EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCNC1=NC(=CC=C1)N2CCN(CC2)CC(=O)[C@H]3[C@@H](C[C@@H]4[C@@]3(CC=C5[C@H]4CCC6=CC(=O)C=C[C@@]65C)C)C
InChI: InChI=1S/C33H44N4O2/c1-5-34-29-7-6-8-30(35-29)37-17-15-36(16-18-37)21-28(39)31-22(2)19-27-25-10-9-23-20-24(38)11-13-32(23,3)26(25)12-14-33(27,31)4/h6-8,11-13,20,22,25,27,31H,5,9-10,14-19,21H2,1-4H3,(H,34,35)/t22-,25-,27+,31-,32+,33+/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@@]4([C@H]1CC=C5[C@]2(CC[C@@]6([C@H]5CC(CC6)(C)C)C(=O)O)C)CCC(C3(C)C)(OC4)O
InChI: InChI=1S/C30H46O4/c1-24(2)11-13-28(23(31)32)14-12-26(5)19(20(28)17-24)7-8-22-27(26,6)10-9-21-25(3,4)30(33)16-15-29(21,22)18-34-30/h7,20-22,33H,8-18H2,1-6H3,(H,31,32)/t20-,21-,22-,26+,27+,28-,29+,30?/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)CCCC(=O)O)CSC5=CC=CC=C5
InChI: InChI=1S/C37H39NO6S/c1-25-33(24-45-32-12-3-2-4-13-32)43-37(44-36(25)28-18-16-26(23-39)17-19-28)31-11-6-10-30(21-31)29-9-5-8-27(20-29)22-38-34(40)14-7-15-35(41)42/h2-6,8-13,16-21,25,33,36-37,39H,7,14-15,22-24H2,1H3,(H,38,40)(H,41,42)/t25-,33+,36+,37+/m1/s1
SMILES: CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)N[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)[N+](=O)[O-]
InChI: InChI=1S/C33H30N4O10/c1-36-13-19(37(41)42)10-23(36)32(39)35-18-6-4-17(5-7-18)34-30-21-12-25-24(46-15-47-25)11-20(21)28(29-22(30)14-45-33(29)40)16-8-26(43-2)31(38)27(9-16)44-3/h4-13,22,28-30,34,38H,14-15H2,1-3H3,(H,35,39)/t22-,28+,29-,30+/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)SCC
InChI: InChI=1S/C39H53NO6S/c1-6-21-43-39-36(47-8-3)25-34(40-44-7-2)32-23-28(13-9-11-19-41)31(14-10-12-20-42)37(38(32)39)33-24-30(17-18-35(33)46-39)45-29-16-15-26(4)27(5)22-29/h6,15-18,22-24,28,31,36-38,41-42H,1,7-14,19-21,25H2,2-5H3/t28-,31+,36-,37+,38+,39+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2
InChI: InChI=1S/C16H24N2O5S2/c1-12-5-2-3-6-13(12)18-14(19)11-23-15(20)8-9-17-25(21,22)16-7-4-10-24-16/h4,7,10,12-13,17H,2-3,5-6,8-9,11H2,1H3,(H,18,19)/t12-,13-/m1/s1
SMILES: CCC[C@@H]1[C@@H]2C[C@@H]([C@@H]([C@H]2C3=C(C=CC(=C3N1)C(=O)[O-])[N+](=O)[O-])Cl)SC4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C22H22ClN3O6S/c1-2-5-13-12-10-17(33-16-7-4-3-6-14(16)25(29)30)20(23)18(12)19-15(26(31)32)9-8-11(22(27)28)21(19)24-13/h3-4,6-9,12-13,17-18,20,24H,2,5,10H2,1H3,(H,27,28)/p-1/t12-,13+,17-,18+,20-/m0/s1
SMILES: C[N+]1=C(SC=C1)[C@]2([C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)N=[N+]=[N-]
InChI: InChI=1S/C38H39N4O5S/c1-42-22-23-48-37(42)38(40-41-39)36(46-27-32-20-12-5-13-21-32)35(45-26-31-18-10-4-11-19-31)34(44-25-30-16-8-3-9-17-30)33(47-38)28-43-24-29-14-6-2-7-15-29/h2-23,33-36H,24-28H2,1H3/q+1/t33-,34+,35+,36-,38-/m1/s1
SMILES: C/C=C\1/CN2[C@H]3C[C@@H]1[C@]4([C@@H]2[C@@H](C5=C3N(C6=C5C=CC=C6OC)C)OC4)C(=O)OC
InChI: InChI=1S/C23H26N2O4/c1-5-12-10-25-15-9-14(12)23(22(26)28-4)11-29-20(21(23)25)17-13-7-6-8-16(27-3)18(13)24(2)19(15)17/h5-8,14-15,20-21H,9-11H2,1-4H3/b12-5-/t14-,15-,20+,21-,23+/m0/s1
SMILES: CC1=C([C@H]2[C@@H]3[C@H]([C@@H]1P2C4=CC=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5)C
InChI: InChI=1S/C22H20NO2P/c1-13-14(2)20-18-17(19(13)26(20)16-11-7-4-8-12-16)21(24)23(22(18)25)15-9-5-3-6-10-15/h3-12,17-20H,1-2H3/t17-,18+,19-,20+,26?
