EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1[C@@H]2[C@@H]([C@@H]2NC(=O)NC3=NC=C(C=C3)OC4=CC=C(C=C4)NS(=O)O)C5=C(C=CC(=C5O1)F)F
InChI: InChI=1S/C22H18F2N4O5S/c23-15-6-7-16(24)21-19(15)18-14(10-32-21)20(18)27-22(29)26-17-8-5-13(9-25-17)33-12-3-1-11(2-4-12)28-34(30)31/h1-9,14,18,20,28H,10H2,(H,30,31)(H2,25,26,27,29)/t14-,18-,20-/m1/s1
SMILES: COC1=CC=C(C=C1)CO[C@H]2[C@H]([C@H]([C@@H]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCOCC5=CC=CC=C5)O)OCOCC6=CC=CC=C6
InChI: InChI=1S/C44H48O9/c1-46-38-24-22-37(23-25-38)30-50-43-41(53-32-48-27-34-16-8-3-9-17-34)39(45)40(52-31-47-26-33-14-6-2-7-15-33)42(49-28-35-18-10-4-11-19-35)44(43)51-29-36-20-12-5-13-21-36/h2-25,39-45H,26-32H2,1H3/t39-,40-,41-,42+,43-,44-/m0/s1
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(C(=O)CO2)O)C3=CC=C(C=C3)F
InChI: InChI=1S/C20H16F7NO4/c1-10(12-6-13(19(22,23)24)8-14(7-12)20(25,26)27)32-18-17(28(30)16(29)9-31-18)11-2-4-15(21)5-3-11/h2-8,10,17-18,30H,9H2,1H3/t10-,17+,18-/m1/s1
SMILES: CC1=CC[C@@H]2[C@@H](CC[C@@]2(C)O)C([C@H]1CC[C@@H]3[C@]4(CC[C@H](C(O[C@@H]4CC[C@]3(C)O)(C)C)O)C)(C)C
InChI: InChI=1S/C30H52O4/c1-19-9-10-22-21(13-17-29(22,7)32)26(2,3)20(19)11-12-23-28(6)16-14-24(31)27(4,5)34-25(28)15-18-30(23,8)33/h9,20-25,31-33H,10-18H2,1-8H3/t20-,21+,22+,23+,24+,25+,28+,29+,30-/m0/s1
SMILES: C=CCC1=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)C7=CC=C(C=C7)N8CCOCC8)O
InChI: InChI=1S/C39H30Cl2F5N3O6/c1-2-4-18-5-3-6-23(33(18)50)26-21-11-12-22-25(35(52)48(34(22)51)20-9-7-19(8-10-20)47-13-15-55-16-14-47)24(21)17-38(40)36(53)49(37(54)39(26,38)41)32-30(45)28(43)27(42)29(44)31(32)46/h2-3,5-11,22,24-26,50H,1,4,12-17H2/t22-,24+,25-,26+,38+,39-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=C(C=C(C=C2)C)O
InChI: InChI=1S/C18H24N2O5/c1-11-7-8-13(15(21)9-11)17(23)25-10-16(22)20-18(24)19-14-6-4-3-5-12(14)2/h7-9,12,14,21H,3-6,10H2,1-2H3,(H2,19,20,22,24)/t12-,14-/m0/s1
SMILES: COC[C@H]1C[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C(N=CN=C32)N[C@H]4CCN(C4)C5=NC=CC(=C5)C(F)(F)F
InChI: InChI=1S/C22H26F3N7O3/c1-35-9-12-6-15(19(34)18(12)33)32-11-29-17-20(27-10-28-21(17)32)30-14-3-5-31(8-14)16-7-13(2-4-26-16)22(23,24)25/h2,4,7,10-12,14-15,18-19,33-34H,3,5-6,8-9H2,1H3,(H,27,28,30)/t12-,14+,15-,18-,19+/m1/s1
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)F
InChI: InChI=1S/C21H31FO2/c1-13(23)21(22)11-8-18-16-5-4-14-12-15(24)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1
SMILES: CC(=O)OC[C@H]1C[C@H]2[C@@H]([C@H]1OCC3=CC=CC=C3)O2
InChI: InChI=1S/C15H18O4/c1-10(16)17-9-12-7-13-15(19-13)14(12)18-8-11-5-3-2-4-6-11/h2-6,12-15H,7-9H2,1H3/t12-,13+,14+,15+/m1/s1
SMILES: C/C=C/C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O
InChI: InChI=1S/C25H24O11/c1-2-3-20(29)33-11-19-22(30)23(31)24(32)25(36-19)34-14-8-15(27)21-16(28)10-17(35-18(21)9-14)12-4-6-13(26)7-5-12/h2-10,19,22-27,30-32H,11H2,1H3/b3-2+/t19-,22-,23+,24-,25-/m1/s1
SMILES: CC(=O)[C@]12CC=CC[C@H]1C[C@@H]3[C@@]2(CC[C@@H]4[C@H]3CC=C5[C@@]4(CC[C@H](C5)OC(=O)C)C)C
