EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=C2C[C@H]3[C@@H](C[C@]2(CCC1)C)OC(=O)[C@H]3CN4CCN(CC4)C5=CC=CC=C5
InChI: InChI=1S/C25H34N2O2/c1-18-7-6-10-25(2)16-23-20(15-22(18)25)21(24(28)29-23)17-26-11-13-27(14-12-26)19-8-4-3-5-9-19/h3-5,8-9,20-21,23H,6-7,10-17H2,1-2H3/t20-,21+,23-,25-/m1/s1
SMILES: CCOC(=O)C[C@@H]1[C@H]2CCCN2C(=O)[C@H]1S(=O)C3=CC=CC=C3
InChI: InChI=1S/C17H21NO4S/c1-2-22-15(19)11-13-14-9-6-10-18(14)17(20)16(13)23(21)12-7-4-3-5-8-12/h3-5,7-8,13-14,16H,2,6,9-11H2,1H3/t13-,14-,16+,23?/m1/s1
SMILES: C1=CC=C2C(=C1)C=C(C=N2)CC3=CC=CC=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C22H23NO6/c24-12-18-19(25)20(26)21(27)22(29-18)28-17-8-4-2-6-15(17)10-13-9-14-5-1-3-7-16(14)23-11-13/h1-9,11,18-22,24-27H,10,12H2/t18-,19-,20+,21-,22-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC[C@@H](C[NH+]2CCC(CC2)CC3=CC=CC=C3)O)C(C)C
InChI: InChI=1S/C25H41NO2/c1-19(2)24-10-9-20(3)15-25(24)28-18-23(27)17-26-13-11-22(12-14-26)16-21-7-5-4-6-8-21/h4-8,19-20,22-25,27H,9-18H2,1-3H3/p+1/t20-,23-,24+,25-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1C[C@H]2NC(=O)/C=C/C3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C16H17Cl2NO/c17-13-5-3-11(14(18)9-13)4-6-16(20)19-15-8-10-1-2-12(15)7-10/h3-6,9-10,12,15H,1-2,7-8H2,(H,19,20)/b6-4+/t10-,12+,15-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]([C@H]2C(=O)O)C(=O)NC3=CC=C(C=C3)C(=O)O
InChI: InChI=1S/C16H17NO5/c18-14(17-11-5-3-8(4-6-11)15(19)20)12-9-1-2-10(7-9)13(12)16(21)22/h3-6,9-10,12-13H,1-2,7H2,(H,17,18)(H,19,20)(H,21,22)/t9-,10+,12+,13+/m1/s1
SMILES: CC(C)/C=C/C[C@@](C)([C@@H]1[C@H]2CC[C@@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@]3([C@@]2(C[C@@H]1O)C)C)(C)C)C)O
InChI: InChI=1S/C30H50O3/c1-19(2)10-9-15-30(8,33)25-20-11-12-23-27(5)16-14-24(32)26(3,4)22(27)13-17-28(23,6)29(20,7)18-21(25)31/h9-10,19-23,25,31,33H,11-18H2,1-8H3/b10-9+/t20-,21+,22+,23-,25-,27+,28-,29-,30+/m1/s1
SMILES: CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)O)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CC=CC=C5)NC(=O)OC6CCC6
InChI: InChI=1S/C38H44N4O8/c1-6-23-20-38(23,35(45)46)41-33(43)30-18-26(21-42(30)34(44)32(37(2,3)4)40-36(47)50-24-13-10-14-24)49-31-19-28(22-11-8-7-9-12-22)39-29-17-25(48-5)15-16-27(29)31/h6-9,11-12,15-17,19,23-24,26,30,32H,1,10,13-14,18,20-21H2,2-5H3,(H,40,47)(H,41,43)(H,45,46)/t23-,26-,30+,32-,38-/m1/s1
SMILES: CC(C)CN(CC(=O)N(CC1=CC=CN1C)C2CC2)C(=O)[C@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C25H33N3O2/c1-18(2)15-27(25(30)23-14-22(23)19-8-5-4-6-9-19)17-24(29)28(20-11-12-20)16-21-10-7-13-26(21)3/h4-10,13,18,20,22-23H,11-12,14-17H2,1-3H3/t22-,23-/m0/s1
SMILES: CC1=CC(=C(C=C1)C)N2[C@H]3CS(=O)(=O)C[C@H]3SC2=NC(=O)CCCC(=O)[O-]
InChI: InChI=1S/C18H22N2O5S2/c1-11-6-7-12(2)13(8-11)20-14-9-27(24,25)10-15(14)26-18(20)19-16(21)4-3-5-17(22)23/h6-8,14-15H,3-5,9-10H2,1-2H3,(H,22,23)/p-1/t14-,15+/m0/s1
SMILES: C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C30H46O3/c1-18(2)19(3)8-9-20(4)24-10-11-25-28-26(13-15-30(24,25)7)29(6)14-12-23(33-21(5)31)16-22(29)17-27(28)32/h17-18,20,23-26,28H,3,8-16H2,1-2,4-7H3/t20-,23+,24-,25+,26+,28+,29+,30-/m1/s1
SMILES: C1=CC=C2C(=C1)C3[C@@H]4[C@H](C2(C5=CC=CC=C35)COCC6=CC(=CC=C6)COCC78[C@@H]9[C@H](C(C1=CC=CC=C17)C1=CC=CC=C81)C(=O)NC9=O)C(=O)NC4=O
InChI: InChI=1S/C46H36N2O6/c49-41-37-35-27-12-1-5-16-31(27)45(39(37)43(51)47-41,32-17-6-2-13-28(32)35)23-53-21-25-10-9-11-26(20-25)22-54-24-46-33-18-7-3-14-29(33)36(30-15-4-8-19-34(30)46)38-40(46)44(52)48-42(38)50/h1-20,35-40H,21-24H2,(H,47,49,51)(H,48,50,52)/t35?,36?,37-,38+,39+,40-,45?,46?
