EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C22H26N2O5/c1-14(2)15-7-9-16(10-8-15)23-19(25)13-29-20(26)11-12-24-21(27)17-5-3-4-6-18(17)22(24)28/h3-4,7-10,14,17-18H,5-6,11-13H2,1-2H3,(H,23,25)/t17-,18+
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC=C
InChI: InChI=1S/C20H28N2O5S/c1-4-12-21-28(25,26)17-10-8-16(9-11-17)20(24)27-13-19(23)22-18-7-5-6-14(2)15(18)3/h4,8-11,14-15,18,21H,1,5-7,12-13H2,2-3H3,(H,22,23)/t14-,15-,18+/m1/s1
SMILES: C1=CC=C2C(=C1)C=C[C@H]3N2[C@H]([C@@H](C3(C#N)C#N)C4=C(C=CC=C4Cl)F)C(=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C27H16ClF2N3O/c28-19-5-3-6-20(30)23(19)24-25(26(34)17-8-11-18(29)12-9-17)33-21-7-2-1-4-16(21)10-13-22(33)27(24,14-31)15-32/h1-13,22,24-25H/t22-,24+,25-/m1/s1
SMILES: C1CC1NC(=O)C2[C@H]3[C@@H]2[C@@H]4[C@@H]5[C@@H]6[C@H]3C4CC65
InChI: InChI=1S/C14H17NO/c16-14(15-4-1-2-4)13-11-9-6-3-5-7(9)8(5)10(6)12(11)13/h4-13H,1-3H2,(H,15,16)/t5?,6?,7-,8+,9-,10+,11-,12+,13?
SMILES: CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2CC1C(=O)O
InChI: InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16?/m0/s1
SMILES: CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C
InChI: InChI=1S/C23H26F2O5/c1-12(26)30-11-19(28)15-5-4-14-16-9-18(24)17-8-13(27)6-7-22(17,3)23(16,25)20(29)10-21(14,15)2/h5-8,14,16,18,20,29H,4,9-11H2,1-3H3/t14-,16-,18-,20-,21-,22-,23-/m0/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@]3(C2=CC4=C(C(=C(C=C4O3)OCC5=CC=CC=C5)OCC6=CC=CC=C6)Cl)C)(C)C
InChI: InChI=1S/C35H39ClO3/c1-33(2)17-11-18-34(3)29(33)16-19-35(4)30(34)20-26-27(39-35)21-28(37-22-24-12-7-5-8-13-24)32(31(26)36)38-23-25-14-9-6-10-15-25/h5-10,12-15,20-21,29H,11,16-19,22-23H2,1-4H3/t29-,34-,35-/m0/s1
SMILES: CC1=CC(=C2C(=C1)[C@]3([C@H]4[C@@H]([C@@H](N3)CCSC)C(=O)N(C4=O)C5CCCC5)C(=O)N2)C
InChI: InChI=1S/C23H29N3O3S/c1-12-10-13(2)19-15(11-12)23(22(29)24-19)18-17(16(25-23)8-9-30-3)20(27)26(21(18)28)14-6-4-5-7-14/h10-11,14,16-18,25H,4-9H2,1-3H3,(H,24,29)/t16-,17+,18-,23-/m0/s1
SMILES: CC1=C2[C@H](C[C@@H]([C@]2(CCC(C1=O)C/C=C(\CCOC3CCCCO3)/[Si](C)(C)C4=CC=CC=C4)C)C(C)C)OC5CCCCO5
InChI: InChI=1S/C38H58O5Si/c1-27(2)32-26-33(43-35-17-11-13-24-41-35)36-28(3)37(39)29(20-22-38(32,36)4)18-19-31(21-25-42-34-16-10-12-23-40-34)44(5,6)30-14-8-7-9-15-30/h7-9,14-15,19,27,29,32-35H,10-13,16-18,20-26H2,1-6H3/b31-19+/t29?,32-,33+,34?,35?,38-/m1/s1
SMILES: C[C@@]1([C@H](O1)COCC2=CC=CC=C2)/C=C\CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H32O3Si/c1-19(2,3)24(5,6)22-14-10-13-20(4)18(23-20)16-21-15-17-11-8-7-9-12-17/h7-13,18H,14-16H2,1-6H3/b13-10-/t18-,20+/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)C7=CC(=C(C(=C7)Br)O)OC)C(=O)N(C5=O)C8=CC=C(C=C8)N=NC9=CC=C(C=C9)N(C)C