InChI: InChI=1S/C27H38O3/c1-17(28)27-12-6-5-7-20(27)16-24-22-9-8-19-15-21(30-18(2)29)10-13-25(19,3)23(22)11-14-26(24,27)4/h5-6,8,20-24H,7,9-16H2,1-4H3/t20-,21+,22+,23+,24-,25-,26-,27+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([Se+]1C[C@@H]([C@@H](CO)OS(=O)(=O)O)O)CO)O)O
InChI: InChI=1S/C9H18O9SSe/c10-1-7(18-19(15,16)17)5(12)3-20-4-6(13)9(14)8(20)2-11/h5-14H,1-4H2/p+1/t5-,6+,7+,8+,9-,20?/m0/s1
SMILES: CCOC(=O)C1=C[C@](/C(=N\O)/[C@@]2([C@H]1CCN(C2)C(=O)OCC3=CC=CC=C3)C)(C)O
InChI: InChI=1S/C22H28N2O6/c1-4-29-18(25)16-12-22(3,27)19(23-28)21(2)14-24(11-10-17(16)21)20(26)30-13-15-8-6-5-7-9-15/h5-9,12,17,27-28H,4,10-11,13-14H2,1-3H3/b23-19-/t17-,21-,22-/m0/s1
SMILES: CC1=NC2=C(S1)C[C@H]3[C@]([C@@H]2CC(=O)NC4=CC=CC=C4)(CC[C@H]([C@@]3(C)CO)O)C
InChI: InChI=1S/C23H30N2O3S/c1-14-24-21-16(11-20(28)25-15-7-5-4-6-8-15)22(2)10-9-19(27)23(3,13-26)18(22)12-17(21)29-14/h4-8,16,18-19,26-27H,9-13H2,1-3H3,(H,25,28)/t16-,18+,19-,22+,23+/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)/C(=C\N[C@@H](CC5=CC=C(C=C5)O)C(=O)O)/C4=C(C3=O)O)COC)C)C
InChI: InChI=1S/C32H35NO11/c1-15(34)43-21-12-31(2)19(9-10-22(31)36)24-26(21)32(3)23(14-42-4)44-30(41)18(25(32)28(38)27(24)37)13-33-20(29(39)40)11-16-5-7-17(35)8-6-16/h5-8,13,19-21,23,33,35,38H,9-12,14H2,1-4H3,(H,39,40)/b18-13-/t19-,20-,21+,23+,31-,32-/m0/s1
SMILES: C[C@@H]1CCN(C[C@@H]1N(C)C2=C3C=CNC3=NC=C2)S(=O)(=O)C4=C(ON=C4)C
InChI: InChI=1S/C18H23N5O3S/c1-12-6-9-23(27(24,25)17-10-21-26-13(17)2)11-16(12)22(3)15-5-8-20-18-14(15)4-7-19-18/h4-5,7-8,10,12,16H,6,9,11H2,1-3H3,(H,19,20)/t12-,16+/m1/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@@]4([C@@H]([C@H]2O1)ON([C@@H]4C(=O)O3)CC5=CC(=CC=C5)I)C(=O)NCCC(=O)NCCO)CCCCC
InChI: InChI=1S/C32H46IN3O8/c1-3-5-7-13-31(14-8-6-4-2)42-25-23-19-32(30(40)35-15-12-24(38)34-16-17-37)27(29(39)41-23)36(44-28(32)26(25)43-31)20-21-10-9-11-22(33)18-21/h9-11,18,23,25-28,37H,3-8,12-17,19-20H2,1-2H3,(H,34,38)(H,35,40)/t23-,25+,26+,27-,28-,32-/m1/s1
SMILES: CC(=O)N1C[C@@H]2[C@H](C(=O)C=C2C1)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H23NO8/c1-9(20)19-6-13-5-15(24)17(14(13)7-19)18(27-12(4)23)16(26-11(3)22)8-25-10(2)21/h5,14,16-18H,6-8H2,1-4H3/t14-,16+,17+,18+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O
InChI: InChI=1S/C27H30O16/c1-8-17(33)24(18(34)15(7-28)39-8)41-26-21(37)20(36)22(38)27(43-26)42-25-19(35)16-13(32)5-10(29)6-14(16)40-23(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,24,26-34,36-38H,7H2,1H3/t8-,15+,17-,18-,20+,21+,22+,24+,26+,27+/m0/s1
SMILES: CCOC#CC1(C(=CC(=O)[C@@H]2[C@]1([C@@H]3[C@H]([C@H](C[C@@]34C[C@]4(C2)O[Si](C)(C)C(C)(C)C)OC)CCOC)C)C)O
InChI: InChI=1S/C30H48O6Si/c1-11-35-15-13-30(32)20(2)16-23(31)22-17-29(36-37(9,10)26(3,4)5)19-28(29)18-24(34-8)21(12-14-33-7)25(28)27(22,30)6/h16,21-22,24-25,32H,11-12,14,17-19H2,1-10H3/t21-,22+,24-,25-,27-,28+,29-,30?/m0/s1
SMILES: C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=C4C=CC(=C5)OC
InChI: InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3/t12-,16-,17-,20-/m0/s1
SMILES: CC12CCCCC[C@@H]([C@@H]1N)CC3=C2C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)C(=O)O)O)O)O