SMILES: CO[C@@H]1[C@@H]([C@@H]2[C@H]([C@H](O1)CO)OC(=O)[C@H](CC=CC[C@@H](C(=O)O2)CC3=NC4=CC=CC=C4O3)CC5=NC6=CC=CC=C6O5)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C38H36N2O11/c1-45-38-34(51-35(42)22-11-3-2-4-12-22)33-32(29(21-41)48-38)49-36(43)23(19-30-39-25-15-7-9-17-27(25)46-30)13-5-6-14-24(37(44)50-33)20-31-40-26-16-8-10-18-28(26)47-31/h2-12,15-18,23-24,29,32-34,38,41H,13-14,19-21H2,1H3/t23-,24-,29-,32+,33+,34-,38+/m1/s1
SMILES: CCOC(=O)[C@H]1CN2[C@H](CN(C(=O)[C@@H]2[C@@H]1CCO)CC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H30N2O4/c1-2-31-25(30)21-16-27-22(19-11-7-4-8-12-19)17-26(15-18-9-5-3-6-10-18)24(29)23(27)20(21)13-14-28/h3-12,20-23,28H,2,13-17H2,1H3/t20-,21+,22-,23+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]([C@@H]([C@@H]([C@@]2(C)C(=O)OC(C)(C)C)O)O)O
InChI: InChI=1S/C18H27NO7S/c1-11-6-8-12(9-7-11)27(24,25)19-10-13(20)14(21)15(22)18(19,5)16(23)26-17(2,3)4/h6-9,13-15,20-22H,10H2,1-5H3/t13-,14+,15+,18+/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\C(COC3=O)O)(C)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI: InChI=1S/C26H40O10/c1-13-4-7-18-25(2,15(13)6-5-14-16(28)11-34-23(14)33)9-8-19(29)26(18,3)12-35-24-22(32)21(31)20(30)17(10-27)36-24/h5,15-22,24,27-32H,1,4,6-12H2,2-3H3/b14-5+/t15-,16?,17-,18+,19-,20-,21+,22-,24-,25+,26+/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)C4=CC=CC=C4CNC(=O)CCCCCNC(=O)C)CN(C)[C@H](C)C5=CC6=CC=CC=C6C=C5
InChI: InChI=1S/C47H55N3O5/c1-32-44(30-50(4)33(2)40-26-21-36-12-7-8-13-41(36)28-40)54-47(55-46(32)38-19-17-35(31-51)18-20-38)39-24-22-37(23-25-39)43-15-10-9-14-42(43)29-49-45(53)16-6-5-11-27-48-34(3)52/h7-10,12-15,17-26,28,32-33,44,46-47,51H,5-6,11,16,27,29-31H2,1-4H3,(H,48,52)(H,49,53)/t32-,33+,44+,46+,47+/m0/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)C5=C(C(=C(C(=C5F)F)F)F)F)CSC6=C(C=CC=N6)C(=O)O
InChI: InChI=1S/C39H31F5N2O6S/c1-20-28(19-53-37-27(38(49)50)9-4-14-45-37)51-39(52-35(20)23-12-10-21(18-47)11-13-23)26-8-3-7-25(16-26)24-6-2-5-22(15-24)17-46-36(48)29-30(40)32(42)34(44)33(43)31(29)41/h2-16,20,28,35,39,47H,17-19H2,1H3,(H,46,48)(H,49,50)/t20-,28+,35+,39+/m0/s1
SMILES: CCOC(=O)[C@@H]1C[C@@H]1CN(CC2=NN(C(=C2)C)C)C(=O)COCCOCCOC
InChI: InChI=1S/C20H33N3O6/c1-5-29-20(25)18-11-16(18)12-23(13-17-10-15(2)22(3)21-17)19(24)14-28-9-8-27-7-6-26-4/h10,16,18H,5-9,11-14H2,1-4H3/t16-,18-/m1/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)CCC7=CC=C(C=C7)O)I)O
InChI: InChI=1S/C35H24Cl2F5IN2O7/c1-52-20-11-14(10-19(43)29(20)47)22-16-6-7-17-21(31(49)44(30(17)48)9-8-13-2-4-15(46)5-3-13)18(16)12-34(36)32(50)45(33(51)35(22,34)37)28-26(41)24(39)23(38)25(40)27(28)42/h2-6,10-11,17-18,21-22,46-47H,7-9,12H2,1H3/t17-,18+,21-,22-,34+,35-/m0/s1
