EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCN(CC)C(=S)OC[C@@H]1[C@H](C[C@H](O1)N2C=C(C(=O)NC2=O)C)OC(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C23H29N3O6S/c1-5-25(6-2)23(33)30-13-18-17(32-21(28)16-9-7-14(3)8-10-16)11-19(31-18)26-12-15(4)20(27)24-22(26)29/h7-10,12,17-19H,5-6,11,13H2,1-4H3,(H,24,27,29)/t17-,18+,19-/m0/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3N)C[N+]4=CC=C(C=C4)C5=CN=CO5
InChI: InChI=1S/C24H23N4O5S/c1-31-18-4-2-15(3-5-18)12-32-24(30)21-17(13-34-23-20(25)22(29)28(21)23)11-27-8-6-16(7-9-27)19-10-26-14-33-19/h2-10,14,20,23H,11-13,25H2,1H3/q+1/t20-,23-/m1/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=CC=C3)CCCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI: InChI=1S/C30H33F2NO/c1-33-26-17-18-29(33)27(28(20-26)21-6-3-2-4-7-21)8-5-19-34-30(22-9-13-24(31)14-10-22)23-11-15-25(32)16-12-23/h2-4,6-7,9-16,26-30H,5,8,17-20H2,1H3/t26-,27-,28+,29+/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@@]([C@@H]3CCC4[C@@H]5CC(=O)C6C[C@H](CC[C@@]6(C5CC4[C@@H]3CN2C1)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)O
InChI: InChI=1S/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18?,19?,20-,21-,22+,23?,24?,26+,27+,28+,29-,30+,31+,32+,33-/m0/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CCOCCO)[C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCC6=CC=CC=C6F)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C58H80FN3O12/c1-3-5-6-7-8-9-10-11-12-19-35-70-57(66)61(30-36-69-37-33-65)54-40-52(60-73-41-43-24-26-46(27-25-43)62(67)68)49-38-44(20-15-17-31-63)48(22-16-18-32-64)55-50-39-47(71-42-45-21-13-14-23-51(45)59)28-29-53(50)74-58(54,56(49)55)72-34-4-2/h4,13-14,21,23-29,38-39,44,48,54-56,63-65H,2-3,5-12,15-20,22,30-37,40-42H2,1H3/t44-,48+,54-,55+,56+,58+/m0/s1
SMILES: CCOC(=O)N(C)[C@@H]1C[C@@H]2N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N(C7=C53)[C@]([C@@H]1OC)(O2)C)C(=O)NC6=O
InChI: InChI=1S/C31H28N4O6/c1-5-40-30(38)33(3)19-14-20-34-17-12-8-6-10-15(17)21-23-24(29(37)32-28(23)36)22-16-11-7-9-13-18(16)35(26(22)25(21)34)31(2,41-20)27(19)39-4/h6-13,19-20,27H,5,14H2,1-4H3,(H,32,36,37)/t19-,20-,27-,31+/m1/s1
SMILES: C1[C@H](C=C[C@]23[C@H]1N(C[C@@H]2O)[C@@H](C4=CC5=C(C=C34)OCO5)O)O
InChI: InChI=1S/C16H17NO5/c18-8-1-2-16-10-5-12-11(21-7-22-12)4-9(10)15(20)17(6-14(16)19)13(16)3-8/h1-2,4-5,8,13-15,18-20H,3,6-7H2/t8-,13-,14-,15+,16-/m0/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CCC2=C(CCC[C@]12C)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C24H36O3S/c1-18(10-8-16-23(2,3)25)20-14-15-21-22(13-9-17-24(20,21)4)28(26,27)19-11-6-5-7-12-19/h5-7,11-12,18,20,25H,8-10,13-17H2,1-4H3/t18-,20-,24-/m1/s1
SMILES: C[C@@]12CCCC([C@@]13[C@H](O3)[C@@H]([C@H]2C4=COC=C4)O)(C)C
InChI: InChI=1S/C16H22O3/c1-14(2)6-4-7-15(3)11(10-5-8-18-9-10)12(17)13-16(14,15)19-13/h5,8-9,11-13,17H,4,6-7H2,1-3H3/t11-,12-,13-,15+,16+/m1/s1
SMILES: CC([C@H]1CC23C=C[C@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)C)OC)(C7CCCCC7)O