InChI: InChI=1S/C22H31NO7/c1-22-8-4-2-3-5-12(19(22)23)9-11-6-7-13(10-14(11)22)29-21-17(26)15(24)16(25)18(30-21)20(27)28/h6-7,10,12,15-19,21,24-26H,2-5,8-9,23H2,1H3,(H,27,28)/t12-,15+,16+,17-,18-,19+,21-,22?/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@@H]2C1)C(=O)C3=C(N=CC=C3)SCC(=O)N
InChI: InChI=1S/C17H23N3O2S/c18-15(21)11-23-16-14(6-3-8-19-16)17(22)20-9-7-12-4-1-2-5-13(12)10-20/h3,6,8,12-13H,1-2,4-5,7,9-11H2,(H2,18,21)/t12-,13+/m0/s1
SMILES: C1CCC(CC1)NC(=O)[C@@H]2CC=CC[C@H]2C(=O)OCC(=C(Cl)Cl)Cl
InChI: InChI=1S/C17H22Cl3NO3/c18-14(15(19)20)10-24-17(23)13-9-5-4-8-12(13)16(22)21-11-6-2-1-3-7-11/h4-5,11-13H,1-3,6-10H2,(H,21,22)/t12-,13-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H]2COP(=O)(OP(=O)(OC[C@@H]3[C@@H]([C@@H](CO3)N4C=NC5=C(C4=O)N=C(N5[C@@H]([C@@H]1OC(=O)C)O2)Br)OCC=C)O)O
InChI: InChI=1S/C22H27BrN4O15P2/c1-4-5-35-16-12-6-36-13(16)7-37-43(31,32)42-44(33,34)38-8-14-17(39-10(2)28)18(40-11(3)29)21(41-14)27-19-15(25-22(27)23)20(30)26(12)9-24-19/h4,9,12-14,16-18,21H,1,5-8H2,2-3H3,(H,31,32)(H,33,34)/t12-,13-,14-,16-,17-,18-,21-/m1/s1
SMILES: C1=CC(=C(C=C1/C=C/C(=O)O[C@H]2[C@H](OC(=O)[C@@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)O)O
InChI: InChI=1S/C23H20O11/c24-11-18-21(33-19(29)7-3-12-1-5-14(25)16(27)9-12)22(23(31)32-18)34-20(30)8-4-13-2-6-15(26)17(28)10-13/h1-10,18,21-22,24-28H,11H2/b7-3+,8-4+/t18-,21+,22-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)N[C@@H]2C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4
InChI: InChI=1S/C23H28N2O/c1-16-9-8-14-21(17(16)2)24-22-19-12-6-7-13-20(19)23(26)25(22)15-18-10-4-3-5-11-18/h3-7,10-13,16-17,21-22,24H,8-9,14-15H2,1-2H3/t16-,17-,21-,22+/m1/s1
SMILES: COC1=C(C=C(C=C1)Cl)NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-]
InChI: InChI=1S/C16H18ClNO4/c1-22-12-5-4-10(17)7-11(12)18-15(19)13-8-2-3-9(6-8)14(13)16(20)21/h4-5,7-9,13-14H,2-3,6H2,1H3,(H,18,19)(H,20,21)/p-1/t8-,9+,13-,14+/m1/s1
SMILES: C[C@@H](C(=O)OC)NP(=O)(CCOCN1C=NC2=C(N=CN=C21)N)O[C@@H]3[C@H](O[C@H]([C@H]3O)N4C=NC5=C(N=CN=C54)N)CO
InChI: InChI=1S/C22H30N11O8P/c1-11(22(36)38-2)31-42(37,4-3-39-10-32-8-29-13-17(23)25-6-27-19(13)32)41-16-12(5-34)40-21(15(16)35)33-9-30-14-18(24)26-7-28-20(14)33/h6-9,11-12,15-16,21,34-35H,3-5,10H2,1-2H3,(H,31,37)(H2,23,25,27)(H2,24,26,28)/t11-,12+,15-,16+,21+,42?/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C6=CC=CC=C6C=C5)O)C(=O)N(C4=O)CCC(=O)O)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C34H28ClFN2O7/c1-34-23(31(43)38(33(34)45)17-7-11-25(36)24(35)14-17)15-22-19(28(34)21-8-6-16-4-2-3-5-18(16)29(21)41)9-10-20-27(22)32(44)37(30(20)42)13-12-26(39)40/h2-9,11,14,20,22-23,27-28,41H,10,12-13,15H2,1H3,(H,39,40)/t20-,22+,23-,27-,28+,34+/m0/s1
SMILES: CCCCCCCCCCCC[C@H]([C@@H](CC[C@H]([C@@H](CCC[C@@H]1[C@H](O1)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O)O)O)O
InChI: InChI=1S/C40H66O6Si/c1-5-6-7-8-9-10-11-12-13-20-26-34(41)36(43)29-30-37(44)35(42)27-21-28-38-39(46-38)31-45-47(40(2,3)4,32-22-16-14-17-23-32)33-24-18-15-19-25-33/h14-19,22-25,34-39,41-44H,5-13,20-21,26-31H2,1-4H3/t34-,35-,36-,37-,38-,39-/m1/s1