SMILES: COC1=CC=CC=C1C(=O)NNC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C17H18N2O5/c1-24-12-5-3-2-4-11(12)15(20)18-19-16(21)13-9-6-7-10(8-9)14(13)17(22)23/h2-7,9-10,13-14H,8H2,1H3,(H,18,20)(H,19,21)(H,22,23)/t9-,10+,13-,14+/m1/s1
SMILES: C[C@@H](CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C[C@H]([C@H](C4=O)CC[Si](C)(C)C5=CC=CC=C5)O)COC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C60H62O4Si/c1-46(26-25-42-63-59(48-27-11-4-12-28-48,49-29-13-5-14-30-49)50-31-15-6-16-32-50)57-47(44-56(61)55(58(57)62)41-43-65(2,3)54-39-23-10-24-40-54)45-64-60(51-33-17-7-18-34-51,52-35-19-8-20-36-52)53-37-21-9-22-38-53/h4-24,27-40,46,55-56,61H,25-26,41-45H2,1-3H3/t46-,55+,56+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)C(=O)N)C(=O)[O-]
InChI: InChI=1S/C15H18N2O4/c16-13(18)9-5-7-10(8-6-9)17-14(19)11-3-1-2-4-12(11)15(20)21/h5-8,11-12H,1-4H2,(H2,16,18)(H,17,19)(H,20,21)/p-1/t11-,12-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@]3(CC[C@H]([C@H]3O2)O)O
InChI: InChI=1S/C12H16N2O5/c1-6-5-14(11(17)13-10(6)16)8-4-12(18)3-2-7(15)9(12)19-8/h5,7-9,15,18H,2-4H2,1H3,(H,13,16,17)/t7-,8-,9-,12+/m1/s1
SMILES: C[C@@]12[C@H]3CCC14CC[C@@H]5[C@]4([C@H]([C@@H]2OC(=O)C3)OC5=O)C
InChI: InChI=1S/C16H20O4/c1-14-8-3-5-16(14)6-4-9-13(18)20-12(15(9,16)2)11(14)19-10(17)7-8/h8-9,11-12H,3-7H2,1-2H3/t8-,9-,11-,12-,14-,15-,16?/m0/s1
SMILES: CC1C(OC2(O1)C=CC(=O)[C@H]3[C@@H]2ON4[C@@H]3CCCC4)C
InChI: InChI=1S/C15H21NO4/c1-9-10(2)19-15(18-9)7-6-12(17)13-11-5-3-4-8-16(11)20-14(13)15/h6-7,9-11,13-14H,3-5,8H2,1-2H3/t9?,10?,11-,13+,14+,15?/m1/s1
SMILES: CCN1[C@@H]([C@](C2=C1C3=CC=CC=C3CC2)(/C=C/OCC)C4=CC=CC=C4)C
InChI: InChI=1S/C25H29NO/c1-4-26-19(3)25(17-18-27-5-2,21-12-7-6-8-13-21)23-16-15-20-11-9-10-14-22(20)24(23)26/h6-14,17-19H,4-5,15-16H2,1-3H3/b18-17+/t19-,25-/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)CN4CCC5(CC4)C(=O)NCN5C6=CC=CC=C6
InChI: InChI=1S/C37H44N4O7/c1-25-31(22-40-19-17-37(18-20-40)36(46)39-24-41(37)30-5-3-2-4-6-30)47-35(48-34(25)28-11-9-27(23-42)10-12-28)29-13-7-26(8-14-29)21-38-32(43)15-16-33(44)45/h2-14,25,31,34-35,42H,15-24H2,1H3,(H,38,43)(H,39,46)(H,44,45)/t25-,31+,34+,35+/m0/s1
SMILES: C1=COC(=C1)[C@H]2[C@@H](O2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C12H9NO4/c14-13(15)9-5-3-8(4-6-9)11-12(17-11)10-2-1-7-16-10/h1-7,11-12H/t11-,12-/m0/s1
SMILES: CCC1=CC=C(C=C1)C(=O)O[C@@]2([C@H](CC3[C@@]2(C[C@@H]([C@]4(C3C[C@@H](C5=CC(=O)C=C[C@@]54C)F)Cl)O)C)C)C(=O)OC
InChI: InChI=1S/C31H36ClFO6/c1-6-18-7-9-19(10-8-18)26(36)39-31(27(37)38-5)17(2)13-21-22-15-24(33)23-14-20(34)11-12-28(23,3)30(22,32)25(35)16-29(21,31)4/h7-12,14,17,21-22,24-25,35H,6,13,15-16H2,1-5H3/t17-,21?,22?,24-,25-,28-,29-,30-,31-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NS(=O)(=O)C2=CC=CC=C2Br
InChI: InChI=1S/C14H20BrNO2S/c1-10-6-5-8-13(11(10)2)16-19(17,18)14-9-4-3-7-12(14)15/h3-4,7,9-11,13,16H,5-6,8H2,1-2H3/t10-,11-,13+/m1/s1