InChI: InChI=1S/C48H43BrN6O6/c1-27-10-12-32(13-11-27)52-55-45(58)38-26-37-35(42(28-24-39(49)43(56)40(25-28)61-4)48(38,47(55)60)29-8-6-5-7-9-29)22-23-36-41(37)46(59)54(44(36)57)34-20-16-31(17-21-34)51-50-30-14-18-33(19-15-30)53(2)3/h5-22,24-25,36-38,41-42,52,56H,23,26H2,1-4H3/t36-,37+,38-,41-,42-,48+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C(C=C2)C=O)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C22H26O12/c1-11(24)29-10-18-19(30-12(2)25)20(31-13(3)26)21(32-14(4)27)22(34-18)33-16-7-6-15(9-23)8-17(16)28-5/h6-9,18-22H,10H2,1-5H3/t18-,19-,20+,21-,22-/m1/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=CC6=CC=CC=C6C=C5)CCCCO)CCCCO)OCC=C)N(CC7=CC=CC8=CC=CC=C87)C(=O)OCCOCC9=CC=CC=C9
InChI: InChI=1S/C60H66N2O9/c1-3-33-68-60-56(62(40-47-24-16-23-44-20-10-11-25-50(44)47)59(65)67-35-34-66-41-42-17-6-5-7-18-42)39-54(61-69-4-2)52-37-46(22-12-14-31-63)51(26-13-15-32-64)57(58(52)60)53-38-49(29-30-55(53)71-60)70-48-28-27-43-19-8-9-21-45(43)36-48/h3,5-11,16-21,23-25,27-30,36-38,46,51,56-58,63-64H,1,4,12-15,22,26,31-35,39-41H2,2H3/t46-,51+,56-,57+,58+,60+/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)N2CCOCCOCCOCCOCC2)C3=COC4=CC=CC=C43)CCOCCOCCO
InChI: InChI=1S/C32H47NO11/c1-2-42-32-26(7-11-36-15-18-39-14-10-34)27(28-24-43-29-6-4-3-5-25(28)29)23-30(44-32)31(35)33-8-12-37-16-19-40-21-22-41-20-17-38-13-9-33/h3-6,23-24,26-27,32,34H,2,7-22H2,1H3/t26-,27-,32+/m1/s1
SMILES: CCCC[C@@H]1C[C@H]1[C@H](C2=CC=C(C=C2)C(F)(F)F)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C22H24F3NO/c1-2-3-7-17-14-19(17)20(26-21(27)16-8-5-4-6-9-16)15-10-12-18(13-11-15)22(23,24)25/h4-6,8-13,17,19-20H,2-3,7,14H2,1H3,(H,26,27)/t17-,19-,20+/m1/s1
SMILES: COCCO[C@@H]1[C@H]2[C@@H](COP(=O)(O2)[O-])O[C@H]1N3C=NC4=C(N=CN=C43)N.[NH4+]
InChI: InChI=1S/C13H18N5O7P.H3N/c1-21-2-3-22-10-9-7(4-23-26(19,20)25-9)24-13(10)18-6-17-8-11(14)15-5-16-12(8)18;/h5-7,9-10,13H,2-4H2,1H3,(H,19,20)(H2,14,15,16);1H3/t7-,9-,10-,13-;/m1./s1
SMILES: CC(=O)O[C@@H]1C[C@@]2([C@H](O2)CC[C@@]3([C@H](O3)[C@@H]4[C@@H]1C(=C)C(=O)O4)C)C
InChI: InChI=1S/C17H22O6/c1-8-12-10(20-9(2)18)7-17(4)11(22-17)5-6-16(3)14(23-16)13(12)21-15(8)19/h10-14H,1,5-7H2,2-4H3/t10-,11-,12-,13+,14-,16-,17-/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)CNC(=O)C4=CN=CC=C4)CN(C)CCC5=CC=CC=N5
InChI: InChI=1S/C34H38N4O4/c1-24-31(22-38(2)19-16-30-7-3-4-18-36-30)41-34(42-32(24)27-12-10-26(23-39)11-13-27)28-14-8-25(9-15-28)20-37-33(40)29-6-5-17-35-21-29/h3-15,17-18,21,24,31-32,34,39H,16,19-20,22-23H2,1-2H3,(H,37,40)/t24-,31+,32+,34+/m0/s1
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=O)C3=C(C2=O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)N(CCN(C)C)CC5=CC=CC=C5)C)OC)C)C)O)N6CCOCC6)/C
InChI: InChI=1S/C51H66N4O13/c1-28-15-14-16-29(2)49(62)52-39-40(54-22-25-65-26-23-54)45(60)36-37(44(39)59)43(58)33(6)47-38(36)48(61)51(7,68-47)66-24-19-35(64-10)30(3)46(32(5)42(57)31(4)41(28)56)67-50(63)55(21-20-53(8)9)27-34-17-12-11-13-18-34/h11-19,24,28,30-32,35,41-42,46,56-58H,20-23,25-27H2,1-10H3,(H,52,62)/b15-14+,24-19+,29-16-/t28-,30+,31+,32+,35-,41-,42+,46+,51-/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]([C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)O
InChI: InChI=1S/C12H16O6/c13-7(6-4-2-1-3-5-6)11-9(15)8(14)10(16)12(17)18-11/h1-5,7-17H/t7-,8-,9-,10+,11+,12?/m0/s1