SMILES: CCCNC(=O)CNC(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C18H25N3O6/c1-2-8-19-14(22)10-20-15(23)11-27-16(24)7-9-21-17(25)12-5-3-4-6-13(12)18(21)26/h3-4,12-13H,2,5-11H2,1H3,(H,19,22)(H,20,23)/t12-,13-/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C7=COC8=C(C7)C=C(C=C8)O)C9=CC=CC=C9)C1=CC(=CC=C1)Cl
InChI: InChI=1S/C51H41ClN2O8/c1-60-38-18-22-43(61-2)30(25-38)14-11-29-12-15-35(16-13-29)53-47(56)40-20-19-39-41(45(40)49(53)58)27-42-48(57)54(36-10-6-9-34(52)26-36)50(59)51(42,33-7-4-3-5-8-33)46(39)32-23-31-24-37(55)17-21-44(31)62-28-32/h3-19,21-22,24-26,28,40-42,45-46,55H,20,23,27H2,1-2H3/t40-,41+,42-,45-,46-,51+/m0/s1
SMILES: CCC1=C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=C(N3)C=C(C=C4)Br)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC
InChI: InChI=1S/C46H55BrN4O8/c1-8-27-19-28-23-45(41(53)57-6,37-31(13-17-50(24-27)25-28)30-12-11-29(47)20-34(30)48-37)33-21-32-35(22-36(33)56-5)49(4)39-44(32)15-18-51-16-10-14-43(9-2,38(44)51)40(59-26(3)52)46(39,55)42(54)58-7/h10-12,14,19-22,28,38-40,48,55H,8-9,13,15-18,23-25H2,1-7H3/t28-,38+,39-,40-,43-,44-,45+,46+/m1/s1
SMILES: CC(C)NC(=O)C[C@@H]1C2=C(C[C@H]3[C@]1(CC[C@H]([C@@]3(C)CO)O)C)SC(=N2)NC(=O)C
InChI: InChI=1S/C21H33N3O4S/c1-11(2)22-17(28)8-13-18-14(29-19(24-18)23-12(3)26)9-15-20(13,4)7-6-16(27)21(15,5)10-25/h11,13,15-16,25,27H,6-10H2,1-5H3,(H,22,28)(H,23,24,26)/t13-,15+,16-,20+,21+/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@H]([C@@H](C(=[13CH2])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)OCC6=CC=CC=C6)O)OCC7=CC=CC=C7)C
InChI: InChI=1S/C51H58O9/c1-37(46(52)47(45-36-58-51(2,3)60-45)54-31-39-21-11-5-12-22-39)29-43-48(55-32-40-23-13-6-14-24-40)50(57-34-42-27-17-8-18-28-42)49(56-33-41-25-15-7-16-26-41)44(59-43)35-53-30-38-19-9-4-10-20-38/h4-28,43-50,52H,1,29-36H2,2-3H3/t43-,44-,45-,46-,47-,48+,49-,50-/m1/s1/i1+1
SMILES: C[C@H]1C[C@H]1C(=O)OCC(=O)N[C@@H](C)C2=C(C=C(C=C2)Cl)Cl
InChI: InChI=1S/C15H17Cl2NO3/c1-8-5-12(8)15(20)21-7-14(19)18-9(2)11-4-3-10(16)6-13(11)17/h3-4,6,8-9,12H,5,7H2,1-2H3,(H,18,19)/t8-,9-,12+/m0/s1
SMILES: C[C@]12C[C@]1(C(=C3CC(C[C@H]3[C@@H]2O)(C)C)C=O)C=O
InChI: InChI=1S/C15H20O3/c1-13(2)4-9-10(5-13)12(18)14(3)7-15(14,8-17)11(9)6-16/h6,8,10,12,18H,4-5,7H2,1-3H3/t10-,12+,14-,15-/m1/s1
SMILES: CC(=O)O[C@H]1C[C@@H]2CCC3C([C@]2(CC1[N+]4(CCOCC4)C)C)CC[C@]5(C3CC([C@@H]5OC(=O)C)[N+]6(CCOCC6)C)C
InChI: InChI=1S/C33H56N2O6/c1-22(36)40-30-19-24-7-8-25-26(33(24,4)21-29(30)35(6)13-17-39-18-14-35)9-10-32(3)27(25)20-28(31(32)41-23(2)37)34(5)11-15-38-16-12-34/h24-31H,7-21H2,1-6H3/q+2/t24-,25?,26?,27?,28?,29?,30-,31-,32-,33-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CCCC[C@H]2[Si](C)(C)C3=CC=CC=C3
InChI: InChI=1S/C21H29NO2SSi/c1-17-13-15-18(16-14-17)25(23,24)22-20-11-7-8-12-21(20)26(2,3)19-9-5-4-6-10-19/h4-6,9-10,13-16,20-22H,7-8,11-12H2,1-3H3/t20-,21-/m1/s1
SMILES: C[C@]12CCCC([C@@H]1CCC3=CC(=C(C=C23)O)CO)(C)C(=O)O
InChI: InChI=1S/C18H24O4/c1-17-6-3-7-18(2,16(21)22)15(17)5-4-11-8-12(10-19)14(20)9-13(11)17/h8-9,15,19-20H,3-7,10H2,1-2H3,(H,21,22)/t15-,17-,18?/m1/s1