InChI: InChI=1S/C28H37NO4/c1-25(31,18-7-5-4-6-8-18)20-16-26-11-12-28(20,32-3)24-27(26)13-14-29(2)21(26)15-17-9-10-19(30)23(33-24)22(17)27/h9-12,18,20-21,24,30-31H,4-8,13-16H2,1-3H3/t20-,21-,24-,25?,26?,27+,28+/m1/s1
SMILES: C1=C[C@H]2[C@H]3[C@H]([C@@H]1O2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)[O-]
InChI: InChI=1S/C15H11NO5/c17-13-11-9-5-6-10(21-9)12(11)14(18)16(13)8-3-1-7(2-4-8)15(19)20/h1-6,9-12H,(H,19,20)/p-1/t9-,10+,11-,12-/m0/s1
SMILES: C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)NC(=O)[C@@H]4CC=CC[C@H]4C(=O)O
InChI: InChI=1S/C23H24N2O5S/c26-22(19-8-2-3-9-20(19)23(27)28)24-17-11-13-18(14-12-17)31(29,30)25-15-5-7-16-6-1-4-10-21(16)25/h1-4,6,10-14,19-20H,5,7-9,15H2,(H,24,26)(H,27,28)/t19-,20-/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)CNC(=O)[C@@H](CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)CN7CCC(CC7)(C8=CC=C(C=C8)Cl)O
InChI: InChI=1S/C53H56ClN3O7S/c1-36-14-24-47(25-15-36)65(61,62)56-48(31-38-8-4-3-5-9-38)51(59)55-33-40-10-6-11-42(30-40)43-12-7-13-44(32-43)52-63-49(37(2)50(64-52)41-18-16-39(35-58)17-19-41)34-57-28-26-53(60,27-29-57)45-20-22-46(54)23-21-45/h3-25,30,32,37,48-50,52,56,58,60H,26-29,31,33-35H2,1-2H3,(H,55,59)/t37-,48-,49+,50+,52+/m1/s1
SMILES: C1[C@@H]([C@@H](N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
InChI: InChI=1S/C23H20N2O2/c26-21-16-20(23(27)24-18-12-6-2-7-13-18)22(17-10-4-1-5-11-17)25(21)19-14-8-3-9-15-19/h1-15,20,22H,16H2,(H,24,27)/t20-,22-/m0/s1
SMILES: COC1=CC=CC(=C1)[C@@H]2[C@H](N3[C@H](C2(C#N)C#N)C=CC4=C3C=CC5=CC=CC=C54)C(=O)C6=CC=CC=C6
InChI: InChI=1S/C32H23N3O2/c1-37-24-12-7-11-23(18-24)29-30(31(36)22-9-3-2-4-10-22)35-27-16-14-21-8-5-6-13-25(21)26(27)15-17-28(35)32(29,19-33)20-34/h2-18,28-30H,1H3/t28-,29+,30-/m0/s1
SMILES: C[C@H]1[C@H]([C@H](CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C(=O)C)O)N)O
InChI: InChI=1S/C26H27NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3/t9-,13-,15-,16?,21+,26-/m0/s1
SMILES: C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)CN4C(=O)[C@H]5CCCC[C@@H]5C4=O
InChI: InChI=1S/C24H34N2O5/c1-14(24-9-15-6-16(10-24)8-17(7-15)11-24)25-20(27)13-31-21(28)12-26-22(29)18-4-2-3-5-19(18)23(26)30/h14-19H,2-13H2,1H3,(H,25,27)/t14-,15?,16?,17?,18+,19+,24?/m1/s1
SMILES: CCCCC[C@@H]\1[C@@H]([NH+]([C@@H](C/C1=N/O)C2=CC=CC=C2)C)C3=CC=CC=C3
InChI: InChI=1S/C23H30N2O/c1-3-4-7-16-20-21(24-26)17-22(18-12-8-5-9-13-18)25(2)23(20)19-14-10-6-11-15-19/h5-6,8-15,20,22-23,26H,3-4,7,16-17H2,1-2H3/p+1/b24-21-/t20-,22-,23-/m0/s1
SMILES: C/C(=C\C1=CC=CC=C1)/C(=O)OC2=C3C4=C(C[C@@H]5[C@H]6[C@]4(CCN5C)[C@@H](O3)[C@H](C=C6)O)C=C2
InChI: InChI=1S/C27H27NO4/c1-16(14-17-6-4-3-5-7-17)26(30)31-22-11-8-18-15-20-19-9-10-21(29)25-27(19,12-13-28(20)2)23(18)24(22)32-25/h3-11,14,19-21,25,29H,12-13,15H2,1-2H3/b16-14+/t19-,20+,21-,25-,27-/m0/s1
SMILES: CC1=NN=C(S1)NC(=O)[C@H]2[C@H]3[C@@H]([C@@H]4[C@@H](O2)OC(O4)(C)C)OC(O3)(C)C
InChI: InChI=1S/C15H21N3O6S/c1-6-17-18-13(25-6)16-11(19)9-7-8(22-14(2,3)21-7)10-12(20-9)24-15(4,5)23-10/h7-10,12H,1-5H3,(H,16,18,19)/t7-,8+,9-,10-,12+/m1/s1