SMILES: CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N(C)C6=C(C=CC(=C6)[N+](=O)[O-])O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O
InChI: InChI=1S/C36H34N4O15/c1-4-17-18-11-16(7-8-22(18)37-26-19(17)13-39-24(26)12-21-20(31(39)44)14-52-34(47)36(21,49)5-2)53-35(48)38(3)23-10-15(40(50)51)6-9-25(23)54-33-29(43)27(41)28(42)30(55-33)32(45)46/h6-12,27-30,33,41-43,49H,4-5,13-14H2,1-3H3,(H,45,46)/t27-,28-,29+,30-,33+,36-/m0/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOC3CCCCO3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OC(=O)NCC6=CC=CC=C6)CCCCO)CCCCO)N(CC7=CC=C(C=C7)F)C(=O)C=CC8=CC=C(C=C8)[N+](=O)[O-]
InChI: InChI=1S/C56H63FN4O11/c1-2-31-69-56-50(60(37-40-17-22-42(57)23-18-40)51(64)28-21-38-19-24-43(25-20-38)61(66)67)35-48(59-72-52-16-8-11-32-68-52)46-33-41(14-6-9-29-62)45(15-7-10-30-63)53(54(46)56)47-34-44(26-27-49(47)71-56)70-55(65)58-36-39-12-4-3-5-13-39/h2-5,12-13,17-28,33-34,41,45,50,52-54,62-63H,1,6-11,14-16,29-32,35-37H2,(H,58,65)/t41-,45+,50-,52?,53+,54+,56+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CCC2=C(C(=O)C[C@@H]2[C@@H]1O[Si](C)(C)C(C)(C)C)C3=CC=CC=C3
InChI: InChI=1S/C27H44O3Si2/c1-26(2,3)31(7,8)29-23-17-16-20-21(25(23)30-32(9,10)27(4,5)6)18-22(28)24(20)19-14-12-11-13-15-19/h11-15,21,23,25H,16-18H2,1-10H3/t21-,23-,25-/m0/s1
SMILES: CC(C)COC(=O)C1=CC2=C(C=C1)N[C@@H]([C@@H]3[C@@H]2C=CC3)C(=O)[O-]
InChI: InChI=1S/C18H21NO4/c1-10(2)9-23-18(22)11-6-7-15-14(8-11)12-4-3-5-13(12)16(19-15)17(20)21/h3-4,6-8,10,12-13,16,19H,5,9H2,1-2H3,(H,20,21)/p-1/t12-,13-,16-/m0/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C21H34O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17+,18-,19-,20+,21-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)OC(C)(C)C)C)C
InChI: InChI=1S/C47H74N2O5/c1-30(2)15-14-16-32(5)37-21-22-38-36-20-19-34-29-35(23-25-46(34,9)39(36)24-26-47(37,38)10)53-43(51)41(27-31(3)4)48-42(50)40(28-33-17-12-11-13-18-33)49-44(52)54-45(6,7)8/h11-13,17-19,30-32,35-41H,14-16,20-29H2,1-10H3,(H,48,50)(H,49,52)/t32-,35+,36+,37-,38+,39+,40+,41-,46+,47-/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@H](C([C@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CO
InChI: InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22+,23+,24+,25+,27-,28+,29+,30+/m0/s1
SMILES: CC(C)OP(=O)([C@@H]1C=C[C@H]([C@H](O1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N5C=NC6=C5N=C(N=C6OC(=O)N(C7=CC=CC=C7)C8=CC=CC=C8)NC(=O)C)OC(C)C
InChI: InChI=1S/C51H51N6O8P/c1-35(2)64-66(60,65-36(3)4)45-32-31-43(44(62-45)33-61-51(38-21-11-6-12-22-38,39-23-13-7-14-24-39)40-25-15-8-16-26-40)56-34-52-46-47(56)54-49(53-37(5)58)55-48(46)63-50(59)57(41-27-17-9-18-28-41)42-29-19-10-20-30-42/h6-32,34-36,43-45H,33H2,1-5H3,(H,53,54,55,58)/t43-,44-,45-/m1/s1
SMILES: CC1(O[C@@H]2[C@@H](O1)[C@@H](O[C@@H]3[C@@H]2OC(O3)(C)C)C(=O)NC4=CC=CC=C4SC)C
InChI: InChI=1S/C19H25NO6S/c1-18(2)23-12-13(24-18)15-17(26-19(3,4)25-15)22-14(12)16(21)20-10-8-6-7-9-11(10)27-5/h6-9,12-15,17H,1-5H3,(H,20,21)/t12-,13-,14-,15-,17+/m1/s1
