=1S/C31H48O4/c1-18-19(26(34)35-8)17-24(33)29(5)15-16-30(6)20(25(18)29)9-10-22-28(4)13-12-23(32)27(2,3)21(28)11-14-31(22,30)7/h9,18-19,21-22,24-25,33H,10-17H2,1-8H3/t18-,19+,21?,22+,24-,25+,28-,29-,30+,31+/m0/s1
SMILES: C[C@H](C/C=C/[C@@H](C)C[C@@]1([C@H](O1)CO)C)/C=C/C2=CC=CC=C2
InChI: InChI=1S/C20H28O2/c1-16(12-13-18-10-5-4-6-11-18)8-7-9-17(2)14-20(3)19(15-21)22-20/h4-7,9-13,16-17,19,21H,8,14-15H2,1-3H3/b9-7+,13-12+/t16-,17-,19-,20-/m1/s1
SMILES: C/C(=N\NC(=O)[C@@H]1C[C@H]1C2=CC=C(C=C2)C(C)(C)C)/C3=CC=C(C=C3)F
InChI: InChI=1S/C22H25FN2O/c1-14(15-7-11-18(23)12-8-15)24-25-21(26)20-13-19(20)16-5-9-17(10-6-16)22(2,3)4/h5-12,19-20H,13H2,1-4H3,(H,25,26)/b24-14+/t19-,20+/m0/s1
SMILES: CC[C@@H]1[C@@H](C2=C(N1C(=O)OC(C)(C)C)C=C(C=C2)C(F)(F)F)C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C26H25F9N2O3/c1-5-18-20(21(38)36-12-13-8-15(25(30,31)32)10-16(9-13)26(33,34)35)17-7-6-14(24(27,28)29)11-19(17)37(18)22(39)40-23(2,3)4/h6-11,18,20H,5,12H2,1-4H3,(H,36,38)/t18-,20-/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)[C@@H](C)[C@H]2[C@@H](C(=O)OC2(C)C)C(=O)N3CCOCC3
InChI: InChI=1S/C21H27NO5/c1-13-5-7-15(8-6-13)18(23)14(2)17-16(20(25)27-21(17,3)4)19(24)22-9-11-26-12-10-22/h5-8,14,16-17H,9-12H2,1-4H3/t14-,16+,17-/m0/s1
SMILES: COC1=C(C=C2C(=C1)[C@H]3C[C@@H]([C@H]([C@H]([C@@H]3NC2=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC
InChI: InChI=1S/C36H37NO6/c1-39-30-18-27-28-19-32(41-21-24-12-6-3-7-13-24)34(42-22-25-14-8-4-9-15-25)35(43-23-26-16-10-5-11-17-26)33(28)37-36(38)29(27)20-31(30)40-2/h3-18,20,28,32-35H,19,21-23H2,1-2H3,(H,37,38)/t28-,32+,33-,34-,35+/m1/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=CC(=CC=C5)O)C6=CC=CC=C6)NC7=CC=C(C=C7)C
InChI: InChI=1S/C36H35N3O5/c1-3-18-38-32(41)27-17-16-26-28(30(27)34(38)43)20-29-33(42)39(37-24-14-12-21(2)13-15-24)35(44)36(29,23-9-5-4-6-10-23)31(26)22-8-7-11-25(40)19-22/h4-16,19,27-31,37,40H,3,17-18,20H2,1-2H3/t27-,28+,29-,30-,31-,36+/m0/s1
SMILES: C1C=CC[C@H]([C@@H]1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)C(=O)[O-]
InChI: InChI=1S/C21H18N2O3S/c24-19(15-5-1-2-6-16(15)21(25)26)22-14-11-9-13(10-12-14)20-23-17-7-3-4-8-18(17)27-20/h1-4,7-12,15-16H,5-6H2,(H,22,24)(H,25,26)/p-1/t15-,16-/m1/s1
SMILES: CC1=C[C@@H]2[C@@H](C[C@]1(C(C2(C#N)C#N)(C#N)C#N)O[Si](C)(C)C(C)(C)C)C(=C)C
InChI: InChI=1S/C22H28N4OSi/c1-15(2)17-10-22(27-28(7,8)19(4,5)6)16(3)9-18(17)20(11-23,12-24)21(22,13-25)14-26/h9,17-18H,1,10H2,2-8H3/t17-,18+,22-/m0/s1
SMILES: COC1=C(C=C2CN(CCC2=C1)C(=O)[C@H]3[C@@H]4C(=O)O[C@H]([C@H](N4[C@H]([C@@]35C6=C(C=CC(=C6)C#CCC(C(=O)OC)C(=O)OC)NC5=O)C7=CC=CC=C7OCCO)C8=CC=CC=C8)C9=CC=CC=C9)OC
InChI: InChI=1S/C54H51N3O12/c1-64-42-29-35-24-25-56(31-36(35)30-43(42)65-2)49(59)44-46-52(62)69-47(34-17-9-6-10-18-34)45(33-15-7-5-8-16-33)57(46)48(37-19-11-12-21-41(37)68-27-26-58)54(44)39-28-32(22-23-40(39)55-53(54)63)14-13-20-38(50(60)66-3)51(61)67-4/h5-12,15-19,21-23,28-30,38,44-48,58H,20,24-27,31H2,1-4H3,(H,55,63)/t44-,45-,46-,47+,48+,54-/m1/s1
SMILES: CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCN3CC(CC(C3)C)C)C)CSC4=CC=CC=C4
InChI: InChI=1S/C43H68N2O8S/c1-9-37-33(26-54-34-16-11-10-12-17-34)15-13-14-18-35(46)29(4)22-32(19-20-45-24-27(2)21-28(3)25-45)42(30(5)36(47)23-38(48)52-37)53-43-41(50)39(44(7)8)40(49)31(6)51-43/h10-18,27-33,36-37,39-43,47,49-50H,9,19-26H2,1-8H3/b15-13+,18-14+/t27?,28?,29-,30+,31?,32+,33-,36-,37-,39?,40?,41?,42-,43?/m1/s1