SMILES: C=C[C@H]1[C@@H](O1)C[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O
InChI: InChI=1S/C32H36O6/c1-2-26-27(37-26)18-28-30(33)32(36-21-25-16-10-5-11-17-25)31(35-20-24-14-8-4-9-15-24)29(38-28)22-34-19-23-12-6-3-7-13-23/h2-17,26-33H,1,18-22H2/t26-,27-,28+,29+,30-,31+,32+/m0/s1
SMILES: C[C@]1(C(=O)N(C(=O)N1)[C@@H]2CS(=O)(=O)C[C@@H]2O)C3=CC=C(C=C3)OC
InChI: InChI=1S/C15H18N2O6S/c1-15(9-3-5-10(23-2)6-4-9)13(19)17(14(20)16-15)11-7-24(21,22)8-12(11)18/h3-6,11-12,18H,7-8H2,1-2H3,(H,16,20)/t11-,12+,15-/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)N=[N+]=[N-])F
InChI: InChI=1S/C9H10FN5O4/c10-6-7(13-14-11)4(3-16)19-8(6)15-2-1-5(17)12-9(15)18/h1-2,4,6-8,16H,3H2,(H,12,17,18)/t4-,6-,7-,8-/m1/s1
SMILES: CCO[C@@H]1[C@H](C(=O)N1)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C13H27NO3Si/c1-8-16-12-10(11(15)14-12)9(2)17-18(6,7)13(3,4)5/h9-10,12H,8H2,1-7H3,(H,14,15)/t9-,10+,12-/m1/s1
SMILES: CC(C)(C)OC(=O)NC[C@@H]1[C@H]([C@@H]([C@@H](N1C(=O)OC(C)(C)C)CC#N)O)O
InChI: InChI=1S/C17H29N3O6/c1-16(2,3)25-14(23)19-9-11-13(22)12(21)10(7-8-18)20(11)15(24)26-17(4,5)6/h10-13,21-22H,7,9H2,1-6H3,(H,19,23)/t10-,11+,12+,13+/m0/s1
SMILES: C[C@@H](CC[C@@H]1C(=C)CCC2[C@]1(CCCC2(C)C)C)CCOC(=O)NC3=CC=C(C=C3)Br
InChI: InChI=1S/C27H40BrNO2/c1-19(15-18-31-25(30)29-22-11-9-21(28)10-12-22)7-13-23-20(2)8-14-24-26(3,4)16-6-17-27(23,24)5/h9-12,19,23-24H,2,6-8,13-18H2,1,3-5H3,(H,29,30)/t19-,23+,24?,27-/m0/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)Cl)O
InChI: InChI=1S/C9H11ClN2O5/c10-6-4(3-13)17-8(7(6)15)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6-,7-,8-/m1/s1
SMILES: CC(C)CC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@@H]2S1)C3=CC(=CC=C3)Cl
InChI: InChI=1S/C16H19ClN2O3S2/c1-10(2)6-15(20)18-16-19(12-5-3-4-11(17)7-12)13-8-24(21,22)9-14(13)23-16/h3-5,7,10,13-14H,6,8-9H2,1-2H3/t13-,14-/m0/s1
SMILES: CN1C(=O)N2CC=C3[C@H](N2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C=CC5=CC(=C(C=C5)O)OC)C6=CC=C(C=C6)OC)NC7=C(C=C(C=C7)Cl)Cl
InChI: InChI=1S/C35H31Cl2N5O7/c1-39-33(46)40-15-14-23-24(11-4-19-5-13-29(43)30(16-19)49-3)35(20-6-9-22(48-2)10-7-20)25(18-28(23)42(40)34(39)47)31(44)41(32(35)45)38-27-12-8-21(36)17-26(27)37/h4-14,16-17,24-25,28,38,43H,15,18H2,1-3H3/t24-,25-,28+,35-/m0/s1
SMILES: CC(C)(C)C(=O)[C@H]1[C@@H](C2([C@@H]3N1C=C(C=C3)C#N)C(=O)C4=CC=CC=C4C2=O)C5=CC=CC=C5
InChI: InChI=1S/C28H24N2O3/c1-27(2,3)26(33)23-22(18-9-5-4-6-10-18)28(21-14-13-17(15-29)16-30(21)23)24(31)19-11-7-8-12-20(19)25(28)32/h4-14,16,21-23H,1-3H3/t21-,22+,23-/m1/s1
SMILES: C[C@H](CCC(C)C1=CCOC1=O)[C@H]2CC[C@@]3([C@@]2(CC=C4[C@H]3C[C@@H]([C@@H]5[C@@]4(C[C@@H]([C@H]([C@@H]5O)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)O)C)C
InChI: InChI=1S/C30H46O15S3/c1-16(18-10-13-42-27(18)32)6-7-17(2)19-8-11-30(5)21-14-22(43-46(33,34)35)24-25(31)26(45-48(39,40)41)23(44-47(36,37)38)15-28(24,3)20(21)9-12-29(19,30)4/h9-10,16-17,19,21-26,31H,6-8,11-15H2,1-5H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)/t16?,17-,19-,21-,22+,23+,24+,25-,26-,28-,29-,30+/m1/s1