SMILES: CC(=O)[C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC)O4)C)OC
InChI: InChI=1S/C23H29NO4/c1-13(25)15-12-21-7-8-23(15,27-4)20-22(21)9-10-24(2)17(21)11-14-5-6-16(26-3)19(28-20)18(14)22/h5-6,15,17,20H,7-12H2,1-4H3/t15-,17-,20-,21-,22+,23-/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)COCCCCCN)CCC5=CNC6=CC=CC=C65
InChI: InChI=1S/C42H50N2O5/c43-25-13-4-14-26-45-31-39-41(47-29-33-17-7-2-8-18-33)42(48-30-34-19-9-3-10-20-34)40(46-28-32-15-5-1-6-16-32)38(49-39)24-23-35-27-44-37-22-12-11-21-36(35)37/h1-3,5-12,15-22,27,38-42,44H,4,13-14,23-26,28-31,43H2/t38-,39+,40-,41+,42+/m0/s1
SMILES: C[N+]1=CN(C=C1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-]
InChI: InChI=1S/C18H19N7O5S2/c1-23-3-4-24(8-23)5-9-6-31-16-12(15(27)25(16)13(9)17(28)29)21-14(26)11(22-30-2)10-7-32-18(19)20-10/h3-4,7-8,12,16H,5-6H2,1-2H3,(H3-,19,20,21,26,28,29)/b22-11-/t12-,16-/m1/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=C4C)Cl
InChI: InChI=1S/C20H18ClN5O3/c1-11-7-8-13(9-14(11)21)26-19(28)17-18(20(26)29)25(24-23-17)10-16(27)22-15-6-4-3-5-12(15)2/h3-9,17-18H,10H2,1-2H3,(H,22,27)/t17-,18-/m0/s1
SMILES: CCC(C)[C@@H](C(=O)OC[C@H]1[C@@H]([C@@H]([C@H](O1)N2C=NC(=N2)C(=O)N)O)O)N
InChI: InChI=1S/C14H23N5O6/c1-3-6(2)8(15)14(23)24-4-7-9(20)10(21)13(25-7)19-5-17-12(18-19)11(16)22/h5-10,13,20-21H,3-4,15H2,1-2H3,(H2,16,22)/t6?,7-,8-,9-,10-,13-/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)N(C)CC3=CC=CS3
InChI: InChI=1S/C19H25N3O5S/c1-13-6-3-4-8-19(13)17(25)22(18(26)20-19)11-16(24)27-12-15(23)21(2)10-14-7-5-9-28-14/h5,7,9,13H,3-4,6,8,10-12H2,1-2H3,(H,20,26)/t13-,19+/m1/s1
SMILES: CC(C)(C)C(=O)[C@H]1[C@@H](C2([C@H]3N1C4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C31H26ClNO3/c1-30(2,3)29(36)26-25(19-12-15-20(32)16-13-19)31(27(34)21-9-5-6-10-22(21)28(31)35)24-17-14-18-8-4-7-11-23(18)33(24)26/h4-17,24-26H,1-3H3/t24-,25-,26+/m0/s1
SMILES: C[C@]12C(=O)CC[C@@]3([C@]14CCN([C@@H]3CC5=C4C(=C(C=C5)O)O2)C)OCC6=CC=CC=C6
InChI: InChI=1S/C25H27NO4/c1-23-20(28)10-11-25(29-15-16-6-4-3-5-7-16)19-14-17-8-9-18(27)22(30-23)21(17)24(23,25)12-13-26(19)2/h3-9,19,27H,10-15H2,1-2H3/t19-,23+,24+,25-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)COCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C24H26N2O4S/c1-17-13-26(24(28)25-23(17)27)22-12-20(30-15-19-10-6-3-7-11-19)21(31-22)16-29-14-18-8-4-2-5-9-18/h2-11,13,20-22H,12,14-16H2,1H3,(H,25,27,28)/t20-,21+,22+/m0/s1
SMILES: CCC1=CC=C(C=C1)[C@H]2[C@@H]([C@H](CN2)C3=CC4=C(C=C3)OCC4)C(=O)OCC
InChI: InChI=1S/C23H27NO3/c1-3-15-5-7-16(8-6-15)22-21(23(25)26-4-2)19(14-24-22)17-9-10-20-18(13-17)11-12-27-20/h5-10,13,19,21-22,24H,3-4,11-12,14H2,1-2H3/t19-,21-,22+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[C@]2([C@@H](O2)C=C)[C@@H](C3=CC=CC=C3)OC(=O)C
InChI: InChI=1S/C20H20O5S/c1-4-18-20(25-18,26(22,23)17-12-10-14(2)11-13-17)19(24-15(3)21)16-8-6-5-7-9-16/h4-13,18-19H,1H2,2-3H3/t18-,19+,20+/m0/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