SMILES: CC1(CC[C@@H]([C@@]2(CC[C@@H](C2(C)C)[C@H]([C@H]1OCOCC3=CC=CC=C3)OCOC)O)O)C
InChI: InChI=1S/C25H40O6/c1-23(2)13-12-20(26)25(27)14-11-19(24(25,3)4)21(30-16-28-5)22(23)31-17-29-15-18-9-7-6-8-10-18/h6-10,19-22,26-27H,11-17H2,1-5H3/t19-,20+,21-,22-,25-/m1/s1
SMILES: CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+]2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C18H29N3O2/c1-18(2,3)15-10-17(23-20-15)19-16(22)12-21-9-8-13-6-4-5-7-14(13)11-21/h10,13-14H,4-9,11-12H2,1-3H3,(H,19,22)/p+1/t13-,14+/m0/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5O)C
InChI: InChI=1S/C25H22N2O4/c1-15-12-13-19(16(2)14-15)26-24(29)21-22(18-10-6-7-11-20(18)28)27(31-23(21)25(26)30)17-8-4-3-5-9-17/h3-14,21-23,28H,1-2H3/t21-,22-,23+/m1/s1
SMILES: CCOC(=O)C1=CC=CC=C1N2C(=O)[C@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)C)C
InChI: InChI=1S/C29H25NO4/c1-4-34-27(33)17-11-5-10-16-22(17)30-25(31)23-24(26(30)32)29(3)20-14-8-6-12-18(20)28(23,2)19-13-7-9-15-21(19)29/h5-16,23-24H,4H2,1-3H3/t23-,24+,28?,29?
SMILES: C[C@]12CC[C@@H](CC1=CC[C@H]3[C@@H]2CC[C@]4([C@H]3CC5=C4OC(=O)C([C@H]5C6=CC=CC=C6)(C)C)C)O
InChI: InChI=1S/C30H38O3/c1-28(2)25(18-8-6-5-7-9-18)22-17-24-21-11-10-19-16-20(31)12-14-29(19,3)23(21)13-15-30(24,4)26(22)33-27(28)32/h5-10,20-21,23-25,31H,11-17H2,1-4H3/t20-,21-,23-,24-,25-,29-,30-/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)NN=C3C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C20H17N3O4/c1-12-7-9-14(10-8-12)23-18(24)15-16(19(23)25)21-22-17(15)20(26)27-11-13-5-3-2-4-6-13/h2-10,15-16,21H,11H2,1H3/t15-,16-/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@H]3CC=C[C@@H]3C4=C(N2)C(=CC(=C4)Cl)Cl)[N+](=O)[O-]
InChI: InChI=1S/C19H16Cl2N2O3/c1-26-17-6-5-10(7-16(17)23(24)25)18-13-4-2-3-12(13)14-8-11(20)9-15(21)19(14)22-18/h2-3,5-9,12-13,18,22H,4H2,1H3/t12-,13-,18+/m0/s1
SMILES: C[C@@H]1C[C@H]1C(=O)OCC(=O)N(C)CC(=O)NC2=C(C=C(C=C2)Br)C
InChI: InChI=1S/C17H21BrN2O4/c1-10-7-13(10)17(23)24-9-16(22)20(3)8-15(21)19-14-5-4-12(18)6-11(14)2/h4-6,10,13H,7-9H2,1-3H3,(H,19,21)/t10-,13-/m1/s1
SMILES: COC([C@@H]1C[C@H]2[C@@]3(CCN2CC4=CC=CC=C4)C5=CC=CC=C5NC3=C1C(=O)OC)OC
InChI: InChI=1S/C26H30N2O4/c1-30-24(29)22-18(25(31-2)32-3)15-21-26(19-11-7-8-12-20(19)27-23(22)26)13-14-28(21)16-17-9-5-4-6-10-17/h4-12,18,21,25,27H,13-16H2,1-3H3/t18-,21+,26-/m1/s1
SMILES: CCCCCCC/C=C/[C@@H]1C(=C[C@@H]2[C@H]3CCC[C@@H]3OC([C@@H]2O1)(CP(=O)(OC)OC)O)C
InChI: InChI=1S/C24H41O6P/c1-5-6-7-8-9-10-11-14-21-18(2)16-20-19-13-12-15-22(19)30-24(25,23(20)29-21)17-31(26,27-3)28-4/h11,14,16,19-23,25H,5-10,12-13,15,17H2,1-4H3/b14-11+/t19-,20-,21-,22+,23-,24?/m1/s1
SMILES: CC(=NOC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)C
InChI: InChI=1S/C10H17NO8/c1-4(2)11-19-10(16)17-3-5-6(12)7(13)8(14)9(15)18-5/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9?/m1/s1
SMILES: COC1=C(C=C2C(=C1)CCN3[C@@]24CC(=O)O[C@@H]4CC3=O)OC