SMILES: CC(=O)[C@]1(CC[C@H]2[C@@]1(CC[C@@H]3[C@H]2CC(=C)C4=CC(=O)CC[C@@]34C)C)O
InChI: InChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12,16-18,25H,1,5-11H2,2-4H3/t16-,17-,18-,20+,21+,22+/m1/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CC4=CC=CC=C4)C(=O)CC5CC6CCC5C6)C(=O)NCCO)CO
InChI: InChI=1S/C33H40N2O7/c1-41-27-14-21(18-37)13-24-29-25(33(40)34-9-10-36)16-26(30(39)32(29)42-31(24)27)35(17-19-5-3-2-4-6-19)28(38)15-23-12-20-7-8-22(23)11-20/h2-6,13-14,16,20,22-23,26,29-30,32,36-37,39H,7-12,15,17-18H2,1H3,(H,34,40)/t20?,22?,23?,26-,29+,30+,32+/m1/s1
SMILES: CC(=O)OC1=CC(=CC(=C1)[C@@]23[C@@H]4CC=C[C@@H]4[C@@](C2(C)C)(N=N3)C5=CC(=CC(=C5)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C30H30N2O8/c1-16(33)37-22-10-20(11-23(14-22)38-17(2)34)29-26-8-7-9-27(26)30(32-31-29,28(29,5)6)21-12-24(39-18(3)35)15-25(13-21)40-19(4)36/h7-8,10-15,26-27H,9H2,1-6H3/t26-,27+,29-,30+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H]([C@@H]([C@@H](O3)OC[C@@H]4[C@H]([C@@H]([C@H](O4)OCCCCCCCCC(=O)OC)OC(=O)C5=CC=CC=C5)OCC6=CC=CC=C6)O)OCC7=CC=CC=C7
InChI: InChI=1S/C57H70O12Si/c1-57(2,3)70(45-32-20-12-21-33-45,46-34-22-13-23-35-46)66-41-48-51(63-38-42-26-14-9-15-27-42)50(59)55(67-48)65-40-47-52(64-39-43-28-16-10-17-29-43)53(69-54(60)44-30-18-11-19-31-44)56(68-47)62-37-25-8-6-5-7-24-36-49(58)61-4/h9-23,26-35,47-48,50-53,55-56,59H,5-8,24-25,36-41H2,1-4H3/t47-,48-,50+,51-,52-,53+,55-,56+/m1/s1
SMILES: CC(=O)N1C[C@@H]([C@H]([C@@H]1[C@@H]2[C@@H]([C@H](CO2)OC(=O)C)O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H23NO9/c1-7(18)17-5-11(24-8(2)19)15(26-10(4)21)13(17)16-14(22)12(6-23-16)25-9(3)20/h11-16,22H,5-6H2,1-4H3/t11-,12-,13+,14+,15+,16+/m0/s1
SMILES: CC1=CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CN4CCN(CC4)C(=O)C)C
InChI: InChI=1S/C21H30N2O3/c1-14-5-4-6-21(3)12-19-16(11-18(14)21)17(20(25)26-19)13-22-7-9-23(10-8-22)15(2)24/h5,11,16-17,19H,4,6-10,12-13H2,1-3H3/t16-,17-,19-,21-/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@H](C[C@@H]2[C@]1(C2)C=O)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C28H37NO4Si/c1-26(2,3)33-25(31)29-22(17-21-18-28(21,29)20-30)19-32-34(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,20-22H,17-19H2,1-6H3/t21-,22+,28-/m0/s1
SMILES: C[C@H](C1=CC=CC2=CC=CC=C21)NC(=O)[C@@H]3C[C@]3(C)COC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C25H23N3O7/c1-15(20-9-5-7-16-6-3-4-8-21(16)20)26-23(29)22-13-25(22,2)14-35-24(30)17-10-18(27(31)32)12-19(11-17)28(33)34/h3-12,15,22H,13-14H2,1-2H3,(H,26,29)/t15-,22+,25-/m1/s1
SMILES: CCN1C(=NC2=C1C=CC(=C2)C(=O)N/N=C\3/CC[C@@H]4CCCC[C@H]4C3)C
InChI: InChI=1S/C21H28N4O/c1-3-25-14(2)22-19-13-17(9-11-20(19)25)21(26)24-23-18-10-8-15-6-4-5-7-16(15)12-18/h9,11,13,15-16H,3-8,10,12H2,1-2H3,(H,24,26)/b23-18-/t15-,16-/m0/s1
SMILES: C[C@@]12CC[C@H]([C@]([C@H]1CC=C3[C@H]2CCC4[C@H]3OCC4=C)(C)COC5[C@@]67[C@H](CCC([C@H]6[C@@H]([C@](O5)(C89C7CCC([C@H]8O)C(=C)[C@H]9O)O)O)(C)C)O)O