InChI: InChI=1S/C7H17O15P3/c1-18-7-6(22-25(15,16)17)5(21-24(12,13)14)4(3(2-8)19-7)20-23(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t3-,4-,5+,6+,7+/m1/s1
SMILES: CC(=O)N1CCN(CC1)C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C16H23N3O4/c1-11(20)17-6-8-18(9-7-17)14(21)10-19-15(22)12-4-2-3-5-13(12)16(19)23/h12-13H,2-10H2,1H3/t12-,13+
SMILES: C[C@H]1CC=C2[C@H](C1)[C@@H]([C@H](C(=N)C2(C#N)C#N)C#N)C3=CC=CC=C3Cl
InChI: InChI=1S/C20H17ClN4/c1-12-6-7-16-14(8-12)18(13-4-2-3-5-17(13)21)15(9-22)19(25)20(16,10-23)11-24/h2-5,7,12,14-15,18,25H,6,8H2,1H3/t12-,14-,15+,18-/m0/s1
SMILES: CC(C(CCCCCCCCCCCCCCC(=O)CCCCCCCC(C(CO)N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)NC(=O)OC(C)(C)C
InChI: InChI=1S/C39H76N2O11/c1-28(41-38(49)52-39(2,3)4)31(45)24-20-16-12-10-8-6-5-7-9-11-14-18-22-29(44)23-19-15-13-17-21-25-32(30(40)26-42)50-37-36(48)35(47)34(46)33(27-43)51-37/h28,30-37,42-43,45-48H,5-27,40H2,1-4H3,(H,41,49)/t28?,30?,31?,32?,33-,34-,35+,36-,37-/m1/s1
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3
InChI: InChI=1S/C21H23NO5S/c1-4-26-20(24)16-12(3)17(21(25)27-5-2)28-19(16)22-18(23)15-11-14(15)13-9-7-6-8-10-13/h6-10,14-15H,4-5,11H2,1-3H3,(H,22,23)/t14-,15+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C+]1[C@@H]4CC[C@]2(C4)O)CCC5=C3C=CC(=C5)OC.[Br-]
InChI: InChI=1S/C21H27O2.BrH/c1-20-9-8-17-16-6-4-15(23-2)11-13(16)3-5-18(17)19(20)14-7-10-21(20,22)12-14;/h4,6,11,14,17-18,22H,3,5,7-10,12H2,1-2H3;1H/q+1;/p-1/t14-,17-,18-,20+,21-;/m1./s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2[C@@H]3[C@H](C=C([C@H]2OCC4=CC=C(C=C4)OC)CO)N(C(=O)O3)CC5=CC=CC=C5
InChI: InChI=1S/C31H33NO7/c1-35-25-12-8-22(9-13-25)19-37-28-24(18-33)16-27-29(30(28)38-20-23-10-14-26(36-2)15-11-23)39-31(34)32(27)17-21-6-4-3-5-7-21/h3-16,27-30,33H,17-20H2,1-2H3/t27-,28+,29-,30-/m0/s1
SMILES: CC1([C@H]([C@@H]([C@H](N1)C2=C(C=CC(=C2)OC)OC)C(=O)OC)C(=O)OC)C(=O)O
InChI: InChI=1S/C18H23NO8/c1-18(17(22)23)13(16(21)27-5)12(15(20)26-4)14(19-18)10-8-9(24-2)6-7-11(10)25-3/h6-8,12-14,19H,1-5H3,(H,22,23)/t12-,13+,14+,18?/m0/s1
SMILES: C[C@@H]([C@H]1CCCO1)NC(=O)[C@H]2[C@H](C3CCC2CC3)C(=O)[O-]
InChI: InChI=1S/C16H25NO4/c1-9(12-3-2-8-21-12)17-15(18)13-10-4-6-11(7-5-10)14(13)16(19)20/h9-14H,2-8H2,1H3,(H,17,18)(H,19,20)/p-1/t9-,10?,11?,12+,13+,14-/m0/s1
SMILES: CC1=CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=NC=C(C=C3)Cl
InChI: InChI=1S/C14H13ClN2O2/c1-8-2-4-10-11(6-8)14(19)17(13(10)18)12-5-3-9(15)7-16-12/h2-3,5,7,10-11H,4,6H2,1H3/t10-,11-/m1/s1
SMILES: CC(C)(C)[C@@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CCC=C)C(=O)C(=O)NCCC(=O)OC(C)(C)C)C2(Cl)Cl)NC(=O)NC(C)(C)C
InChI: InChI=1S/C31H49Cl2N5O7/c1-11-12-13-18(22(40)25(42)34-15-14-19(39)45-30(8,9)10)35-24(41)21-20-17(31(20,32)33)16-38(21)26(43)23(28(2,3)4)36-27(44)37-29(5,6)7/h11,17-18,20-21,23H,1,12-16H2,2-10H3,(H,34,42)(H,35,41)(H2,36,37,44)/t17-,18?,20-,21-,23+/m0/s1
SMILES: CC1=C(OC=N1)C2=NN=C(N2C)SCCCN3C[C@@H]4C[C@@]4(C3)C5=CC(=C(C=C5)C(=O)C)OC