SMILES: CC(C)(C)ON=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)C6=CC=CC=C6)CCCCO)CCCCO)OCC=C)SCCC7=CC=NC=C7
InChI: InChI=1S/C50H60N2O6S/c1-5-30-55-50-46(59-31-25-35-23-26-51-27-24-35)34-44(52-58-49(2,3)4)42-32-38(15-9-11-28-53)41(16-10-12-29-54)47(48(42)50)43-33-40(21-22-45(43)57-50)56-39-19-17-37(18-20-39)36-13-7-6-8-14-36/h5-8,13-14,17-24,26-27,32-33,38,41,46-48,53-54H,1,9-12,15-16,25,28-31,34H2,2-4H3/t38-,41+,46-,47+,48+,50+/m0/s1
SMILES: CCCCC/C=C/CC[C@@H](N1[C@@H]([C@@H](N(C1=O)C)C)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C27H36N2O3S/c1-4-5-6-7-8-9-16-21-25(33(31,32)24-19-14-11-15-20-24)29-26(22(2)28(3)27(29)30)23-17-12-10-13-18-23/h8-15,17-20,22,25-26H,4-7,16,21H2,1-3H3/b9-8+/t22-,25-,26-/m0/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CCC)[C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC(=O)NCC6=CC=CC=C6)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C56H83N3O10/c1-4-7-8-9-10-11-12-13-14-23-37-65-55(63)59(32-5-2)50-40-48(58-69-51-29-20-24-36-64-51)46-38-43(27-18-21-33-60)45(28-19-22-34-61)52-47-39-44(67-54(62)57-41-42-25-16-15-17-26-42)30-31-49(47)68-56(50,53(46)52)66-35-6-3/h6,15-17,25-26,30-31,38-39,43,45,50-53,60-61H,3-5,7-14,18-24,27-29,32-37,40-41H2,1-2H3,(H,57,62)/t43-,45+,50-,51?,52+,53+,56+/m0/s1
SMILES: C[C@@H]\1CC(=O)/C=C(\C[C@@H]([C@H]2[C@@H](CC[C@@]2(/C=C1)C)C(C)(C)OC(=O)C)OC(=O)C)/C
InChI: InChI=1S/C24H36O5/c1-15-8-10-24(7)11-9-20(23(5,6)29-18(4)26)22(24)21(28-17(3)25)14-16(2)13-19(27)12-15/h8,10,13,15,20-22H,9,11-12,14H2,1-7H3/b10-8+,16-13-/t15-,20+,21-,22+,24-/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1Br)NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H23BrN2O3/c1-12(13-6-4-5-9-16(13)20)21-17(23)10-11-22-18(24)14-7-2-3-8-15(14)19(22)25/h4-6,9,12,14-15H,2-3,7-8,10-11H2,1H3,(H,21,23)/t12-,14-,15-/m0/s1
SMILES: CC1=CC[C@@H]([C@@H]2[C@H]1C[C@@H](OC2=O)[C@H](C)OCOC)C(C)C
InChI: InChI=1S/C17H28O4/c1-10(2)13-7-6-11(3)14-8-15(12(4)20-9-19-5)21-17(18)16(13)14/h6,10,12-16H,7-9H2,1-5H3/t12-,13+,14-,15+,16+/m0/s1
SMILES: CC(C)(C)C(=O)OC[C@@]1(CCC=C[C@H]1CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)OCC4=CC=C(C=C4)OC
InChI: InChI=1S/C37H48O5Si/c1-35(2,3)34(38)40-28-37(41-26-29-21-23-31(39-7)24-22-29)25-15-14-16-30(37)27-42-43(36(4,5)6,32-17-10-8-11-18-32)33-19-12-9-13-20-33/h8-14,16-24,30H,15,25-28H2,1-7H3/t30-,37+/m0/s1
SMILES: CC1=C([C@@H]2[C@@](C2(C3=CC=CC=C3)C4=CC=CC=C4)(C(=C1)O)C)O
InChI: InChI=1S/C21H20O2/c1-14-13-17(22)20(2)19(18(14)23)21(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,19,22-23H,1-2H3/t19-,20+/m1/s1
SMILES: C1C[C@H]2[C@@H](C[C@@H]1N2)NC(=O)C3=CC=C(S3)C4=CC(=CC=C4)S(=O)(=O)N
InChI: InChI=1S/C17H19N3O3S2/c18-25(22,23)12-3-1-2-10(8-12)15-6-7-16(24-15)17(21)20-14-9-11-4-5-13(14)19-11/h1-3,6-8,11,13-14,19H,4-5,9H2,(H,20,21)(H2,18,22,23)/t11-,13+,14-/m1/s1