InChI: InChI=1S/C40H58O9/c1-19-17-47-29-21(19)7-10-24-23(29)9-11-25-36(24,5)16-14-27(41)37(25,6)18-48-34-38-26-12-8-22-20(2)31(43)39(26,32(22)44)40(46,49-34)33(45)30(38)35(3,4)15-13-28(38)42/h9,21-22,24-34,41-46H,1-2,7-8,10-18H2,3-6H3/t21?,22?,24-,25+,26?,27-,28+,29-,30-,31-,32-,33+,34?,36+,37-,38+,39?,40+/m1/s1
SMILES: CC1([C@@H]2CC[C@]1([C@H](C2)N3C(=O)C(NC3=O)CCC(=O)N)CS(=O)(=O)N4CCC5(CCC6=CC=CC=C65)CC4)C
InChI: InChI=1S/C29H40N4O5S/c1-27(2)20-10-12-29(27,23(17-20)33-25(35)22(31-26(33)36)7-8-24(30)34)18-39(37,38)32-15-13-28(14-16-32)11-9-19-5-3-4-6-21(19)28/h3-6,20,22-23H,7-18H2,1-2H3,(H2,30,34)(H,31,36)/t20-,22?,23+,29-/m1/s1
SMILES: CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5CCC[C@]2(O5)C=C1OC)OCO4)O)O
InChI: InChI=1S/C29H39NO10/c1-27(2,33)8-5-9-28(34,16-23(31)36-4)26(32)39-25-22(35-3)15-29-10-6-11-30(40-29)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)29/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28-,29+/m1/s1
SMILES: CCOC1(O[C@H]2[C@H]3[C@@H](CO[C@H](O3)C4=CC=CC=C4)O[C@H]([C@H]2O1)O[C@@H]5[C@H](O[C@H]([C@@H]6[C@H]5OC(O6)(C7=CC=CC=C7)OCC)OCC8=CC=CC=C8)COC(=O)C9=CC=CC=C9)C1=CC=CC=C1
InChI: InChI=1S/C51H52O14/c1-3-56-50(36-26-16-8-17-27-36)62-42-41(38(31-53-46(52)34-22-12-6-13-23-34)58-48(44(42)64-50)54-30-33-20-10-5-11-21-33)61-49-45-43(63-51(65-45,57-4-2)37-28-18-9-19-29-37)40-39(59-49)32-55-47(60-40)35-24-14-7-15-25-35/h5-29,38-45,47-49H,3-4,30-32H2,1-2H3/t38-,39-,40-,41-,42+,43+,44+,45+,47-,48-,49+,50?,51?/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)COC(=O)C2=CC=CC(=C2O)C)C(C)C
InChI: InChI=1S/C20H28O5/c1-12(2)15-9-8-13(3)10-17(15)25-18(21)11-24-20(23)16-7-5-6-14(4)19(16)22/h5-7,12-13,15,17,22H,8-11H2,1-4H3/t13-,15+,17-/m1/s1
SMILES: CC(C)S(=O)(=O)N(C)[C@@H]1[C@H](C(OC2=C1C=C(C=C2)C(=O)C(F)(F)F)(C)C)O
InChI: InChI=1S/C17H22F3NO5S/c1-9(2)27(24,25)21(5)13-11-8-10(14(22)17(18,19)20)6-7-12(11)26-16(3,4)15(13)23/h6-9,13,15,23H,1-5H3/t13-,15+/m0/s1
SMILES: CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)C3=CC=C(C=C3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=C6
InChI: InChI=1S/C28H28N2O6S/c1-4-35-27(34)22-18-12-28(2,3)36-13-19(18)37-24(22)29-23(31)14-7-9-17(10-8-14)30-25(32)20-15-5-6-16(11-15)21(20)26(30)33/h5-10,15-16,20-21H,4,11-13H2,1-3H3,(H,29,31)/t15-,16+,20-,21-/m0/s1
SMILES: C1C=C[C@@H]2[C@@H]1CN3C[C@H]4CC=C[C@@H]4C5=C3C2=CC(=C5)C(=O)[O-]
InChI: InChI=1S/C19H19NO2/c21-19(22)13-7-16-14-5-1-3-11(14)9-20-10-12-4-2-6-15(12)17(8-13)18(16)20/h1-2,5-8,11-12,14-15H,3-4,9-10H2,(H,21,22)/p-1/t11-,12+,14+,15-
SMILES: CCCN([C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC(=C(C=C5)C)C)OCC=C)CCCCO)CCCCO)C(=O)OCCOCC6=CC=CC=C6
InChI: InChI=1S/C52H70N2O9/c1-8-25-54(50(57)59-30-29-58-35-38-17-11-10-12-18-38)47-34-45(53-63-51(5,6)7)43-32-39(19-13-15-26-55)42(20-14-16-27-56)48-44-33-41(61-40-22-21-36(3)37(4)31-40)23-24-46(44)62-52(47,49(43)48)60-28-9-2/h9-12,17-18,21-24,31-33,39,42,47-49,55-56H,2,8,13-16,19-20,25-30,34-35H2,1,3-7H3/t39-,42+,47-,48+,49+,52+/m0/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@]3(C2=O)C)C=C4