SMILES: CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7[C@@](C=CC9)([C@H]([C@@](C8N6C)(C(=O)NN)O)O)CC)OC)C(=O)OC)O
InChI: InChI=1S/C43H56N6O7/c1-6-39(53)21-25-22-42(38(52)56-5,33-27(13-17-48(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)55-4)47(3)35-41(28)15-18-49-16-10-14-40(7-2,34(41)49)36(50)43(35,54)37(51)46-44/h8-12,14,19-20,25,34-36,45,50,53-54H,6-7,13,15-18,21-24,44H2,1-5H3,(H,46,51)/t25-,34?,35?,36+,39-,40+,41?,42-,43-/m0/s1
SMILES: CC[C@@H]1[C@@]2(C([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)CC3C[C@H](C[C@H](O3)C)N(C)C)(C)OCC#CC4=CC=C(S4)C5=CC=CC(=C5)C)C)C)NC(=O)O2)C
InChI: InChI=1S/C45H62N2O8S/c1-12-38-45(9)41(46-43(51)55-45)30(6)39(48)27(3)25-44(8,52-20-14-17-35-18-19-37(56-35)32-16-13-15-26(2)21-32)36(29(5)40(49)31(7)42(50)54-38)24-34-23-33(47(10)11)22-28(4)53-34/h13,15-16,18-19,21,27-31,33-34,36,38,41H,12,20,22-25H2,1-11H3,(H,46,51)/t27-,28-,29-,30+,31-,33+,34?,36-,38-,41?,44+,45-/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)N(C)C5=C(C=CC(=N5)C(F)(F)F)Cl)C6=C(C=C(C=C6OC)OC)O
InChI: InChI=1S/C32H27ClF3N3O7/c1-13-9-20(40)18-12-17-15(25(26(18)28(13)42)27-21(41)10-14(45-3)11-22(27)46-4)5-6-16-24(17)31(44)39(30(16)43)38(2)29-19(33)7-8-23(37-29)32(34,35)36/h5,7-11,16-17,24-25,41H,6,12H2,1-4H3/t16-,17+,24-,25-/m0/s1
SMILES: CCOC1=CC=CC=C1NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C24H30N2O6/c1-4-31-20-12-8-7-11-18(20)25-21(27)14-32-24(30)19(13-15(2)3)26-22(28)16-9-5-6-10-17(16)23(26)29/h5-8,11-12,15-17,19H,4,9-10,13-14H2,1-3H3,(H,25,27)/t16-,17+,19-/m0/s1
SMILES: COC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N2CCC[C@H]3[C@H]2CCCC3)Cl
InChI: InChI=1S/C19H23Cl2NO4/c1-25-18-14(20)9-13(10-15(18)21)19(24)26-11-17(23)22-8-4-6-12-5-2-3-7-16(12)22/h9-10,12,16H,2-8,11H2,1H3/t12-,16+/m0/s1
SMILES: CC1=CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CN4CCN(CC4)CC5=CC6=C(C=C5)OCO6)C
InChI: InChI=1S/C27H34N2O4/c1-18-4-3-7-27(2)14-25-20(13-22(18)27)21(26(30)33-25)16-29-10-8-28(9-11-29)15-19-5-6-23-24(12-19)32-17-31-23/h4-6,12-13,20-21,25H,3,7-11,14-17H2,1-2H3/t20-,21-,25-,27-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)N3CCN(CC3)C4=NC=CC=N4
InChI: InChI=1S/C20H26N6O4/c1-14-5-2-3-6-15(14)26-18(29)17(28)25(20(26)30)13-16(27)23-9-11-24(12-10-23)19-21-7-4-8-22-19/h4,7-8,14-15H,2-3,5-6,9-13H2,1H3/t14-,15+/m1/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@@H]2[C@H]3[C@@H]2/C=C\CCCC3)C
InChI: InChI=1S/C18H23NO/c1-12-9-10-14(11-13(12)2)19-18(20)17-15-7-5-3-4-6-8-16(15)17/h5,7,9-11,15-17H,3-4,6,8H2,1-2H3,(H,19,20)/b7-5-/t15-,16+,17-/m0/s1
SMILES: C1=CC=C(C(=C1)[C@H]2[C@H]3[C@@H]([C@@H](N2)C(=O)O)C(=O)N(C3=O)C4=CC=C(C=C4)F)O
InChI: InChI=1S/C19H15FN2O5/c20-9-5-7-10(8-6-9)22-17(24)13-14(18(22)25)16(19(26)27)21-15(13)11-3-1-2-4-12(11)23/h1-8,13-16,21,23H,(H,26,27)/t13-,14+,15+,16-/m1/s1
SMILES: C[C@]12CC[C@](C1(C)C)(OC2=O)C(=O)O[C@@H]3CCN(C[C@H]3C4=C(NC5=C4C=CC(=C5)F)C6CCCCC6)C(=O)OCC7=CC=CC=C7