InChI: InChI=1S/C24H29N5O3S/c1-15-21(32-14-25-15)22-26-27-23(28(22)3)33-9-5-8-29-12-18-11-24(18,13-29)17-6-7-19(16(2)30)20(10-17)31-4/h6-7,10,14,18H,5,8-9,11-13H2,1-4H3/t18-,24+/m0/s1
SMILES: CC1=CC2=NC(=CN2C=C1)CCNC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C18H21N3O3/c1-12-7-9-21-11-13(20-16(21)10-12)6-8-19-17(22)14-4-2-3-5-15(14)18(23)24/h2-3,7,9-11,14-15H,4-6,8H2,1H3,(H,19,22)(H,23,24)/p-1/t14-,15-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CN3[C@H](COC3=O)[C@H]([C@@H]2OC(=O)C)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C32H37NO8SSi/c1-22-16-18-24(19-17-22)42(36,37)40-28-20-33-27(21-38-31(33)35)29(30(28)39-23(2)34)41-43(32(3,4)5,25-12-8-6-9-13-25)26-14-10-7-11-15-26/h6-19,27-30H,20-21H2,1-5H3/t27-,28+,29-,30-/m1/s1
SMILES: CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC
InChI: InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
SMILES: CC(C)CCN([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=CC=CC=C23)C(=O)NCCO)C(=O)CC4CCCC4
InChI: InChI=1S/C27H38N2O5/c1-17(2)11-13-29(23(31)15-18-7-3-4-8-18)21-16-20(27(33)28-12-14-30)24-19-9-5-6-10-22(19)34-26(24)25(21)32/h5-6,9-10,16-18,21,24-26,30,32H,3-4,7-8,11-15H2,1-2H3,(H,28,33)/t21-,24+,25+,26+/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H]([C@]3(CCC(=O)C(=C3[C@H]2OC1=O)C)C)O)[Se]C4=CC=CC=C4
InChI: InChI=1S/C21H24O4Se/c1-11-14(22)9-10-21(3)16(11)17-15(12(2)20(24)25-17)18(19(21)23)26-13-7-5-4-6-8-13/h4-8,12,15,17-19,23H,9-10H2,1-3H3/t12-,15-,17-,18+,19-,21-/m0/s1
SMILES: C[C@]12CCC3(C[C@@H]1CC[C@@H]4[C@@H]2C(C[C@]5([C@H]4CC[C@]5(C)O)C)O)OCCO3
InChI: InChI=1S/C22H36O4/c1-19-8-9-22(25-10-11-26-22)12-14(19)4-5-15-16-6-7-21(3,24)20(16,2)13-17(23)18(15)19/h14-18,23-24H,4-13H2,1-3H3/t14-,15-,16-,17?,18+,19-,20-,21-/m0/s1
SMILES: CC1=C(C=CC(=C1)NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3)NC(=O)C4=CC=CS4
InChI: InChI=1S/C21H20N2O4S/c1-11-9-14(6-7-15(11)23-19(24)16-3-2-8-28-16)22-20(25)17-12-4-5-13(10-12)18(17)21(26)27/h2-9,12-13,17-18H,10H2,1H3,(H,22,25)(H,23,24)(H,26,27)/t12-,13+,17+,18+/m1/s1
SMILES: CC1=CC2=C(C=C1C)NC3=CC(CC(=O)[C@@H]3[C@H](N2)C4=C(C=CC=C4Cl)F)(C)C
InChI: InChI=1S/C23H24ClFN2O/c1-12-8-16-17(9-13(12)2)27-22(20-14(24)6-5-7-15(20)25)21-18(26-16)10-23(3,4)11-19(21)28/h5-10,21-22,26-27H,11H2,1-4H3/t21-,22-/m1/s1
SMILES: CCOC1([C@@]2([C@@H]([C@@]2(C(=[NH+]1)N)C#N)C3=CC=C(C=C3)C)C#N)OCC
InChI: InChI=1S/C18H20N4O2/c1-4-23-18(24-5-2)17(11-20)14(13-8-6-12(3)7-9-13)16(17,10-19)15(21)22-18/h6-9,14H,4-5H2,1-3H3,(H2,21,22)/p+1/t14-,16-,17-/m1/s1
SMILES: CC1(CC(=O)[C@H]2[C@@H](N3C(=NC(=N3)C(F)(F)F)NC2=C1)C4=CC(=CC(=C4)F)F)C
InChI: InChI=1S/C18H15F5N4O/c1-17(2)6-11-13(12(28)7-17)14(8-3-9(19)5-10(20)4-8)27-16(24-11)25-15(26-27)18(21,22)23/h3-6,13-14H,7H2,1-2H3,(H,24,25,26)/t13-,14-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H]3CCCC[C@]3(CC[NH+]2CC(=O)NC4=CC=CC5=CC=CC=C54)O
InChI: InChI=1S/C28H32N2O3/c1-33-22-14-12-21(13-15-22)27-24-10-4-5-16-28(24,32)17-18-30(27)19-26(31)29-25-11-6-8-20-7-2-3-9-23(20)25/h2-3,6-9,11-15,24,27,32H,4-5,10,16-19H2,1H3,(H,29,31)/p+1/t24-,27-,28-/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC(=C(C=C4)NC(=O)C5=CC=CS5)Cl
