EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H]3CC(=O)C4=CC=CC=C34)OCC5=CC(=CC=C5)Br)O)O)OCC6=CC(=CC=C6)Br)O
InChI: InChI=1S/C38H36Br2N2O8/c39-24-10-5-7-21(15-24)19-49-35(37(47)41-29-18-30(43)28-14-4-3-13-27(28)29)33(45)34(46)36(50-20-22-8-6-11-25(40)16-22)38(48)42-32-26-12-2-1-9-23(26)17-31(32)44/h1-16,29,31-36,44-46H,17-20H2,(H,41,47)(H,42,48)/t29-,31-,32+,33-,34-,35-,36-/m1/s1
SMILES: COC1=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)N(C4=O)C6=CC=C(C=C6)[N+](=O)[O-])Br)O
InChI: InChI=1S/C29H20Br2N2O8/c1-41-22-9-12(8-19(30)27(22)36)23-15-6-7-16-24(17(15)10-18-25(23)21(34)11-20(31)26(18)35)29(38)32(28(16)37)13-2-4-14(5-3-13)33(39)40/h2-6,8-9,11,16-17,23-24,36H,7,10H2,1H3/t16-,17+,23-,24-/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2[C@H]3[C@@H](CN2CC=C)CON3)OC
InChI: InChI=1S/C16H22N2O3/c1-4-7-18-9-12-10-21-17-15(12)16(18)11-5-6-13(19-2)14(8-11)20-3/h4-6,8,12,15-17H,1,7,9-10H2,2-3H3/t12-,15+,16-/m0/s1
SMILES: CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@H]([C@@H]3C2)CC=C5[C@@]4(CC[C@@H](C5)O)C)C)CCC(C)CN6CCOCC6
InChI: InChI=1S/C31H49NO3/c1-20(19-32-13-15-34-16-14-32)5-8-27-21(2)29-28(35-27)18-26-24-7-6-22-17-23(33)9-11-30(22,3)25(24)10-12-31(26,29)4/h6,20,23-26,28-29,33H,5,7-19H2,1-4H3/t20?,23-,24+,25-,26-,28-,29-,30-,31-/m0/s1
SMILES: C[C@@]12CCCC([C@@H]1CC[C@@H]([C@H]2COCC3=CC=CC=C3)O)(C)C
InChI: InChI=1S/C21H32O2/c1-20(2)12-7-13-21(3)17(18(22)10-11-19(20)21)15-23-14-16-8-5-4-6-9-16/h4-6,8-9,17-19,22H,7,10-15H2,1-3H3/t17-,18+,19+,21+/m1/s1
SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@H]3C[C@H](O[C@H](O3)C4=CC=C(C=C4)C5=CC=CC(=C5)CN6C(=O)C7=CC=CC=C7C6=O)C8=CC=C(C=C8)CO
InChI: InChI=1S/C47H53N3O6/c1-47(2,3)48-43(52)41-24-23-33-10-4-7-14-40(33)49(41)28-37-26-42(34-17-15-30(29-51)16-18-34)56-46(55-37)35-21-19-32(20-22-35)36-11-8-9-31(25-36)27-50-44(53)38-12-5-6-13-39(38)45(50)54/h5-6,8-9,11-13,15-22,25,33,37,40-42,46,51H,4,7,10,14,23-24,26-29H2,1-3H3,(H,48,52)/t33-,37-,40-,41-,42+,46+/m1/s1
SMILES: C[C@]12C3=CC(=CC1=C(C(=C4[C@@]2(C(=CC(=C4)C(C)(C)C)C(=C3)[Si](C)(C)C)C)Br)Br)C(C)(C)C
InChI: InChI=1S/C29H38Br2Si/c1-26(2,3)17-12-19-16-23(32(9,10)11)20-13-18(27(4,5)6)15-22-25(31)24(30)21(14-17)28(19,7)29(20,22)8/h12-16H,1-11H3/t28-,29-/m0/s1
SMILES: CC(=O)O[C@@H]1CC[C@@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@]4(C#C)O)C)C
InChI: InChI=1S/C23H34O3/c1-5-23(25)13-10-20-18-7-6-16-14-17(26-15(2)24)8-11-21(16,3)19(18)9-12-22(20,23)4/h1,16-20,25H,6-14H2,2-4H3/t16-,17-,18-,19+,20-,21-,22-,23-/m1/s1
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@H]3[C@H]4CCCN4[C@@]5([C@@H]3C2=O)C6=C(C(=CC=C6)Cl)NC5=O