InChI: InChI=1S/C37H43FN2O6/c1-35(2)36(3)17-18-37(35,46-32(36)41)33(42)45-29-16-19-40(34(43)44-22-23-10-6-4-7-11-23)21-27(29)30-26-15-14-25(38)20-28(26)39-31(30)24-12-8-5-9-13-24/h4,6-7,10-11,14-15,20,24,27,29,39H,5,8-9,12-13,16-19,21-22H2,1-3H3/t27-,29-,36-,37+/m1/s1
SMILES: CC1=C(C=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@@H]3N(C2=O)C4=CC=C(C=C4)F)Cl
InChI: InChI=1S/C18H16ClFN2O3S/c1-11-2-5-14(8-15(11)19)22-17-10-26(24,25)9-16(17)21(18(22)23)13-6-3-12(20)4-7-13/h2-8,16-17H,9-10H2,1H3/t16-,17+/m0/s1
SMILES: CC[C@]12C=CCN3[C@H]1[C@@]4(CC3)[C@@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)[C@@]6(C[C@H]7C[C@@H](CN(C7)CCC8=C6NC9=CC=CC=C89)C)C(=O)OC)OC)C=O
InChI: InChI=1S/C45H54N4O9/c1-7-42-14-10-16-48-18-15-43(37(42)48)31-20-32(35(55-4)21-34(31)49(25-50)38(43)45(54,41(53)57-6)39(42)58-27(3)51)44(40(52)56-5)22-28-19-26(2)23-47(24-28)17-13-30-29-11-8-9-12-33(29)46-36(30)44/h8-12,14,20-21,25-26,28,37-39,46,54H,7,13,15-19,22-24H2,1-6H3/t26-,28+,37+,38-,39+,42-,43-,44+,45-/m0/s1
SMILES: C1CC(=C(N2[C@H]1[C@@H](C2=O)NC(=O)/C(=N\O)/C3=C(SC(=N3)N)Cl)C(=O)O)SC4=C(C=NC=C4)CSCCN
InChI: InChI=1S/C21H22ClN7O5S3/c22-17-14(27-21(24)37-17)15(28-34)18(30)26-13-10-1-2-12(16(20(32)33)29(10)19(13)31)36-11-3-5-25-7-9(11)8-35-6-4-23/h3,5,7,10,13,34H,1-2,4,6,8,23H2,(H2,24,27)(H,26,30)(H,32,33)/b28-15-/t10-,13+/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CN5C(=O)C6=CC=CC=C6C5=O)CN7[C@@H]8CCCC[C@@H]8CC[C@@H]7C(=O)NC(C)(C)C
InChI: InChI=1S/C48H55N3O6/c1-30-42(28-50-40-18-8-5-12-33(40)23-24-41(50)44(53)49-48(2,3)4)56-47(57-43(30)34-21-19-31(29-52)20-22-34)37-15-10-14-36(26-37)35-13-9-11-32(25-35)27-51-45(54)38-16-6-7-17-39(38)46(51)55/h6-7,9-11,13-17,19-22,25-26,30,33,40-43,47,52H,5,8,12,18,23-24,27-29H2,1-4H3,(H,49,53)/t30-,33-,40-,41-,42+,43+,47+/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=C(C=C5)OC)SC(=O)C6=CC=CC=C6
InChI: InChI=1S/C37H34N2O6S/c1-25-23-39(36(42)38-34(25)40)33-22-32(46-35(41)26-12-6-3-7-13-26)31(45-33)24-44-37(27-14-8-4-9-15-27,28-16-10-5-11-17-28)29-18-20-30(43-2)21-19-29/h3-21,23,31-33H,22,24H2,1-2H3,(H,38,40,42)/t31-,32+,33-/m1/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C=C(C=N6)CC8=CC=CC=C8
InChI: InChI=1S/C30H30N2O3/c33-23-9-8-21-14-24-30(34)15-22-13-20(12-18-4-2-1-3-5-18)16-31-26(22)28-29(30,25(21)27(23)35-28)10-11-32(24)17-19-6-7-19/h1-5,8-9,13,16,19,24,28,33-34H,6-7,10-12,14-15,17H2/t24-,28+,29+,30-/m1/s1
SMILES: C[C@@H]1[C@@H](OC(=O)N1C(=O)[C@@H](CC2=CC=CO2)CC(=O)OC(C)(C)C)C3=CC=CC=C3
InChI: InChI=1S/C23H27NO6/c1-15-20(16-9-6-5-7-10-16)29-22(27)24(15)21(26)17(13-18-11-8-12-28-18)14-19(25)30-23(2,3)4/h5-12,15,17,20H,13-14H2,1-4H3/t15-,17+,20-/m1/s1
SMILES: C1C[C@@H]2[C@@H]3CC4=CC=CC=C4[C@@H]3NC(=[N+]2[C@H]1CCC5=CC=CC=C5)N
InChI: InChI=1S/C22H25N3/c23-22-24-21-18-9-5-4-8-16(18)14-19(21)20-13-12-17(25(20)22)11-10-15-6-2-1-3-7-15/h1-9,17,19-21H,10-14H2,(H2,23,24)/p+1/t17-,19-,20+,21-/m0/s1
SMILES: CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)N(C)N=O