InChI: InChI=1S/C18H19NO3/c1-3-22-14-8-6-13(7-9-14)19-16(20)15-11-4-5-12(10-11)18(15,2)17(19)21/h4-9,11-12,15H,3,10H2,1-2H3/t11-,12+,15+,18+/m1/s1
SMILES: CC(=O)C(C1/C(=C\[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C(N5[C@H](S1)[C@@H](C5=O)NC(=O)COC6=CC=CC=C6)C(=O)OC)[O-]
InChI: InChI=1S/C38H35N2O7PS/c1-25(41)34(43)35-30(24-48(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29)33(38(45)46-2)40-36(44)32(37(40)49-35)39-31(42)23-47-26-15-7-3-8-16-26/h3-22,24,32-35,37H,23H2,1-2H3,(H,39,42)/b30-24-/t32-,33?,34?,35?,37-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H](C(O2)S(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C40H40O6S/c41-47(35-24-14-5-15-25-35)40-39(45-29-34-22-12-4-13-23-34)38(44-28-33-20-10-3-11-21-33)37(43-27-32-18-8-2-9-19-32)36(46-40)30-42-26-31-16-6-1-7-17-31/h1-25,36-40H,26-30H2/t36-,37-,38+,39-,40?,47?/m1/s1
SMILES: COC(=O)C1=CC(=CC=C1)NC(=S)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3N4C=C(N=N4)COC5=CC=CC=C5
InChI: InChI=1S/C24H25N5O5S/c1-31-23(30)15-6-5-7-16(10-15)25-24(35)26-19-13-33-22-20(14-34-21(19)22)29-11-17(27-28-29)12-32-18-8-3-2-4-9-18/h2-11,19-22H,12-14H2,1H3,(H2,25,26,35)/t19-,20-,21+,22+/m0/s1
SMILES: C[C@H]1[C@H](C2=C([C@H](O1)C)C(=O)C3=C(C2=O)C=C(C=C3O)O)O
InChI: InChI=1S/C15H14O6/c1-5-10-12(13(18)6(2)21-5)14(19)8-3-7(16)4-9(17)11(8)15(10)20/h3-6,13,16-18H,1-2H3/t5-,6+,13-/m1/s1
SMILES: CC1=C2[C@H](C[C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)[C@H](C1)O)O)OC(=O)C)C)O
InChI: InChI=1S/C22H34O5/c1-11-9-14(24)19-20(26)18-12(2)16(27-13(3)23)7-8-22(18,6)10-15(25)17(11)21(19,4)5/h14-16,18-20,24-26H,2,7-10H2,1,3-6H3/t14-,15-,16-,18-,19-,20-,22-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)OC3=C(C=CC=N3)[N+](=O)[O-])O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O
InChI: InChI=1S/C24H34N2O18/c1-8(28)38-6-12-15(31)20(43-23-18(34)16(32)13(29)10(5-27)40-23)19(35)24(42-12)41-11-7-39-22(17(33)14(11)30)44-21-9(26(36)37)3-2-4-25-21/h2-4,10-20,22-24,27,29-35H,5-7H2,1H3/t10-,11-,12-,13+,14+,15+,16+,17-,18-,19-,20+,22+,23+,24-/m1/s1
SMILES: C1=CC(=CC=C1/C=C\C2=C3[C@@H]([C@H](OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=C6C(C(OC6=C5)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O)O
InChI: InChI=1S/C42H32O9/c43-28-9-2-22(3-10-28)1-4-25-15-33(48)21-36-37(25)38(41(51-36)23-5-11-29(44)12-6-23)27-18-34(49)40-35(19-27)50-42(24-7-13-30(45)14-8-24)39(40)26-16-31(46)20-32(47)17-26/h1-21,38-39,41-49H/b4-1-/t38-,39?,41+,42?/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C(=O)N)O
InChI: InChI=1S/C34H28ClFN4O7/c1-47-20-10-11-22(26(41)14-20)28-21-12-13-23-27(31(44)39(29(23)42)33(37)46)24(21)15-25-30(43)40(38-19-8-6-18(36)7-9-19)32(45)34(25,28)16-2-4-17(35)5-3-16/h2-12,14,23-25,27-28,38,41H,13,15H2,1H3,(H2,37,46)/t23-,24+,25-,27-,28+,34+/m0/s1
SMILES: CCOC(=O)[C@H]1C[C@H]([C@H](N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3[C@H](CC[C@@H]3C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C30H31N3O5/c1-2-38-30(35)25-19-24(28(31-25)22-13-15-23(16-14-22)33(36)37)29(34)32-26(20-9-5-3-6-10-20)17-18-27(32)21-11-7-4-8-12-21/h3-16,24-28,31H,2,17-19H2,1H3/t24-,25-,26-,27-,28-/m1/s1