InChI: InChI=1S/C23H19ClN4O5/c1-11-7-8-12(28(32)33)10-16(11)27-20(29)17-15-6-3-9-26(15)23(18(17)21(27)30)13-4-2-5-14(24)19(13)25-22(23)31/h2,4-5,7-8,10,15,17-18H,3,6,9H2,1H3,(H,25,31)/t15-,17+,18+,23-/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@H](C2=O)N3C(=O)C4=CC=CC=C4C3=O)C(=O)OC)C
InChI: InChI=1S/C17H16N2O5S/c1-17(2)11(16(23)24-3)19-14(22)10(15(19)25-17)18-12(20)8-6-4-5-7-9(8)13(18)21/h4-7,10-11,15H,1-3H3/t10-,11-,15+/m0/s1
SMILES: C[C@H]1O[C@H]2[C@@H](C[C@@H]([C@@H]([C@H]2O1)O)OC)OC(=O)NC3CCCCC3
InChI: InChI=1S/C16H27NO6/c1-9-21-14-12(8-11(20-2)13(18)15(14)22-9)23-16(19)17-10-6-4-3-5-7-10/h9-15,18H,3-8H2,1-2H3,(H,17,19)/t9-,11-,12+,13-,14-,15+/m0/s1
SMILES: CCCCN1C(=O)[C@H]2[C@H](N(O[C@@H]2C1=O)C3=CC=CC=C3C)C4=CC=C(C=C4)N(C)C
InChI: InChI=1S/C24H29N3O3/c1-5-6-15-26-23(28)20-21(17-11-13-18(14-12-17)25(3)4)27(30-22(20)24(26)29)19-10-8-7-9-16(19)2/h7-14,20-22H,5-6,15H2,1-4H3/t20-,21+,22-/m0/s1
SMILES: C1[C@H]2[C@@H]([C@@H]([C@H]1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C=CC(=C4)Br)N[C@H]2C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C24H19BrClN3O4S/c25-14-7-10-18-16(11-14)22-17(24(27-18)13-5-8-15(9-6-13)28(30)31)12-21(23(22)26)34-20-4-2-1-3-19(20)29(32)33/h1-11,17,21-24,27H,12H2/t17-,21-,22-,23+,24-/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)N[C@@H](C)C3=CC=C(C=C3)F
InChI: InChI=1S/C19H24FN3O3/c1-12-5-3-4-10-19(12)17(25)23(18(26)22-19)11-16(24)21-13(2)14-6-8-15(20)9-7-14/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,21,24)(H,22,26)/t12-,13-,19+/m0/s1
SMILES: C[C@@]12CCC=C([C@H]1CC[C@]34[C@H]2C[C@H](CC3)C(=C)C4)C(=O)OC
InChI: InChI=1S/C20H28O2/c1-13-12-20-9-6-14(13)11-17(20)19(2)8-4-5-15(18(21)22-3)16(19)7-10-20/h5,14,16-17H,1,4,6-12H2,2-3H3/t14-,16+,17-,19+,20+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O
InChI: InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1
SMILES: CC(=O)O[C@H]1CC(=O)N([C@@H]1[C@@H](CCOCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C31H33NO6/c1-23(33)38-28-19-29(34)32(20-24-11-5-2-6-12-24)30(28)27(17-18-36-21-25-13-7-3-8-14-25)31(35)37-22-26-15-9-4-10-16-26/h2-16,27-28,30H,17-22H2,1H3/t27-,28+,30-/m1/s1
SMILES: CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NNC(=S)N[C@H]2CCCC[C@H]2C
InChI: InChI=1S/C21H33N3O4S/c1-5-26-17-12-15(13-18(27-6-2)19(17)28-7-3)20(25)23-24-21(29)22-16-11-9-8-10-14(16)4/h12-14,16H,5-11H2,1-4H3,(H,23,25)(H2,22,24,29)/t14-,16+/m1/s1
SMILES: C[C@@H]1C[C@H]2C[C@H]([C@@]34C[C@@H](C[N+]5([C@]3(C1)[C@@H]2C[C@H]4C5)C)O)O
InChI: InChI=1S/C17H28NO2/c1-10-3-11-4-15(20)16-7-13(19)9-18(2)8-12(16)5-14(11)17(16,18)6-10/h10-15,19-20H,3-9H2,1-2H3/q+1/t10-,11+,12+,13+,14-,15-,16+,17-,18?/m1/s1
SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)/C=C\C5=CC(=C(C=C5)O)OC)C)C)C(C)C
InChI: InChI=1S/C39H56O4/c1-8-28(25(2)3)12-9-26(4)32-15-16-33-31-14-13-29-24-30(19-21-38(29,5)34(31)20-22-39(32,33)6)43-37(41)18-11-27-10-17-35(40)36(23-27)42-7/h9-13,17-18,23,25-26,28,30-34,40H,8,14-16,19-22,24H2,1-7H3/b12-9+,18-11-/t26-,28-,30+,31+,32-,33+,34+,38+,39-/m1/s1
SMILES: C[C@H](C[C@@H]([C@@H]1C(O1)(C)C)OC(=O)C)C2=C3C[C@@H]([C@@H]4[C@@]([C@]3(CC2)C)(CC[C@@H]5[C@@]4(C[C@@H]([C@@H](C5(C)C)O)O)C)C)OC(=O)C
InChI: InChI=1S/C34H54O7/c1-18(15-25(40-20(3)36)29-31(6,7)41-29)21-11-13-33(9)22(21)16-24(39-19(2)35)27-32(8)17-23(37)28(38)30(4,5)26(32)12-14-34(27,33)10/h18,23-29,37-38H,11-17H2,1-10H3/t18-,23+,24+,25+,26+,27+,28+,29-,32+,33+,34+/m1/s1
SMILES: CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O.C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl
InChI: InChI=1S/C16H25NO2.C14H11Cl2NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1-7,17H,8H2,(H,18,19)/t14-,16+;/m1./s1
SMILES: COC1=C(C(=CC(=C1)[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)C8=CC=CC(=C8)C(=O)O)I)O
InChI: InChI=1S/C40H28Cl2F3IN4O8/c1-58-29-13-18(12-28(46)32(29)51)31-23-9-10-24-30(36(54)49(34(24)52)22-4-2-3-17(11-22)37(55)56)25(23)15-26-35(53)50(38(57)39(26,31)19-5-7-21(41)8-6-19)48-33-27(42)14-20(16-47-33)40(43,44)45/h2-9,11-14,16,24-26,30-31,51H,10,15H2,1H3,(H,47,48)(H,55,56)/t24-,25+,26-,30-,31-,39+/m0/s1
SMILES: C[C@H]([C@H]([C@@H]1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC(O3)(C)C)OC(O2)(C)C)NC(=O)OC(C)(C)C)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C26H36N2O11/c1-13(33-21(29)14-9-11-15(12-10-14)28(31)32)16(27-23(30)39-24(2,3)4)17-18-19(36-25(5,6)35-18)20-22(34-17)38-26(7,8)37-20/h9-13,16-20,22H,1-8H3,(H,27,30)/t13-,16-,17-,18+,19+,20-,22-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H](CC4=C3C=CC(=C4)OCC5=CC=CC=C5)CCCO
InChI: InChI=1S/C34H50O3Si/c1-33(2,3)38(5,6)37-31-17-16-30-32-25(13-10-20-35)21-26-22-27(36-23-24-11-8-7-9-12-24)14-15-28(26)29(32)18-19-34(30,31)4/h7-9,11-12,14-15,22,25,29-32,35H,10,13,16-21,23H2,1-6H3/t25-,29-,30+,31+,32-,34+/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC=CC=C5OCCO)C(=O)N(C4=O)C(=O)N
InChI: InChI=1S/C26H24N2O7/c1-12-10-18(30)22-17(23(12)31)11-16-13(20(22)14-4-2-3-5-19(14)35-9-8-29)6-7-15-21(16)25(33)28(24(15)32)26(27)34/h2-6,10,15-16,20-21,29H,7-9,11H2,1H3,(H2,27,34)/t15-,16+,20+,21-/m0/s1
SMILES: CC(=O)OC[C@@]12[C@H](CC[C@]([C@@]13[C@@H]([C@@H]([C@H]([C@H]2OC(=O)C4=CC=CC=C4)OC(=O)C)C(O3)(C)C)OC(=O)C)(C)O)O
InChI: InChI=1S/C28H36O11/c1-15(29)35-14-27-19(32)12-13-26(6,34)28(27)22(37-17(3)31)20(25(4,5)39-28)21(36-16(2)30)23(27)38-24(33)18-10-8-7-9-11-18/h7-11,19-23,32,34H,12-14H2,1-6H3/t19-,20+,21+,22+,23+,26-,27-,28-/m0/s1