InChI: InChI=1S/C13H19N3O9/c1-6(17)23-9-5-22-12(14-13(20)16(4)15-21)11(25-8(3)19)10(9)24-7(2)18/h9-12H,5H2,1-4H3,(H,14,20)/t9-,10-,11-,12-/m1/s1
SMILES: CC(=O)[C@]12[C@H](O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C
InChI: InChI=1S/C21H32O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h13-18,23H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18+,19-,20-,21+/m0/s1
SMILES: C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C=CC(=C3)C(=O)OC)O)CCC=C2C)C
InChI: InChI=1S/C23H32O3/c1-15-7-6-8-20-22(15,3)12-11-16(2)23(20,4)14-18-13-17(21(25)26-5)9-10-19(18)24/h7,9-10,13,16,20,24H,6,8,11-12,14H2,1-5H3/t16-,20+,22+,23+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC=CC(=C5O)CC=C)C(=O)N(C4=O)C6=CC(=C(C=C6)C(=O)O)O
InChI: InChI=1S/C33H27NO8/c1-3-5-16-6-4-7-20(30(16)38)26-18-10-11-21-27(22(18)14-23-28(26)25(36)12-15(2)29(23)37)32(40)34(31(21)39)17-8-9-19(33(41)42)24(35)13-17/h3-4,6-10,12-13,21-22,26-27,35,38H,1,5,11,14H2,2H3,(H,41,42)/t21-,22+,26+,27-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC1=CC=CC(=C1)[C@H]2[C@H](C(C2(C#N)C#N)(C#N)C#N)C3=CC(=CC=C3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H40N4O2Si2/c1-29(2,3)39(7,8)37-25-15-11-13-23(17-25)27-28(32(21-35,22-36)31(27,19-33)20-34)24-14-12-16-26(18-24)38-40(9,10)30(4,5)6/h11-18,27-28H,1-10H3/t27-,28+
SMILES: CCC(C)C(=O)O[C@H]1C[C@@H]2[C@@]([C@H](C[C@H]([C@@]23[C@H](O[C@H](C3=C1)OC(=O)C)OC(=O)C)OC(=O)C4=CC=NC=C4)C)(C)CCC(=C)C=C
InChI: InChI=1S/C35H45NO9/c1-9-20(3)11-14-34(8)22(5)17-29(44-31(40)25-12-15-36-16-13-25)35-27(32(41-23(6)37)45-33(35)42-24(7)38)18-26(19-28(34)35)43-30(39)21(4)10-2/h9,12-13,15-16,18,21-22,26,28-29,32-33H,1,3,10-11,14,17,19H2,2,4-8H3/t21?,22-,26+,28+,29+,32+,33-,34-,35-/m0/s1
SMILES: CC1=CC=CN2C1=NC3=C(C2=O)C[C@]4([C@H]5N3CCC6=CC=CC=C56)C(=O)NC(=O)N(C4=O)CC7=CC=CC=C7
InChI: InChI=1S/C30H25N5O4/c1-18-8-7-14-34-24(18)31-25-22(26(34)36)16-30(23-21-12-6-5-11-20(21)13-15-33(23)25)27(37)32-29(39)35(28(30)38)17-19-9-3-2-4-10-19/h2-12,14,23H,13,15-17H2,1H3,(H,32,37,39)/t23-,30-/m0/s1
SMILES: C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@]4(C#C)O)C
InChI: InChI=1S/C21H30O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,14,16-18,23H,5-13H2,2-3H3/t14-,16-,17+,18-,19+,20-,21-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)N)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)F
InChI: InChI=1S/C23H34FN3O4/c1-21(2,3)31-20(30)26-17(19(29)27-15-5-14(15)6-16(27)18(25)28)22-7-12-4-13(8-22)10-23(24,9-12)11-22/h12-17H,4-11H2,1-3H3,(H2,25,28)(H,26,30)/t12-,13+,14-,15-,16-,17+,22?,23?/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H](/C=N/O[C@H](C)C2=CN(N=N2)[C@@H]3COC[C@H]3O)[C@H](C)/C=C/CC(=O)OC
InChI: InChI=1S/C24H33N5O7S/c1-16-8-10-19(11-9-16)37(32,33)27-20(17(2)6-5-7-24(31)34-4)12-25-36-18(3)21-13-29(28-26-21)22-14-35-15-23(22)30/h5-6,8-13,17-18,20,22-23,27,30H,7,14-15H2,1-4H3/b6-5+,25-12+/t17-,18-,20-,22-,23-/m1/s1
SMILES: C[C@@H]1[C@H]([C@@]2(C(C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)OC(=O)CCCCCCCCC(=O)O