SMILES: C[C@@H]1CC2=C(C=CC(=C2)O)[C@@H]3[C@@H]1[C@@H]4C[C@@H]([C@@H]([C@]4(CC3)C)O)Cl
InChI: InChI=1S/C19H25ClO2/c1-10-7-11-8-12(21)3-4-13(11)14-5-6-19(2)15(17(10)14)9-16(20)18(19)22/h3-4,8,10,14-18,21-22H,5-7,9H2,1-2H3/t10-,14-,15+,16+,17-,18+,19+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5
InChI: InChI=1S/C29H32O6/c1-30-29-24(19-31-17-21-11-5-2-6-12-21)26(32-18-22-13-7-3-8-14-22)27-25(34-29)20-33-28(35-27)23-15-9-4-10-16-23/h2-16,24-29H,17-20H2,1H3/t24-,25-,26-,27-,28-,29+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@@](C[C@H](O3)OC)(CO)O
InChI: InChI=1S/C23H32O5Si/c1-22(2,3)29(18-11-7-5-8-12-18,19-13-9-6-10-14-19)27-16-20-23(25,17-24)15-21(26-4)28-20/h5-14,20-21,24-25H,15-17H2,1-4H3/t20-,21+,23-/m1/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)F)C5=CC=C(C=C5)O
InChI: InChI=1S/C23H16ClFN2O4/c24-17-11-8-15(12-18(17)25)26-22(29)19-20(13-6-9-16(28)10-7-13)27(31-21(19)23(26)30)14-4-2-1-3-5-14/h1-12,19-21,28H/t19-,20+,21+/m0/s1
SMILES: CCOC(=O)O[C@H]1CC[C@]2(C(C1)CCC3C2CC[C@]4(C3CC5C4[C@@H]([C@]6(O5)CC[C@@H](CO6)C)C)C)C
InChI: InChI=1S/C30H48O5/c1-6-32-27(31)34-21-10-12-28(4)20(15-21)7-8-22-23(28)11-13-29(5)24(22)16-25-26(29)19(3)30(35-25)14-9-18(2)17-33-30/h18-26H,6-17H2,1-5H3/t18-,19-,20?,21-,22?,23?,24?,25?,26?,28-,29-,30+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](NC(=O)N[C@]1(C(F)(F)F)O)C2=C(C(=CC=C2)OC)OC
InChI: InChI=1S/C16H19F3N2O6/c1-4-27-13(22)10-11(8-6-5-7-9(25-2)12(8)26-3)20-14(23)21-15(10,24)16(17,18)19/h5-7,10-11,24H,4H2,1-3H3,(H2,20,21,23)/t10-,11+,15-/m0/s1
SMILES: COC(=O)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=CC6=CC=CC=C65)O)Cl)CBr)Cl
InChI: InChI=1S/C27H21BrCl2N2O7/c1-39-25(38)32-21(34)15-8-7-14-16(18(15)22(32)35)10-26(29)23(36)31(11-28)24(37)27(26,30)20(14)19-13-5-3-2-4-12(13)6-9-17(19)33/h2-7,9,15-16,18,20,33H,8,10-11H2,1H3/t15-,16+,18-,20+,26+,27-/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C3C=C(OC3=NC2=O)CCCCCCC4=CC=CC=C4)CO)O
InChI: InChI=1S/C23H28N2O5/c26-15-20-19(27)13-21(30-20)25-14-17-12-18(29-22(17)24-23(25)28)11-7-2-1-4-8-16-9-5-3-6-10-16/h3,5-6,9-10,12,14,19-21,26-27H,1-2,4,7-8,11,13,15H2/t19-,20+,21+/m0/s1
SMILES: CC1=CC(=O)[C@H]([C@]2([C@H]1[C@H]([C@@H]3C45[C@@H]2[C@H]([C@@H]([C@@]([C@@]4([C@H](C(=O)O3)O)O)(OC5)C)O)O)O)C)O
InChI: InChI=1S/C20H26O10/c1-6-4-7(21)12(24)17(2)8(6)9(22)15-19-5-29-18(3,13(25)10(23)11(17)19)20(19,28)14(26)16(27)30-15/h4,8-15,22-26,28H,5H2,1-3H3/t8-,9-,10-,11-,12-,13+,14+,15-,17+,18+,19?,20-/m1/s1
SMILES: C[C@@H]1C[C@]2([C@H]3C[C@@H]1CO[C@@H]3C4=CC=CC=C4O2)C
InChI: InChI=1S/C16H20O2/c1-10-8-16(2)13-7-11(10)9-17-15(13)12-5-3-4-6-14(12)18-16/h3-6,10-11,13,15H,7-9H2,1-2H3/t10-,11-,13+,15-,16+/m1/s1