SMILES: C1CC1C[NH2+][C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC4=NC=CC(=N4)C5=CC=CO5
InChI: InChI=1S/C18H22N4O3/c1-2-15(23-7-1)12-5-6-19-18(21-12)22-14-10-25-16-13(9-24-17(14)16)20-8-11-3-4-11/h1-2,5-7,11,13-14,16-17,20H,3-4,8-10H2,(H,19,21,22)/p+1/t13-,14-,16+,17+/m0/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)NC4=O)O
InChI: InChI=1S/C23H18BrNO5/c1-9-3-2-4-11(20(9)27)17-10-5-6-12-18(23(30)25-22(12)29)13(10)7-14-19(17)16(26)8-15(24)21(14)28/h2-5,8,12-13,17-18,27H,6-7H2,1H3,(H,25,29,30)/t12-,13+,17+,18-/m0/s1
SMILES: CCCOC1=C(C=C(C=C1)C(=O)N/N=C\C2=CC=C(O2)[C@H]3C[C@H]3C)OC
InChI: InChI=1S/C20H24N2O4/c1-4-9-25-18-7-5-14(11-19(18)24-3)20(23)22-21-12-15-6-8-17(26-15)16-10-13(16)2/h5-8,11-13,16H,4,9-10H2,1-3H3,(H,22,23)/b21-12-/t13-,16+/m1/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](CCC2=CC=C(S2)Br)O)C/C=C\CCCC(=O)NS(=O)(=O)C(F)(F)F)O
InChI: InChI=1S/C22H29BrF3NO6S2/c23-20-12-10-15(34-20)9-7-14(28)8-11-17-16(18(29)13-19(17)30)5-3-1-2-4-6-21(31)27-35(32,33)22(24,25)26/h1,3,8,10-12,14,16-19,28-30H,2,4-7,9,13H2,(H,27,31)/b3-1-,11-8+/t14-,16+,17+,18-,19+/m0/s1
SMILES: C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@H]1OCC7=CC=C(C=C7)C8=CC=CC=C8)OC5=C(C=C4)O)O
InChI: InChI=1S/C33H35NO4/c35-26-13-12-25-18-28-33(36)15-14-27(37-20-22-8-10-24(11-9-22)23-4-2-1-3-5-23)31-32(33,29(25)30(26)38-31)16-17-34(28)19-21-6-7-21/h1-5,8-13,21,27-28,31,35-36H,6-7,14-20H2/t27-,28+,31-,32-,33+/m0/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)/C=C/C4=CC=C(C=C4)C#N)C
InChI: InChI=1S/C20H22N2O3S/c1-19(2)16-9-10-20(19)13-26(24,25)22(17(20)11-16)18(23)8-7-14-3-5-15(12-21)6-4-14/h3-8,16-17H,9-11,13H2,1-2H3/b8-7+/t16-,17-,20-/m1/s1
SMILES: COC1=CC=CC=C1[C@H]2[C@@H]3CCCC[C@@]3(CCN2C(=O)OC)O
InChI: InChI=1S/C18H25NO4/c1-22-15-9-4-3-7-13(15)16-14-8-5-6-10-18(14,21)11-12-19(16)17(20)23-2/h3-4,7,9,14,16,21H,5-6,8,10-12H2,1-2H3/t14-,16-,18-/m0/s1
SMILES: CC1=CC(=C(C(=C1[C@@H]2[C@H]3CCCC=C3[C@@H](C(=N)C2(C#N)C#N)C#N)C)[N+](=O)[O-])C
InChI: InChI=1S/C22H21N5O2/c1-12-8-13(2)20(27(28)29)14(3)18(12)19-16-7-5-4-6-15(16)17(9-23)21(26)22(19,10-24)11-25/h6,8,16-17,19,26H,4-5,7H2,1-3H3/t16-,17-,19-/m0/s1
SMILES: C[C@]1(C=C[C@@H]([C@H]1N2[C@@H]([C@@H](OC2=O)C3=CC=CC=C3)C4=CC=CC=C4)N5C(=O)CCC5=O)OC
InChI: InChI=1S/C26H26N2O5/c1-26(32-2)16-15-19(27-20(29)13-14-21(27)30)24(26)28-22(17-9-5-3-6-10-17)23(33-25(28)31)18-11-7-4-8-12-18/h3-12,15-16,19,22-24H,13-14H2,1-2H3/t19-,22+,23-,24+,26+/m0/s1
SMILES: CCN(CC)C1=NS(=O)(=O)[C@@]2([C@]1(N=NC2C(=O)OCC)C3=CC=CC=C3)C
InChI: InChI=1S/C18H24N4O4S/c1-5-22(6-2)16-18(13-11-9-8-10-12-13)17(4,27(24,25)20-16)14(19-21-18)15(23)26-7-3/h8-12,14H,5-7H2,1-4H3/t14?,17-,18-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]3[C@@H](C=CO2)[C@@H]([C@H]4[C@@]3(O4)COC(=O)C)OC(=O)C5=CC=C(C=C5)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C34H38O18/c1-15(35)43-13-24-27(46-18(4)38)28(47-19(5)39)29(48-20(6)40)33(49-24)51-32-25-23(11-12-42-32)26(30-34(25,52-30)14-44-16(2)36)50-31(41)21-7-9-22(10-8-21)45-17(3)37/h7-12,23-30,32-33H,13-14H2,1-6H3/t23-,24-,25-,26+,27-,28+,29-,30+,32+,33+,34-/m1/s1