SMILES: COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C22H26N2O4S/c1-28-18-6-3-14(4-7-18)12-19-21(26)24(22(27)29-19)9-8-23-20(25)13-17-11-15-2-5-16(17)10-15/h3-4,6-7,12,15-17H,2,5,8-11,13H2,1H3,(H,23,25)/b19-12-/t15-,16+,17-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]([C@@H]([C@H]2[C@@H]1O2)NC(=O)[C@H](C3=CC=CC=C3)O[Si](C)(C)C(C)(C)C)COCC4=CC=CC=C4
InChI: InChI=1S/C33H51NO5Si2/c1-32(2,3)40(7,8)38-27(24-19-15-12-16-20-24)31(35)34-26-25(22-36-21-23-17-13-11-14-18-23)28(30-29(26)37-30)39-41(9,10)33(4,5)6/h11-20,25-30H,21-22H2,1-10H3,(H,34,35)/t25-,26-,27-,28+,29-,30+/m0/s1
SMILES: CC1=C(C=C(S1)CC[C@@H](/C=C/[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C/CCCC(=O)NCCO)O)O)O)Br
InChI: InChI=1S/C24H36BrNO5S/c1-16-21(25)14-18(32-16)10-8-17(28)9-11-20-19(22(29)15-23(20)30)6-4-2-3-5-7-24(31)26-12-13-27/h2,4,9,11,14,17,19-20,22-23,27-30H,3,5-8,10,12-13,15H2,1H3,(H,26,31)/b4-2+,11-9+/t17-,19+,20+,22-,23+/m0/s1
SMILES: CC(C)(C)NC(=O)C1[C@@H]([C@H](CN1C(=O)C2=C(C=C(C=C2)F)F)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C28H48F2N2O4Si2/c1-26(2,3)31-24(33)22-23(36-38(12,13)28(7,8)9)21(35-37(10,11)27(4,5)6)17-32(22)25(34)19-15-14-18(29)16-20(19)30/h14-16,21-23H,17H2,1-13H3,(H,31,33)/t21-,22?,23+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]2[C@H](C(=NC(=O)C)[C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O1)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)C)(OCC(=C)CO2)C)C)C)(C)OC(=O)N(CC=C)C(=O)NCC=C
InChI: InChI=1S/C44H67FN4O13/c1-15-18-46-41(54)49(19-16-2)42(55)62-44(12)32(17-3)60-39(53)33(45)35(52)28(8)37(61-40-36(59-30(10)51)31(48(13)14)20-26(6)58-40)43(11)21-25(5)34(47-29(9)50)27(7)38(44)56-22-24(4)23-57-43/h15-16,25-28,31-33,36-38,40H,1-2,4,17-23H2,3,5-14H3,(H,46,54)/t25-,26-,27+,28+,31+,32-,33?,36-,37-,38+,40+,43-,44-/m1/s1
SMILES: C1=CN(C(=O)C(=C1N)[N+](=O)[O-])[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C10H13N3O7/c11-4-1-2-12(9(17)6(4)13(18)19)10-8(16)7(15)5(3-14)20-10/h1-2,5,7-8,10,14-16H,3,11H2/t5-,7-,8-,10-/m1/s1
SMILES: C[C@@H]([C@H](C1[C@@H]([C@@H]([C@H]([C@H](O1)SC)OP(=O)(O)O)O)O)NC(=O)[C@@H]2CC[C@@H](CCN2)CCCOC)Cl
InChI: InChI=1S/C20H38ClN2O9PS/c1-11(21)14(17-15(24)16(25)18(20(31-17)34-3)32-33(27,28)29)23-19(26)13-7-6-12(8-9-22-13)5-4-10-30-2/h11-18,20,22,24-25H,4-10H2,1-3H3,(H,23,26)(H2,27,28,29)/t11-,12-,13-,14+,15+,16-,17?,18+,20+/m0/s1
SMILES: COC(=O)[C@]1(C[C@@H]2[C@H](N1C(=O)OC)N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4)C=O
InChI: InChI=1S/C21H20N2O7S/c1-29-19(25)21(13-24)12-16-15-10-6-7-11-17(15)23(18(16)22(21)20(26)30-2)31(27,28)14-8-4-3-5-9-14/h3-11,13,16,18H,12H2,1-2H3/t16-,18+,21-/m0/s1
SMILES: C[C@@H]1CCC[C@]2(C1=C[C@@H]3[C@H](C2)OC(=O)[C@H]3C[NH+]4CCN(CC4)C5=C(C=CC(=C5)Cl)C)C
InChI: InChI=1S/C26H35ClN2O2/c1-17-5-4-8-26(3)15-24-20(14-22(17)26)21(25(30)31-24)16-28-9-11-29(12-10-28)23-13-19(27)7-6-18(23)2/h6-7,13-14,17,20-21,24H,4-5,8-12,15-16H2,1-3H3/p+1/t17-,20+,21+,24+,26-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)C3=NN(C=C3)CCC4=CC=CC=C4)O
InChI: InChI=1S/C20H21N3O4/c1-12(24)17-16-11-14(18(20(26)27)23(16)19(17)25)15-8-10-22(21-15)9-7-13-5-3-2-4-6-13/h2-6,8,10,12,16-17,24H,7,9,11H2,1H3,(H,26,27)/t12-,16-,17-/m1/s1