SMILES: C[C@H]1[C@@]23C=C[C@@H]([C@H]([C@@H]2C(=O)N1C(=O)N[C@@H](C)C4=CC=CC5=CC=CC=C54)C6=CC=CC=C6)C7=CC=CC=C37
InChI: InChI=1S/C34H30N2O2/c1-21(25-17-10-14-23-11-6-7-15-26(23)25)35-33(38)36-22(2)34-20-19-28(27-16-8-9-18-29(27)34)30(31(34)32(36)37)24-12-4-3-5-13-24/h3-22,28,30-31H,1-2H3,(H,35,38)/t21-,22-,28+,30+,31+,34+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](CO[C@H]2O[C@H]3CC[C@]4(C([C@]3(C)CO)CC[C@@]5(C4CC=C6C5(CC[C@@]7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O)O
InChI: InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23?,24+,25?,26?,27-,28+,29-,30+,31+,32+,33-,34-,37-,38-,39?,40+,41-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC=CC=C2C(=O)N(C)CC3=CC=CC=C3
InChI: InChI=1S/C25H30N2O4/c1-18-10-6-9-15-22(18)26-23(28)17-31-25(30)21-14-8-7-13-20(21)24(29)27(2)16-19-11-4-3-5-12-19/h3-5,7-8,11-14,18,22H,6,9-10,15-17H2,1-2H3,(H,26,28)/t18-,22-/m1/s1
SMILES: C[C@@H]1[C@@H](OC(O[C@@H]1CCCCOCC2=CC=C(C=C2)OC)(C)C)C
InChI: InChI=1S/C20H32O4/c1-15-16(2)23-20(3,4)24-19(15)8-6-7-13-22-14-17-9-11-18(21-5)12-10-17/h9-12,15-16,19H,6-8,13-14H2,1-5H3/t15-,16+,19-/m1/s1
SMILES: CSCC[C@@H](C(=O)O)NC(=O)[C@@H]1CC[C@@H]([C@H](O1)CNC(=O)[C@H](CS)N)O
InChI: InChI=1S/C15H27N3O6S2/c1-26-5-4-9(15(22)23)18-14(21)11-3-2-10(19)12(24-11)6-17-13(20)8(16)7-25/h8-12,19,25H,2-7,16H2,1H3,(H,17,20)(H,18,21)(H,22,23)/t8-,9-,10-,11-,12+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)N(N=N3)CC(=O)NC4=CC=CC=C4)Cl
InChI: InChI=1S/C19H16ClN5O3/c1-11-7-8-13(9-14(11)20)25-18(27)16-17(19(25)28)24(23-22-16)10-15(26)21-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3,(H,21,26)/t16-,17-/m1/s1
SMILES: C[C@@H]1C[C@H]([C@H]2CC=CN([C@H]2C1)C(=O)OCC3=CC=CC=C3)CC=O
InChI: InChI=1S/C20H25NO3/c1-15-12-17(9-11-22)18-8-5-10-21(19(18)13-15)20(23)24-14-16-6-3-2-4-7-16/h2-7,10-11,15,17-19H,8-9,12-14H2,1H3/t15-,17-,18-,19+/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)C[S@](=O)[C@@H]2CCCC[C@@H]2OC(=O)CC[NH+]3CCCCC3
InChI: InChI=1S/C25H39NO3S/c1-25(2,3)21-13-11-20(12-14-21)19-30(28)23-10-6-5-9-22(23)29-24(27)15-18-26-16-7-4-8-17-26/h11-14,22-23H,4-10,15-19H2,1-3H3/p+1/t22-,23+,30-/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)[C@H]2[C@H](C(=O)NC(=C2C#N)SCC(=O)NCC3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C26H27N3O4S/c1-16(2)18-9-11-19(12-10-18)22-20(13-27)25(29-24(31)23(22)26(32)33-3)34-15-21(30)28-14-17-7-5-4-6-8-17/h4-12,16,22-23H,14-15H2,1-3H3,(H,28,30)(H,29,31)/t22-,23-/m1/s1
SMILES: CS(=O)(=O)OC1[C@@H]([C@H](C([C@H]([C@@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C42H44O8S/c1-51(43,44)50-42-40(48-30-35-23-13-5-14-24-35)38(46-28-33-19-9-3-10-20-33)37(45-27-32-17-7-2-8-18-32)39(47-29-34-21-11-4-12-22-34)41(42)49-31-36-25-15-6-16-26-36/h2-26,37-42H,27-31H2,1H3/t37?,38-,39+,40+,41-,42?