InChI: InChI=1S/C20H15ClN2O3S/c21-13-9-12(5-6-14(13)22-18(24)15-2-1-7-27-15)23-19(25)16-10-3-4-11(8-10)17(16)20(23)26/h1-7,9-11,16-17H,8H2,(H,22,24)/t10-,11+,16-,17+
SMILES: CC(=O)N[C@H]1C[C@H](O[C@@H]([C@H]1OC(=O)C2=CC=CC=C2)CBr)OC
InChI: InChI=1S/C16H20BrNO5/c1-10(19)18-12-8-14(21-2)22-13(9-17)15(12)23-16(20)11-6-4-3-5-7-11/h3-7,12-15H,8-9H2,1-2H3,(H,18,19)/t12-,13+,14-,15-/m0/s1
SMILES: C/C(=C\CO)/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC(=O)CC2=CC(=C(C=C2)O)O)OC(=O)CC3=CC=C(C=C3)O
InChI: InChI=1S/C27H32O12/c1-15(8-9-28)14-36-27-26(39-22(33)11-16-2-5-18(30)6-3-16)25(24(35)21(13-29)37-27)38-23(34)12-17-4-7-19(31)20(32)10-17/h2-8,10,21,24-32,35H,9,11-14H2,1H3/b15-8+/t21-,24-,25+,26-,27-/m1/s1
SMILES: C1CN2[C@@H]([C@H]1[NH3+])C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CO4
InChI: InChI=1S/C16H15N3O3/c17-11-5-6-19-14(11)15(20)18-12-4-3-9(8-10(12)16(19)21)13-2-1-7-22-13/h1-4,7-8,11,14H,5-6,17H2,(H,18,20)/p+1/t11-,14-/m0/s1
SMILES: CC1=CC(=C(C=C1)NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)C
InChI: InChI=1S/C22H26N2O5/c1-12-3-6-16(13(2)9-12)23-17(25)11-29-18(26)7-8-24-21(27)19-14-4-5-15(10-14)20(19)22(24)28/h3,6,9,14-15,19-20H,4-5,7-8,10-11H2,1-2H3,(H,23,25)/t14-,15+,19-,20+
SMILES: C[C@@]1([C@H]2[C@@H]([C@@H](N1)C3=CC=C(C=C3)Cl)C(=O)N(C2=O)C)C(=O)OC
InChI: InChI=1S/C16H17ClN2O4/c1-16(15(22)23-3)11-10(13(20)19(2)14(11)21)12(18-16)8-4-6-9(17)7-5-8/h4-7,10-12,18H,1-3H3/t10-,11-,12-,16+/m0/s1
SMILES: COCCOC(=O)[C@H]1[C@@H](N2C(=NC=N2)NC1=C)C3=CC(=C(C(=C3)OC)OC)OC
InChI: InChI=1S/C19H24N4O6/c1-11-15(18(24)29-7-6-25-2)16(23-19(22-11)20-10-21-23)12-8-13(26-3)17(28-5)14(9-12)27-4/h8-10,15-16H,1,6-7H2,2-5H3,(H,20,21,22)/t15-,16+/m1/s1
SMILES: C[C@@]12[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)[C@@](C1=O)(C(=C2C5=CC=CC=C5)C6=CC=CC=C6)C
InChI: InChI=1S/C30H22F3NO3/c1-28-21(17-10-5-3-6-11-17)22(18-12-7-4-8-13-18)29(2,27(28)37)24-23(28)25(35)34(26(24)36)20-15-9-14-19(16-20)30(31,32)33/h3-16,23-24H,1-2H3/t23-,24+,28-,29+
SMILES: CC(=O)CCCC(=O)N(CC1=CC=C(C=C1)Cl)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)C=O)C(=O)NCCO
InChI: InChI=1S/C30H33ClN2O8/c1-17(36)4-3-5-25(37)33(15-18-6-8-20(31)9-7-18)23-14-22(30(39)32-10-11-34)26-21-12-19(16-35)13-24(40-2)28(21)41-29(26)27(23)38/h6-9,12-14,16,23,26-27,29,34,38H,3-5,10-11,15H2,1-2H3,(H,32,39)/t23-,26+,27+,29+/m1/s1
SMILES: CC1=CC(=O)[C@@H]2C[C@@H]3C(=CCN4N3C(=O)N(C4=O)CCC5=NC6=CC(=C(C=C6N(C5=O)C)OC)OC)[C@@H]([C@@]2(C1=O)C)C7=C(C(=CC(=C7)Br)OC)O
InChI: InChI=1S/C36H36BrN5O9/c1-17-11-26(43)21-14-24-19(30(36(21,2)32(17)45)20-12-18(37)13-29(51-6)31(20)44)7-10-41-34(47)40(35(48)42(24)41)9-8-22-33(46)39(3)25-16-28(50-5)27(49-4)15-23(25)38-22/h7,11-13,15-16,21,24,30,44H,8-10,14H2,1-6H3/t21-,24+,30+,36+/m0/s1
SMILES: C/C/1=C/CC/C(=C/[C@H]([C@H](CC/C(=C/CC1)/C)C(=C)C)O)/C
InChI: InChI=1S/C20H32O/c1-15(2)19-13-12-17(4)10-6-8-16(3)9-7-11-18(5)14-20(19)21/h9-10,14,19-21H,1,6-8,11-13H2,2-5H3/b16-9-,17-10+,18-14+/t19-,20-/m1/s1