InChI: InChI=1S/C16H17NO5/c1-20-11-5-9-3-4-17-14(18)7-13-16(17,8-15(19)22-13)10(9)6-12(11)21-2/h5-6,13H,3-4,7-8H2,1-2H3/t13-,16+/m1/s1
SMILES: CC[C@@H](C(=O)N)NC(=O)C1=C[C@H]([C@@H]([C@@H](C1)O)O)N(C(=O)OC(C)C)NC(=O)OC(C)C
InChI: InChI=1S/C19H32N4O8/c1-6-12(16(20)26)21-17(27)11-7-13(15(25)14(24)8-11)23(19(29)31-10(4)5)22-18(28)30-9(2)3/h7,9-10,12-15,24-25H,6,8H2,1-5H3,(H2,20,26)(H,21,27)(H,22,28)/t12-,13+,14+,15-/m0/s1
SMILES: CCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C29H28O8S/c1-2-38-29-25(37-28(33)21-16-10-5-11-17-21)24(36-27(32)20-14-8-4-9-15-20)23(22(18-30)34-29)35-26(31)19-12-6-3-7-13-19/h3-17,22-25,29-30H,2,18H2,1H3/t22-,23+,24+,25-,29+/m1/s1
SMILES: CC(C)(C)C(=O)OCC[C@@H]1C(=O)[C@H](CS1)C[C@@H]2[C@@H](C[C@H](O2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C39H60O6SSi2/c1-37(2,3)36(41)42-23-22-34-35(40)28(27-46-34)24-32-33(45-47(10,11)38(4,5)6)25-29(44-32)26-43-48(39(7,8)9,30-18-14-12-15-19-30)31-20-16-13-17-21-31/h12-21,28-29,32-34H,22-27H2,1-11H3/t28-,29-,32+,33+,34+/m0/s1
SMILES: C/C(=N/OC(=O)C)/[C@@]12CC1CC3[C@@]2(CCC4C3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C
InChI: InChI=1S/C26H37NO4/c1-15(27-31-17(3)29)26-14-19(26)13-23-21-7-6-18-12-20(30-16(2)28)8-10-24(18,4)22(21)9-11-25(23,26)5/h6,19-23H,7-14H2,1-5H3/b27-15-/t19?,20-,21?,22?,23?,24-,25-,26-/m0/s1
SMILES: C[C@]12CC[C@H]([C@@H]([C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O)O
InChI: InChI=1S/C19H30O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-15,17,20,22H,3-10H2,1-2H3/t11-,12-,13-,14-,15+,17+,18+,19-/m0/s1
SMILES: C1=CC(=CC=C1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CCl)Cl)O)O)Cl
InChI: InChI=1S/C12H13Cl3O4/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-12,16-17H,5H2/t8-,9+,10+,11-,12-/m1/s1
SMILES: C1CN(CCN1C2=CC=C(C=C2)F)C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]3C(=O)O)C=C4
InChI: InChI=1S/C19H21FN2O3/c20-14-3-5-15(6-4-14)21-7-9-22(10-8-21)18(23)16-12-1-2-13(11-12)17(16)19(24)25/h1-6,12-13,16-17H,7-11H2,(H,24,25)/t12-,13+,16+,17+/m1/s1
SMILES: COCC1=CN(N=N1)C[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C(=O)NC4=CC=CC=C4
InChI: InChI=1S/C19H25N5O2/c1-26-13-16-10-24(22-21-16)11-17-9-14-7-8-23(17)12-18(14)19(25)20-15-5-3-2-4-6-15/h2-6,10,14,17-18H,7-9,11-13H2,1H3,(H,20,25)/p+1/t14-,17+,18-/m0/s1
SMILES: CC1([C@@H]2CC[C@]13C[S+]4(=O)N[C@]35[C@]2(C(=C(C5=C(O4)C6=CC=CC=C6)C7=CC=CC=C7)I)O)C.[Cl-]
InChI: InChI=1S/C26H25INO3S.ClH/c1-23(2)18-13-14-24(23)15-32(30)28-26(24)20(21(31-32)17-11-7-4-8-12-17)19(22(27)25(18,26)29)16-9-5-3-6-10-16;/h3-12,18,29H,13-15H2,1-2H3,(H,28,30);1H/q+1;/p-1/t18-,24-,25-,26-,32?;/m0./s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOCC)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]2(OC5=C4C=C(C=C5)OC6=CC(=C(C=C6)OC)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C57H77FN2O10/c1-5-8-9-10-11-12-13-14-15-20-34-66-56(64)60(39-41-23-25-44(58)26-24-41)53-38-50(59-68-7-3)48-36-42(21-16-18-31-61)47(22-17-19-32-62)54-49-37-46(69-45-27-29-51