SMILES: CN(CC1=CC=C(C=C1)SC)C(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C21H24N2O5S/c1-22(11-14-7-9-15(29-2)10-8-14)18(24)13-28-19(25)12-23-20(26)16-5-3-4-6-17(16)21(23)27/h3-4,7-10,16-17H,5-6,11-13H2,1-2H3/t16-,17-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)N(C(=O)C(=O)N2OCC3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C22H22N4O8/c27-21-22(28)24(34-14-16-7-11-18(12-8-16)26(31)32)20-4-2-1-3-19(20)23(21)33-13-15-5-9-17(10-6-15)25(29)30/h5-12,19-20H,1-4,13-14H2/t19-,20-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)ON2C5=CC=C(C=C5)OC
InChI: InChI=1S/C25H21FN2O5/c1-31-19-11-3-15(4-12-19)22-21-23(33-28(22)18-9-13-20(32-2)14-10-18)25(30)27(24(21)29)17-7-5-16(26)6-8-17/h3-14,21-23H,1-2H3/t21-,22+,23+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C)CO)O)O
InChI: InChI=1S/C10H18N2O6/c1-4(14)11-7-9(17)8(16)6(3-13)18-10(7)12-5(2)15/h6-10,13,16-17H,3H2,1-2H3,(H,11,14)(H,12,15)/t6-,7-,8-,9-,10-/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)C
InChI: InChI=1S/C22H23NO3/c1-14-3-8-17(9-4-14)26-18-10-6-16(7-11-18)23-21(24)19-12-5-15(2)13-20(19)22(23)25/h3-4,6-11,15,19-20H,5,12-13H2,1-2H3/t15-,19-,20-/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=C(C(=CC=C4)OC)OC
InChI: InChI=1S/C20H18N2O6/c1-25-12-9-7-11(8-10-12)22-19(23)15-16(21-28-18(15)20(22)24)13-5-4-6-14(26-2)17(13)27-3/h4-10,15,18H,1-3H3/t15-,18+/m1/s1
SMILES: CCCN([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)OC6=CC7=CC=CC=C7C=C6)OCC=C)CCCCO)CCCCO)S(=O)(=O)C8=CC=CC9=C8N=CC=C9
InChI: InChI=1S/C56H60N4O10S/c1-3-29-59(71(65,66)51-19-11-16-40-17-12-28-57-55(40)51)52-36-49(58-68-37-38-20-23-43(24-21-38)60(63)64)47-34-42(15-7-9-30-61)46(18-8-10-31-62)53-48-35-45(69-44-25-22-39-13-5-6-14-41(39)33-44)26-27-50(48)70-56(52,54(47)53)67-32-4-2/h4-6,11-14,16-17,19-28,33-35,42,46,52-54,61-62H,2-3,7-10,15,18,29-32,36-37H2,1H3/t42-,46+,52-,53+,54+,56+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)[P@@]2[C@H](C(C2(C)C)(C)C)CP(C3=CC=CC=C3)C4=CC=CC=C4)C(C)C
InChI: InChI=1S/C30H44P2/c1-22(2)26-19-18-23(3)20-27(26)32-28(29(4,5)30(32,6)7)21-31(24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,22-23,26-28H,18-21H2,1-7H3/t23-,26+,27-,28+,32-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C#C)F)CC[C@@H]4[C@@]3(CC5=C(C4)ON=C5)C
InChI: InChI=1S/C22H28FNO/c1-4-22(23)10-8-18-16-6-5-15-11-19-14(13-24-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,13,15-18H,5-12H2,2-3H3/t15-,16+,17-,18-,20-,21-,22+/m0/s1
SMILES: COCCC(=O)N(CCC1=C(C=CC(=C1)OC)OC)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO
InChI: InChI=1S/C29H36N2O8/c1-36-15-11-25(33)31(13-10-18-16-19(37-2)8-9-23(18)38-3)22-17-21(29(35)30-12-14-32)26-20-6-4-5-7-24(20)39-28(26)27(22)34/h4-9,16-17,22,26-28,32,34H,10-15H2,1-3H3,(H,30,35)/t22-,26+,27+,28+/m1/s1
SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6C5N=CN=C6N)O)O)O)O)O
InChI: InChI=1S/C27H35N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-17,19-21,23,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14?,15?,16-,17?,19?,20-,21-,23?,26-/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C)C(C)C
InChI: InChI=1S/C21H31NO6S/c1-14(2)18-10-7-16(4)11-19(18)28-21(24)13-27-20(23)12-22-29(25,26)17-8-5-15(3)6-9-17/h5-6,8-9,14,16,18-19,22H,7,10-13H2,1-4H3/t16-,18-,19-/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)CCCC(=O)O)CN(C)C[C@H](C4=CC(=CC=C4)O)O