InChI: InChI=1S/C32H46O10/c1-18-14-23-30(39,27(18)38)16-21(17-33)15-22-26-29(4,5)32(26,42-20(3)34)28(19(2)31(22,23)40)41-25(37)13-11-9-7-6-8-10-12-24(35)36/h14-15,19,22-23,26,28,33,39-40H,6-13,16-17H2,1-5H3,(H,35,36)/t19-,22+,23-,26?,28-,30-,31-,32-/m1/s1
SMILES: C1C2C=CC1[C@@H]3[C@H]2C(=O)N(S3(=O)=O)C4=C(C(=CC=C4)Cl)F
InChI: InChI=1S/C14H11ClFNO3S/c15-9-2-1-3-10(12(9)16)17-14(18)11-7-4-5-8(6-7)13(11)21(17,19)20/h1-5,7-8,11,13H,6H2/t7?,8?,11-,13+/m0/s1
SMILES: CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)CN2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C23H39N5O3/c1-4-5-11-27(20-21(24)28(13-16(2)3)23(31)25-22(20)30)19(29)15-26-12-10-17-8-6-7-9-18(17)14-26/h16-18H,4-15,24H2,1-3H3,(H,25,30,31)/t17-,18+/m0/s1
SMILES: CC1=CN(C(=O)N=C1NC(=O)C2=CC=CC=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O)OCCNC(=O)C(F)(F)F
InChI: InChI=1S/C42H41F3N4O9/c1-26-24-49(40(53)48-36(26)47-37(51)27-10-6-4-7-11-27)38-35(56-23-22-46-39(52)42(43,44)45)34(50)33(58-38)25-57-41(28-12-8-5-9-13-28,29-14-18-31(54-2)19-15-29)30-16-20-32(55-3)21-17-30/h4-21,24,33-35,38,50H,22-23,25H2,1-3H3,(H,46,52)(H,47,48,51,53)/t33-,34-,35-,38-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C/C=C\[C@H]2[C@@H](CO[C@H](O2)C3=CC=C(C=C3)OC)O[C@H]1C=C
InChI: InChI=1S/C24H36O5Si/c1-8-19-21(29-30(6,7)24(2,3)4)11-9-10-20-22(27-19)16-26-23(28-20)17-12-14-18(25-5)15-13-17/h8-10,12-15,19-23H,1,11,16H2,2-7H3/b10-9-/t19-,20-,21+,22+,23+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)N2C[C@H]3C[C@@H]([C@H]3C2)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C22H32N2O3/c1-14-4-9-20(21(25)10-14)22(2,3)23-12-16-11-18(19(16)13-23)15-5-7-17(8-6-15)24(26)27/h5-8,14,16,18-21,25H,4,9-13H2,1-3H3/t14-,16-,18-,19+,20-,21-/m1/s1
SMILES: CC1([C@@H]2C[C@@H]1[C@H](C(=O)C2)CP(=O)(CC3=CC=CC=C3)CC4=CC=CC=C4)C
InChI: InChI=1S/C24H29O2P/c1-24(2)20-13-22(24)21(23(25)14-20)17-27(26,15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,20-22H,13-17H2,1-2H3/t20-,21-,22-/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)CNC(=O)CCC(=O)O)CSC4=CC=CC=C4
InChI: InChI=1S/C30H33NO6S/c1-20-26(19-38-25-5-3-2-4-6-25)36-30(37-29(20)23-11-9-22(18-32)10-12-23)24-13-7-21(8-14-24)17-31-27(33)15-16-28(34)35/h2-14,20,26,29-30,32H,15-19H2,1H3,(H,31,33)(H,34,35)/t20-,26+,29+,30+/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]2[C@H](C(=O)N(C2=O)C3=CC=CC=C3F)[C@@]4(N1)C5=CC=CC=C5NC4=O)O
InChI: InChI=1S/C21H18FN3O4/c1-10(26)17-15-16(19(28)25(18(15)27)14-9-5-3-7-12(14)22)21(24-17)11-6-2-4-8-13(11)23-20(21)29/h2-10,15-17,24,26H,1H3,(H,23,29)/t10-,15+,16-,17-,21+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(C(CO)O)C(C(C(=O)O)O)O)O)O)O)O
InChI: InChI=1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3?,4-,5-,6+,7?,8?,9-,10?,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)CNC(=O)[C@@H]4CCCN4C(=O)C(F)(F)F)CN5C=NC(=C5Cl)Cl