(65-4)43(35-45)40-63)28-30-52(49)70-57(53,55(48)54)67-33-6-2/h6,23-30,35-37,40,42,47,53-55,61-62H,2,5,7-22,31-34,38-39H2,1,3-4H3/t42-,47+,53-,54+,55+,57+/m0/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@H](C2=O)OC)S(=O)(=O)C1)COC(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H19NO8S/c1-11(20)26-8-13-10-28(23,24)17-15(25-2)16(21)19(17)14(13)9-27-18(22)12-6-4-3-5-7-12/h3-7,15,17H,8-10H2,1-2H3/t15-,17+/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)NC(=O)OC(C)(C)C
InChI: InChI=1S/C44H54N2O8/c1-43(2,3)53-41(47)45-35-36(46-42(48)54-44(4,5)6)38(50-28-32-21-13-8-14-22-32)40(52-30-34-25-17-10-18-26-34)39(51-29-33-23-15-9-16-24-33)37(35)49-27-31-19-11-7-12-20-31/h7-26,35-40H,27-30H2,1-6H3,(H,45,47)(H,46,48)/t35-,36+,37-,38-,39+,40+/m0/s1
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)C
InChI: InChI=1S/C21H31N3O4S/c1-15-7-8-19(11-16(15)2)29(27,28)23-12-20(25)22-13-21(26)24-10-9-17-5-3-4-6-18(17)14-24/h7-8,11,17-18,23H,3-6,9-10,12-14H2,1-2H3,(H,22,25)/t17-,18+/m0/s1
SMILES: CCCCN1[C@H]([C@H](CCC1=O)C(=O)NC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)OC
InChI: InChI=1S/C24H27N3O3/c1-3-4-15-27-22(28)14-13-21(23(27)18-7-11-20(30-2)12-8-18)24(29)26-19-9-5-17(16-25)6-10-19/h5-12,21,23H,3-4,13-15H2,1-2H3,(H,26,29)/t21-,23-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2OC4=C(O3)C(=C(C(=C4Cl)Cl)Cl)Cl
InChI: InChI=1S/C13H8Cl4O2/c14-6-7(15)9(17)13-12(8(6)16)18-10-4-1-2-5(3-4)11(10)19-13/h1-2,4-5,10-11H,3H2/t4-,5+,10+,11-
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)CO)O)O
InChI: InChI=1S/C18H24N5O13P/c19-9-1-3-22(17(29)20-9)15-12(27)11(26)8(35-15)6-33-37(31,32)36-14-7(5-24)34-16(13(14)28)23-4-2-10(25)21-18(23)30/h1-4,7-8,11-16,24,26-28H,5-6H2,(H,31,32)(H2,19,20,29)(H,21,25,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
SMILES: C1C[C@H]2[C@H](C[C@@](O2)(CN3C=NC4=CC=CC=C4C3=O)O)NC1
InChI: InChI=1S/C16H19N3O3/c20-15-11-4-1-2-5-12(11)18-10-19(15)9-16(21)8-13-14(22-16)6-3-7-17-13/h1-2,4-5,10,13-14,17,21H,3,6-9H2/t13-,14-,16+/m0/s1
SMILES: COC1=CC(=C(C=C1)NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4C3)OC
InChI: InChI=1S/C19H21NO7/c1-24-10-3-4-12(14(7-10)25-2)20-15(21)8-26-18(22)16-9-5-11-13(6-9)27-19(23)17(11)16/h3-4,7,9,11,13,16-17H,5-6,8H2,1-2H3,(H,20,21)/t9-,11+,13-,16-,17+/m1/s1
SMILES: CC1=CC[C@@H](OC1=O)[C@@H](C)[C@H]2CC[C@@]3([C@@]2(CC[C@]45[C@H]3CC[C@H]([C@]4(C5)CCC(=O)O)C(=C)C)C)C
InChI: InChI=1S/C30H44O4/c1-18(2)21-8-10-24-28(6)13-11-22(20(4)23-9-7-19(3)26(33)34-23)27(28,5)15-16-30(24)17-29(21,30)14-12-25(31)32/h7,20-24H,1,8-17H2,2-6H3,(H,31,32)/t20-,21-,22+,23+,24-,27+,28-,29+,30-/m0/s1
SMILES: CCC#CCC(C)[C@@H](C#C[C@H]1[C@@H](CC(=C)[C@@H]1CCCCCCC(=O)O)O)O
InChI: InChI=1S/C23H34O4/c1-4-5-8-11-17(2)21(24)15-14-20-19(18(3)16-22(20)25)12-9-6-7-10-13-23(26)27/h17,19-22,24-25H,3-4,6-7,9-13,16H2,1-2H3,(H,26,27)/t17?,19-,20+,21+,22+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C16H21N3O5/c1-11-4-2-3-5-14(11)17-16(21)18-15(20)10-24-13-8-6-12(7-9-13)19(22)23/h6-9,11,14H,2-5,10H2,1H3,(H2,17,18,20,21)/t11-,14-/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8CCCCC8