InChI: InChI=1S/C33H40N2O8/c1-21-29(19-35(2)18-28(38)25-5-3-6-27(37)17-25)42-33(43-32(21)23-11-9-22(20-36)10-12-23)24-13-15-26(16-14-24)34-30(39)7-4-8-31(40)41/h3,5-6,9-17,21,28-29,32-33,36-38H,4,7-8,18-20H2,1-2H3,(H,34,39)(H,40,41)/t21-,28-,29+,32+,33+/m1/s1
SMILES: CC1(C2=CC=CC3=C2N([C@]14C=C(C=C([C@H]4C(=O)C5=CC=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-])C7=CC=CC=C7)CCC3)C
InChI: InChI=1S/C37H32N2O3/c1-36(2)32-17-9-15-27-16-10-22-38(34(27)32)37(36)24-29(25-11-5-3-6-12-25)23-31(26-18-20-30(21-19-26)39(41)42)33(37)35(40)28-13-7-4-8-14-28/h3-9,11-15,17-21,23-24,33H,10,16,22H2,1-2H3/t33-,37-/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)C)C)CCCCO)CCCCO)OCC=C)SC6CCCC6
InChI: InChI=1S/C42H57NO6S/c1-5-23-46-42-39(50-33-14-7-8-15-33)27-37(43-47-6-2)35-25-30(13-9-11-21-44)34(16-10-12-22-45)40(41(35)42)36-26-32(19-20-38(36)49-42)48-31-18-17-28(3)29(4)24-31/h5,17-20,24-26,30,33-34,39-41,44-45H,1,6-16,21-23,27H2,2-4H3/t30-,34+,39-,40+,41+,42+/m0/s1
SMILES: C[C@H](/C=N/NC1=NC=CN1)[C@H]2CCC3[C@@]2(CCC4C3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
InChI: InChI=1S/C25H38N4O/c1-16(15-28-29-23-26-12-13-27-23)20-6-7-21-19-5-4-17-14-18(30)8-10-24(17,2)22(19)9-11-25(20,21)3/h4,12-13,15-16,18-22,30H,5-11,14H2,1-3H3,(H2,26,27,29)/b28-15+/t16-,18+,19?,20-,21?,22?,24+,25-/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2[C@H]3[C@H](C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OC)ON2C5=CC=CC=C5)O
InChI: InChI=1S/C26H22N2O7/c1-33-20-14-16(10-13-19(20)29)22-21-23(35-28(22)18-6-4-3-5-7-18)25(31)27(24(21)30)17-11-8-15(9-12-17)26(32)34-2/h3-14,21-23,29H,1-2H3/t21-,22-,23+/m0/s1
SMILES: CC#CC(=O)O[C@H]1C[C@@H]2CC[C@]1(C2(C)C)CS(=O)(=O)N(C3CCCCC3)C4CCCCC4
InChI: InChI=1S/C26H41NO4S/c1-4-11-24(28)31-23-18-20-16-17-26(23,25(20,2)3)19-32(29,30)27(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h20-23H,5-10,12-19H2,1-3H3/t20-,23-,26-/m0/s1
SMILES: CCC[C@H]([C@H](CCC)[Se][C@H]1[C@H]2CC[C@@](C1=O)(C2(C)C)C)NC(=S)C3=CC=CC=C3
InChI: InChI=1S/C25H37NOSSe/c1-6-11-19(26-23(28)17-13-9-8-10-14-17)20(12-7-2)29-21-18-15-16-25(5,22(21)27)24(18,3)4/h8-10,13-14,18-21H,6-7,11-12,15-16H2,1-5H3,(H,26,28)/t18-,19-,20+,21+,25+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)[C@@H](C)SC2=NN=C(S2)NC3=CC=CC(=C3)C
InChI: InChI=1S/C20H28N4OS2/c1-12-7-5-9-16(11-12)21-19-23-24-20(27-19)26-15(4)18(25)22-17-10-6-8-13(2)14(17)3/h5,7,9,11,13-15,17H,6,8,10H2,1-4H3,(H,21,23)(H,22,25)/t13-,14-,15+,17-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=CC(=C(C=C2)C)C
InChI: InChI=1S/C19H26N2O4/c1-12-8-9-15(10-14(12)3)18(23)25-11-17(22)21-19(24)20-16-7-5-4-6-13(16)2/h8-10,13,16H,4-7,11H2,1-3H3,(H2,20,21,22,24)/t13-,16-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@@H]4C(=CCN5N4C(=O)N(C5=O)C6=CC=CC=C6)[C@@H]2C7=C(C=CC(=C7)Br)O)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C37H28BrCl2N5O6/c1-51-24-11-7-20(8-12-24)37-27(33(47)44(34(37)48)41-29-13-10-22(39)18-28(29)40)19-30-25(32(37)26-17-21(38)9-14-31(26)46)15-16-42-35(49)43(36(50)45(30)42)23-5-3-2-4-6-23/h2-15,17-18,27,30,32,41,46H,16,19H2,1H3/t27-,30+,32+,37+/m0/s1
SMILES: C1C=C2[C@@H](CC3=C([C@H]2C4=CC=C(C=C4)O)C(=O)C=C(C3=O)Br)[C@@H]5[C@H]1C(=O)N(C5=O)C6=CC(=C(C=C6)C(=O)O)O
InChI: InChI=1S/C29H20BrNO8/c30-20-11-22(34)25-19(26(20)35)10-18-15(23(25)12-1-4-14(32)5-2-12)7-8-17-24(18)28(37)31(27(17)36)13-3-6-16(29(38)39)21(33)9-13/h1-7,9,11,17-18,23-24,32-33H,8,10H2,(H,38,39)/t17-,18+,23-,24-/m0/s1