InChI: InChI=1S/C30H31Cl2F3N4O5/c1-17-23(14-38-16-37-25(31)26(38)32)43-28(44-24(17)20-8-6-19(15-40)7-9-20)21-10-4-18(5-11-21)13-36-27(41)22-3-2-12-39(22)29(42)30(33,34)35/h4-11,16-17,22-24,28,40H,2-3,12-15H2,1H3,(H,36,41)/t17-,22+,23+,24+,28+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]
InChI: InChI=1S/C15H20N2O3/c1-10-5-3-4-6-13(10)16-14-8-7-12(11(2)18)9-15(14)17(19)20/h7-10,13,16H,3-6H2,1-2H3/t10-,13+/m1/s1
SMILES: C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N3C(=O)[C@@H]4[C@@H](C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI: InChI=1S/C30H21NO5S/c32-29-27-25-21-10-4-5-11-22(21)26(24-13-7-6-12-23(24)25)28(27)30(33)31(29)18-14-16-19(17-15-18)36-37(34,35)20-8-2-1-3-9-20/h1-17,25-28H/t25?,26?,27-,28-/m0/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC4=CC=CC=C4)C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(CC6=CC7=C(C=C6)OCO7)C(=O)OCCC=C)OCC=C
InChI: InChI=1S/C60H81N3O11/c1-4-7-9-10-11-12-13-14-15-21-32-61-58(66)73-47-29-31-52-50(39-47)56-48(27-20-23-34-65)46(26-19-22-33-64)38-49-51(62-72-42-44-24-17-16-18-25-44)40-55(60(74-52,57(49)56)71-35-6-3)63(59(67)68-36-8-5-2)41-45-28-30-53-54(37-45)70-43-69-53/h5-6,16-18,24-25,28-31,37-39,46,48,55-57,64-65H,2-4,7-15,19-23,26-27,32-36,40-43H2,1H3,(H,61,66)/t46-,48+,55-,56+,57+,60+/m0/s1
SMILES: COC1=CC=CC=C1NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)[O-])C34CC4
InChI: InChI=1S/C18H19NO4/c1-23-13-5-3-2-4-12(13)19-16(20)14-10-6-7-11(15(14)17(21)22)18(10)8-9-18/h2-7,10-11,14-15H,8-9H2,1H3,(H,19,20)(H,21,22)/p-1/t10-,11+,14-,15-/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2N3CCN(CC3)C4C5CC6CC(C5)CC4C6
InChI: InChI=1S/C21H34N2/c1-2-17-8-14(1)13-20(17)22-3-5-23(6-4-22)21-18-9-15-7-16(11-18)12-19(21)10-15/h14-21H,1-13H2/t14-,15?,16?,17+,18?,19?,20-,21?/m0/s1
SMILES: CCOC(=O)C1[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C14H12ClNO4/c1-2-20-14(19)11-9-10(11)13(18)16(12(9)17)8-5-3-7(15)4-6-8/h3-6,9-11H,2H2,1H3/t9-,10+,11?
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@H]3[C@@H](C2=O)[C@H](N4[C@@H]3C5=CC=CC=C5C=C4)C(=O)C6=CC(=CC=C6)[N+](=O)[O-]
InChI: InChI=1S/C28H20N4O8/c1-40-21-10-9-18(32(38)39)14-20(21)30-27(34)22-23(28(30)35)25(26(33)16-6-4-7-17(13-16)31(36)37)29-12-11-15-5-2-3-8-19(15)24(22)29/h2-14,22-25H,1H3/t22-,23+,24+,25-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](N[C@H]([C@H]([C@@H]2O1)O)CO[Si](C)(C)C(C)(C)C)CO)C
InChI: InChI=1S/C16H33NO5Si/c1-15(2,3)23(6,7)20-9-11-12(19)14-13(10(8-18)17-11)21-16(4,5)22-14/h10-14,17-19H,8-9H2,1-7H3/t10-,11+,12-,13-,14+/m1/s1
SMILES: CCC[C@@](C)([C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1OS(=O)(=O)C)C(=O)OC)NC(=O)OC(C)(C)C)NC(=O)C)OC
InChI: InChI=1S/C22H40N2O9S/c1-10-11-22(6,31-8)18(23-13(2)25)16-15(24-20(27)32-21(3,4)5)12-14(19(26)30-7)17(16)33-34(9,28)29/h14-18H,10-12H2,1-9H3,(H,23,25)(H,24,27)/t14-,15+,16-,17+,18+,22-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=CC=C(C=C2)F
InChI: InChI=1S/C17H24FNOS/c1-11-5-4-6-16(12(11)2)19-17(20)13(3)21-15-9-7-14(18)8-10-15/h7-13,16H,4-6H2,1-3H3,(H,19,20)/t11-,12-,13-,16+/m1/s1