InChI: InChI=1S/C42H39Cl2F3N4O7/c1-57-32-16-21(17-33(58-2)35(32)52)8-15-29-26-13-14-27-34(39(55)50(37(27)53)25-6-4-3-5-7-25)28(26)19-30-38(54)51(40(56)41(29,30)22-9-11-24(43)12-10-22)49-36-31(44)18-23(20-48-36)42(45,46)47/h8-13,15-18,20,25,27-30,34,52H,3-7,14,19H2,1-2H3,(H,48,49)/t27-,28+,29-,30-,34-,41-/m0/s1
SMILES: CCC1=CN(N=C1)[C@H]2C[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C(N=C(N=C43)NCCC5=CN(C=N5)CC)NCCC6=CC=CC=C6
InChI: InChI=1S/C30H38N10O2/c1-3-20-15-35-40(16-20)24-14-23(26(41)27(24)42)39-19-34-25-28(31-12-10-21-8-6-5-7-9-21)36-30(37-29(25)39)32-13-11-22-17-38(4-2)18-33-22/h5-9,15-19,23-24,26-27,41-42H,3-4,10-14H2,1-2H3,(H2,31,32,36,37)/t23-,24+,26+,27-/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2C=C[C@@H]([C@H]3[C@@H]2C(=O)N(C3=O)C4=CC5=C(C=C4)C6=CC=CC=C6O5)C7=CC=CC=C7
InChI: InChI=1S/C32H23NO3/c34-31-29-23(20-9-3-1-4-10-20)17-18-24(21-11-5-2-6-12-21)30(29)32(35)33(31)22-15-16-26-25-13-7-8-14-27(25)36-28(26)19-22/h1-19,23-24,29-30H/t23-,24+,29+,30-
SMILES: CC(C)C(C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H]2[C@@H](O2)CNC(=O)OC(C)(C)C)NC(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C29H39N3O6/c1-19(2)24(32-28(35)36-18-21-14-10-7-11-15-21)26(33)31-22(16-20-12-8-6-9-13-20)25-23(37-25)17-30-27(34)38-29(3,4)5/h6-15,19,22-25H,16-18H2,1-5H3,(H,30,34)(H,31,33)(H,32,35)/t22-,23-,24?,25+/m0/s1
SMILES: CC1(O[C@@H]2[C@@H]3[C@@H]([C@@H](CC4=CN=NN34)OCC5=CC=CC=C5)O[C@@H]2O1)C
InChI: InChI=1S/C18H21N3O4/c1-18(2)24-16-14-15(23-17(16)25-18)13(8-12-9-19-20-21(12)14)22-10-11-6-4-3-5-7-11/h3-7,9,13-17H,8,10H2,1-2H3/t13-,14+,15-,16-,17-/m1/s1
SMILES: CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H22F3N3O3/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/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,23,26)/t12-,13-/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)C2=CC(=CC(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CO)C
InChI: InChI=1S/C26H28O5/c1-26(2)30-24(16-27)25(31-26)21-13-22(28-17-19-9-5-3-6-10-19)15-23(14-21)29-18-20-11-7-4-8-12-20/h3-15,24-25,27H,16-18H2,1-2H3/t24-,25-/m1/s1
SMILES: CCOCCCN([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)CO)C(=O)NCCO)C(=O)COC
InChI: InChI=1S/C25H36N2O9/c1-4-35-9-5-7-27(20(30)14-33-2)18-12-17(25(32)26-6-8-28)21-16-10-15(13-29)11-19(34-3)23(16)36-24(21)22(18)31/h10-12,18,21-22,24,28-29,31H,4-9,13-14H2,1-3H3,(H,26,32)/t18-,21+,22+,24+/m1/s1
SMILES: C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C
InChI: InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/p-1/t16-,17-,18+,19+,20+,21+,22+,23-,25+,26-/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)COC(=O)COC2=CC=CC=C2C#N)C(C)C
InChI: InChI=1S/C21H27NO5/c1-14(2)17-9-8-15(3)10-19(17)27-21(24)13-26-20(23)12-25-18-7-5-4-6-16(18)11-22/h4-7,14-15,17,19H,8-10,12-13H2,1-3H3/t15-,17+,19+/m0/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)C(=O)N(C2=O)CN3CCC[C@H]4[C@@H]3CCCC4