SMILES: C1[C@@H]([C@H](OC1N2C=C(C(=O)NC2=O)[N+](=O)[O-])CO)O
InChI: InChI=1S/C9H11N3O7/c13-3-6-5(14)1-7(19-6)11-2-4(12(17)18)8(15)10-9(11)16/h2,5-7,13-14H,1,3H2,(H,10,15,16)/t5-,6+,7?/m0/s1
SMILES: CC1=CC=C(C=C1)/C=C/C2=CC=CC=C2[C@H]3C[C@H]4C(=C[C@@]3(C(=O)O4)Br)C=C
InChI: InChI=1S/C24H21BrO2/c1-3-18-15-24(25)21(14-22(18)27-23(24)26)20-7-5-4-6-19(20)13-12-17-10-8-16(2)9-11-17/h3-13,15,21-22H,1,14H2,2H3/b13-12+/t21-,22+,24-/m1/s1
SMILES: C[C@@H]1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C22H18N2O6/c1-13-6-4-9-16-19(13)21(26)23(20(16)25)17-10-2-3-11-18(17)30-22(27)14-7-5-8-15(12-14)24(28)29/h2-8,10-13,16,19H,9H2,1H3/t13-,16-,19-/m1/s1
SMILES: C1CC[C@H]([C@H](C1)NS(=O)(=O)C2=CC=CC=C2)SC3=NN=CN3N
InChI: InChI=1S/C14H19N5O2S2/c15-19-10-16-17-14(19)22-13-9-5-4-8-12(13)18-23(20,21)11-6-2-1-3-7-11/h1-3,6-7,10,12-13,18H,4-5,8-9,15H2/t12-,13+/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(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)CCCC(=O)O
InChI: InChI=1S/C29H29NO9/c1-13-9-19(31)25-18(26(13)34)12-17-15(23(25)14-10-20(38-2)27(35)21(11-14)39-3)6-7-16-24(17)29(37)30(28(16)36)8-4-5-22(32)33/h6,9-11,16-17,23-24,35H,4-5,7-8,12H2,1-3H3,(H,32,33)/t16-,17+,23-,24-/m0/s1
SMILES: C=C1[C@H]([C@H]([C@](O1)(CO)N2C=NC3=C(N=CN=C32)N)O)O
InChI: InChI=1S/C11H13N5O4/c1-5-7(18)8(19)11(2-17,20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-4,7-8,17-19H,1-2H2,(H2,12,13,14)/t7-,8-,11-/m1/s1
SMILES: C[C@@H]1[C@H](C(=O)[C@]2([C@H]([C@]1(C)CC=C)CCC=C2C)C)OC(=O)C
InChI: InChI=1S/C19H28O3/c1-7-11-18(5)13(3)16(22-14(4)20)17(21)19(6)12(2)9-8-10-15(18)19/h7,9,13,15-16H,1,8,10-11H2,2-6H3/t13-,15+,16-,18-,19-/m1/s1
SMILES: C[C@@]12CCCC([C@H]1CCC(=C)[C@H]2C[C@H]3[C@@H](C[C@@H](O3)OC)C=O)(C)C
InChI: InChI=1S/C21H34O3/c1-14-7-8-18-20(2,3)9-6-10-21(18,4)16(14)12-17-15(13-22)11-19(23-5)24-17/h13,15-19H,1,6-12H2,2-5H3/t15-,16+,17-,18+,19+,21-/m0/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC(=C(C(=C8Br)Br)O)OC)C(=O)N(C7=O)C9=CC=CC(=C9)C(=O)O)C
InChI: InChI=1S/C42H33Br2ClN4O8S/c1-17-23-13-19(45)8-11-29(23)58-36(17)27-16-30(47(3)46-27)49-38(52)26-14-24-21(32(42(26,2)41(49)56)25-15-28(57-4)35(50)34(44)33(25)43)9-10-22-31(24)39(53)48(37(22)51)20-7-5-6-18(12-20)40(54)55/h5-9,11-13,15-16,22,24,26,31-32,50H,10,14H2,1-4H3,(H,54,55)/t22-,24+,26-,31-,32+,42+/m0/s1
SMILES: CC(=O)C1=NN([C@H]2[C@H]1C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C19H14ClN3O3/c1-11(24)16-15-17(23(21-16)14-9-7-12(20)8-10-14)19(26)22(18(15)25)13-5-3-2-4-6-13/h2-10,15,17H,1H3/t15-,17-/m0/s1
SMILES: CC1=C(C2=CC=CC=C2C3=C1CCC(O3)(C)OP(=O)(O)OC4[C@H]([C@H](C([C@H]([C@@H]4OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O
InChI: InChI=1S/C21H32O26P6/c1-9-10-7-8-21(2,40-14(10)12-6-4-3-5-11(12)13(9)22)47-53(38,39)46-20-18(44-51(32,33)34)16(42-49(26,27)28)15(41-48(23,24)25)17(43-50(29,30)31)19(20)45-52(35,36)37/h3-6,15-20,22H,7-8H2,1-2H3,(H,38,39)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34)(H2,35,36,37)/t15?,16-,17+,18-,19-,20?,21?/m0/s1