SMILES: C1[C@@]2([C@H](O1)[C@@H]([C@H](O2)CO)O)N3C=CC(=O)NC3=O
InChI: InChI=1S/C10H12N2O6/c13-3-5-7(15)8-10(18-5,4-17-8)12-2-1-6(14)11-9(12)16/h1-2,5,7-8,13,15H,3-4H2,(H,11,14,16)/t5-,7-,8-,10-/m1/s1
SMILES: C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)N)O)NC(=O)[C@H](CN)O)N)N
InChI: InChI=1S/C21H42N6O10/c22-4-7-1-2-8(24)20(34-7)36-17-9(25)3-10(27-19(33)11(29)5-23)18(16(17)32)37-21-15(31)13(26)14(30)12(6-28)35-21/h7-18,20-21,28-32H,1-6,22-26H2,(H,27,33)/t7-,8+,9-,10+,11-,12+,13-,14-,15+,16+,17+,18-,20+,21+/m0/s1
SMILES: CC1=CC(=C(C=C1)OC(C)(C)[C@@H]2OC[C@@H]([C@@H](O2)C3=CN=CC=C3)C/C=C\CCC(=O)OC)[N+](=O)[O-]
InChI: InChI=1S/C26H32N2O7/c1-18-12-13-22(21(15-18)28(30)31)35-26(2,3)25-33-17-20(9-6-5-7-11-23(29)32-4)24(34-25)19-10-8-14-27-16-19/h5-6,8,10,12-16,20,24-25H,7,9,11,17H2,1-4H3/b6-5-/t20-,24-,25+/m0/s1
SMILES: CC1=C[C@@H]([C@@H]2[C@@H]([C@@H]3[C@]1(C[C@@H]([C@@]3(C)O)Cl)O)OC(=O)C2=C)OC(=O)C
InChI: InChI=1S/C17H21ClO6/c1-7-5-10(23-9(3)19)12-8(2)15(20)24-13(12)14-16(4,21)11(18)6-17(7,14)22/h5,10-14,21-22H,2,6H2,1,3-4H3/t10-,11-,12+,13-,14-,16+,17+/m0/s1
SMILES: C[C@]1([C@H]2[C@@H]([C@H](N1)C3=C(C=CC(=C3)Br)O)C(=O)N(C2=O)C4=CC=CC=C4)C(=O)O
InChI: InChI=1S/C20H17BrN2O5/c1-20(19(27)28)15-14(16(22-20)12-9-10(21)7-8-13(12)24)17(25)23(18(15)26)11-5-3-2-4-6-11/h2-9,14-16,22,24H,1H3,(H,27,28)/t14-,15-,16+,20-/m0/s1
SMILES: CC1=C[C@@H]2[C@]([C@H](C1=O)O)([C@]3(C[C@@H]([C@H](C34CO4)O2)O)C)CO
InChI: InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9+,11-,12+,13+,14+,15?/m0/s1
SMILES: CCN(CC)CCS(=O)[C@@H]1CCN2[C@@H]1C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC3=NC(=CO3)C2=O)O)/C)C)C(C)C
InChI: InChI=1S/C34H50N4O8S/c1-7-37(8-2)16-17-47(44)28-13-15-38-31(28)34(43)46-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-45-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9+,12-11+,23-18+/t24-,25-,28-,31+,32-,47?/m1/s1
SMILES: CC(=O)C1=CC[C@@H]2[C@@]1(CC=C3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h7,10,16-18,20H,5-6,8-9,11-13H2,1-4H3/t16-,17-,18-,20-,22-,23+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=[N+]=[N-].C1CC1[C@@]2(C3=C(C=CC(=C3)Cl)NC(=O)N2)C#CC4=CC=CC=N4
InChI: InChI=1S/C18H14ClN3O.C10H16N5O13P3/c19-13-6-7-16-15(11-13)18(12-4-5-12,22-17(23)21-16)9-8-14-3-1-2-10-20-14;1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h1-3,6-7,10-12H,4-5H2,(H2,21,22,23);3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t18-;6-,7+,8+/m10/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)C4=C(C(=CC=C4)Cl)Cl)O
InChI: InChI=1S/C31H41Cl2N3O3/c1-31(2,3)35-30(39)26-17-21-12-7-8-13-22(21)18-36(26)19-27(37)25(16-20-10-5-4-6-11-20)34-29(38)23-14-9-15-24(32)28(23)33/h4-6,9-11,14-15,21-22,25-27,37H,7-8,12-13,16-19H2,1-3H3,(H,34,38)(H,35,39)/t21-,22+,25-,26-,27-/m0/s1