InChI: InChI=1S/C20H25N3O4/c1-27-16-10-8-15(9-11-16)23-19(25)18(24)22(20(23)26)13-21-12-4-6-14-5-2-3-7-17(14)21/h8-11,14,17H,2-7,12-13H2,1H3/t14-,17-/m0/s1
SMILES: C1=C(C(=O)NC(=O)N1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)I
InChI: InChI=1S/C9H11IN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5+,6-,8-/m0/s1
SMILES: C[C@@]12C3=CC=C4[C@]1(C(=CC(=C4)Cl)C5=C(C2=CC=C3)C6=CC=CC7=C6C5=CC=C7)C
InChI: InChI=1S/C28H19Cl/c1-27-17-8-5-11-22(27)25-20-9-3-6-16-7-4-10-21(24(16)20)26(25)23-15-19(29)14-18(13-12-17)28(23,27)2/h3-15H,1-2H3/t27-,28-/m0/s1
SMILES: COCCOC(=O)[C@H]1[C@H](N2C(=NC(=N2)C3=CC=C(C=C3)F)NC1=C)C4=CC=CC=C4
InChI: InChI=1S/C22H21FN4O3/c1-14-18(21(28)30-13-12-29-2)19(15-6-4-3-5-7-15)27-22(24-14)25-20(26-27)16-8-10-17(23)11-9-16/h3-11,18-19H,1,12-13H2,2H3,(H,24,25,26)/t18-,19-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl
InChI: InChI=1S/C20H22ClNO5/c1-11-4-3-5-15(12(11)2)22-19(24)10-26-20(25)18-9-16(23)14-8-13(21)6-7-17(14)27-18/h6-9,11-12,15H,3-5,10H2,1-2H3,(H,22,24)/t11-,12-,15+/m1/s1
SMILES: C1CCC(=CC1)CCNC(=O)C2=CC=C(C=C2)NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3
InChI: InChI=1S/C20H25N3O3S2/c24-19(21-11-10-14-4-2-1-3-5-14)15-6-8-16(9-7-15)22-20-23-17-12-28(25,26)13-18(17)27-20/h4,6-9,17-18H,1-3,5,10-13H2,(H,21,24)(H,22,23)/t17-,18+/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2[C@@H](O[C@H](C[C@@]2(C)[N+](=O)[O-])OC)C)O)O
InChI: InChI=1S/C14H25NO8/c1-7-12(17)9(16)5-10(21-7)23-13-8(2)22-11(20-4)6-14(13,3)15(18)19/h7-13,16-17H,5-6H2,1-4H3/t7-,8-,9-,10-,11+,12+,13-,14+/m0/s1
SMILES: C[C@@H]1[C@@H]2CC3=C([C@@]1(CCN2CCNCC4=CC=CC=C4)C)C=C(C=C3)O
InChI: InChI=1S/C23H30N2O/c1-17-22-14-19-8-9-20(26)15-21(19)23(17,2)10-12-25(22)13-11-24-16-18-6-4-3-5-7-18/h3-9,15,17,22,24,26H,10-14,16H2,1-2H3/t17-,22+,23-/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=NC=CS4
InChI: InChI=1S/C18H17N3O3S/c22-15(20-18-19-9-10-25-18)11-5-7-12(8-6-11)21-16(23)13-3-1-2-4-14(13)17(21)24/h5-10,13-14H,1-4H2,(H,19,20,22)/t13-,14-/m1/s1
SMILES: CCOC(=O)[C@]12CC[C@@H]([C@@H]3[C@H]1N(CC2)C(=O)C4=CC(=C(C=C34)OC)OC)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C27H29NO7/c1-4-34-26(31)27-11-10-19(35-25(30)16-8-6-5-7-9-16)22-17-14-20(32-2)21(33-3)15-18(17)24(29)28(13-12-27)23(22)27/h5-9,14-15,19,22-23H,4,10-13H2,1-3H3/t19-,22+,23+,27-/m0/s1
SMILES: CC1=CC=C(C=C1)CNC(=O)[C@@H](C)OC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C22H26N2O5/c1-13-8-10-16(11-9-13)12-23-19(25)15(3)29-22(28)14(2)24-20(26)17-6-4-5-7-18(17)21(24)27/h4-5,8-11,14-15,17-18H,6-7,12H2,1-3H3,(H,23,25)/t14-,15+,17-,18-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2=C3CC[C@@H]4[C@@]([C@H]3CC[C@]12C)(CC[C@@H](C4(C)C)OC(=O)C5=CC=CC=C5)C
InChI: InChI=1S/C36H54O2/c1-24(2)12-11-13-25(3)28-17-18-29-27-16-19-31-34(4,5)32(38-33(37)26-14-9-8-10-15-26)21-23-36(31,7)30(27)20-22-35(28,29)6/h8-10,14-15,24-25,28,30-32H,11-13,16-23H2,1-7H3/t25-,28-,30+,31+,32+,35-,36-/m1/s1
SMILES: CC(=O)C1=C(C[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C)C5=CC=CC=C5
InChI: InChI=1S/C29H36O3/c1-18(30)27-24(20-8-6-5-7-9-20)17-26-23-11-10-21-16-22(32-19(2)31)12-14-28(21,3)25(23)13-15-29(26,27)4/h5-10,22-23,25-26H,11-17H2,1-4H3/t22-,23+,25-,26-,28+,29+/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)CC/C=C/C6=CC=C(C=C6)C(=O)C7=CC=CC=C7)C)OC(=O)C
InChI: InChI=1S/C51H54O14/c1-29-37(61-30(2)52)27-51(59)46(64-47(58)36-19-12-9-13-20-36)44-49(7,45(57)43(62-31(3)53)41(29)48(51,5)6)38(26-39-50(44,28-60-39)65-32(4)54)63-40(55)21-15-14-16-33-22-24-35(25-23-33)42(56)34-17-10-8-11-18-34/h8-14,16-20,22-25,37-39,43-44,46,59H,15,21,26-28H2,1-7H3/b16-14+/t37-,38-,39+,43+,44-,46-,49+,50-,51+/m0/s1
SMILES: C[C@H]1[C@H](C(=O)N(CN1C(=O)OCC2=CC=CC=C2)[C@@H](C)C3=CC=CC=C3)Br
InChI: InChI=1S/C21H23BrN2O3/c1-15(18-11-7-4-8-12-18)23-14-24(16(2)19(22)20(23)25)21(26)27-13-17-9-5-3-6-10-17/h3-12,15-16,19H,13-14H2,1-2H3/t15-,16-,19+/m0/s1
SMILES: C[C@@]12[C@H](C[C@@H]([C@@]3(CC[C@@H](C3(C)C)[C@H](C1=O)OCOC)O)O[Si](C)(C)C(C)(C)C)[C@@]([C@@H](C[C@@H]2O)OCC4=CC=C(C=C4)OC)(COCC5=CC=C(C=C5)OC)OCC6=CC=CC=C6
InChI: InChI=1S/C50H72O11Si/c1-46(2,3)62(10,11)61-43-27-40-48(6,45(52)44(59-33-54-7)39-25-26-50(43,53)47(39,4)5)41(51)28-42(58-30-36-19-23-38(56-9)24-20-36)49(40,60-31-34-15-13-12-14-16-34)32-57-29-35-17-21-37(55-8)22-18-35/h12-24,39-44,51,53H,25-33H2,1-11H3/t39-,40+,41+,42-,43+,44-,48+,49-,50-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)C/C(=N\N=C\5/N(C(=O)CS5)C6=CC=CC=C6)/C7=CC=C(C=C7)Cl)O
InChI: InChI=1S/C35H36ClN3O3S/c1-35-16-15-26-27(29(35)13-14-32(35)41)12-9-22-19-31(40)23(17-28(22)26)18-30(21-7-10-24(36)11-8-21)37-38-34-39(33(42)20-43-34)25-5-3-2-4-6-25/h2-8,10-11,17,19,26-27,29,32,40-41H,9,12-16,18,20H2,1H3/b37-30+,38-34+/t26-,27+,29-,32-,35-/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)CCC(=O)O)CN5CCN(CC5)C6=NC=CC=N6
InChI: InChI=1S/C38H43N5O6/c1-26-33(24-42-17-19-43(20-18-42)38-39-15-4-16-40-38)48-37(49-36(26)29-11-9-27(25-44)10-12-29)32-8-3-7-31(22-32)30-6-2-5-28(21-30)23-41-34(45)13-14-35(46)47/h2-12,15-16,21-22,26,33,36-37,44H,13-14,17-20,23-25H2,1H3,(H,41,45)(H,46,47)/t26-,33+,36+,37+/m1/s1
SMILES: CCC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)SCC(=O)N[C@@H]4CCCC[C@H]4C)C
InChI: InChI=1S/C21H27N5OS/c1-4-14-9-10-17-15(11-14)19-20(26(17)3)23-21(25-24-19)28-12-18(27)22-16-8-6-5-7-13(16)2/h9-11,13,16H,4-8,12H2,1-3H3,(H,22,27)/t13-,16-/m1/s1
SMILES: C1[C@@H]2[C@@H](C3=CC=CC=C31)C4=C(C=CC(=C4)C(=O)O)N[C@H]2C5=CC(=CC=C5)Cl
InChI: InChI=1S/C23H18ClNO2/c24-16-6-3-5-14(10-16)22-19-11-13-4-1-2-7-17(13)21(19)18-12-15(23(26)27)8-9-20(18)25-22/h1-10,12,19,21-22,25H,11H2,(H,26,27)/t19-,21+,22+/m1/s1
SMILES: C/C=C\1/CN2CCC34[C@@]2([C@@H](C[C@H]1C3C(=O)OC)O)NC5=CC=CC=C45
InChI: InChI=1S/C20H24N2O3/c1-3-12-11-22-9-8-19-14-6-4-5-7-15(14)21-20(19,22)16(23)10-13(12)17(19)18(24)25-2/h3-7,13,16-17,21,23H,8-11H2,1-2H3/b12-3-/t13-,16-,17?,19?,20+/m1/s1