SMILES: C[C@H]1CCN([C@H]([C@@]1(C2=C(C=C(C=C2)F)F)O)C)C(=O)[C@@H]3CN(C[C@H]3C4=C(C=C(C=C4)F)F)C(C)C
InChI: InChI=1S/C27H32F4N2O2/c1-15(2)32-13-21(20-7-5-18(28)11-24(20)30)22(14-32)26(34)33-10-9-16(3)27(35,17(33)4)23-8-6-19(29)12-25(23)31/h5-8,11-12,15-17,21-22,35H,9-10,13-14H2,1-4H3/t16-,17-,21-,22+,27-/m0/s1
SMILES: C1[C@@H]([C@@H]2CO[C@@H](C1=O)O2)N3C(=S)N(N=N3)C4=CC=CC=C4Cl
InChI: InChI=1S/C13H11ClN4O3S/c14-7-3-1-2-4-8(7)17-13(22)18(16-15-17)9-5-10(19)12-20-6-11(9)21-12/h1-4,9,11-12H,5-6H2/t9-,11-,12+/m0/s1
SMILES: C[C@]12CCC(=O)[C@@]([C@@H]1CC[C@@]34[C@@H]2C[C@H]5[C@@H](C3=O)[C@@]5(C4=O)C)(C)CI
InChI: InChI=1S/C20H25IO3/c1-17-6-5-13(22)18(2,9-21)11(17)4-7-20-12(17)8-10-14(15(20)23)19(10,3)16(20)24/h10-12,14H,4-9H2,1-3H3/t10-,11+,12+,14-,17-,18-,19+,20+/m0/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@H]5[C@@]6(CC6C(C)C)N=C(O5)C7=CC=CC=C7)O)OC(=O)C8=CC=CC=C8)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C46H53NO13/c1-23(2)29-20-44(29)38(58-39(47-44)27-15-11-9-12-16-27)41(53)57-30-21-46(54)37(59-40(52)28-17-13-10-14-18-28)35-43(8,31(50)19-32-45(35,22-55-32)60-26(5)49)36(51)34(56-25(4)48)33(24(30)3)42(46,6)7/h9-18,23,29-32,34-35,37-38,50,54H,19-22H2,1-8H3/t29?,30-,31-,32+,34+,35-,37-,38-,43+,44-,45-,46+/m0/s1
SMILES: CC[C@@H]1[C@H]([C@H](CCC/C(=C\C[C@H](OC(=O)C[C@@H](C2(C1=O)CCC2)O)/C(=C/C3=CC=CC=N3)/C)/C)C)O
InChI: InChI=1S/C30H43NO5/c1-5-24-28(34)21(3)11-8-10-20(2)13-14-25(22(4)18-23-12-6-7-17-31-23)36-27(33)19-26(32)30(29(24)35)15-9-16-30/h6-7,12-13,17-18,21,24-26,28,32,34H,5,8-11,14-16,19H2,1-4H3/b20-13-,22-18+/t21-,24+,25-,26-,28-/m0/s1
SMILES: C1[C@@H]([C@@H]1C(=O)N/N=C\C2=CN=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C16H15N3O/c20-16(19-18-11-12-5-4-8-17-10-12)15-9-14(15)13-6-2-1-3-7-13/h1-8,10-11,14-15H,9H2,(H,19,20)/b18-11-/t14-,15-/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)/N=C\C4=CC=C(O4)C5=C(C=C(C=C5)F)[N+](=O)[O-]
InChI: InChI=1S/C20H14FN3O5/c21-12-3-5-14(15(8-12)24(27)28)16-6-4-13(29-16)9-22-23-19(25)17-10-1-2-11(7-10)18(17)20(23)26/h1-6,8-11,17-18H,7H2/b22-9-/t10-,11+,17-,18-/m0/s1
SMILES: CC(C)(C)OC(=O)/C=C/[C@H]1CCCC[C@@]1(/C=C/C(=O)OC(C)(C)C)O
InChI: InChI=1S/C20H32O5/c1-18(2,3)24-16(21)11-10-15-9-7-8-13-20(15,23)14-12-17(22)25-19(4,5)6/h10-12,14-15,23H,7-9,13H2,1-6H3/b11-10+,14-12+/t15-,20+/m1/s1
SMILES: C[C@@H](C(=O)OCC1=CC=CC=C1)NP(=O)(OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)/C=C/Br)O)OC4=CC=C(C=C4)Cl
InChI: InChI=1S/C27H28BrClN3O9P/c1-17(26(35)38-15-18-5-3-2-4-6-18)31-42(37,41-21-9-7-20(29)8-10-21)39-16-23-22(33)13-24(40-23)32-14-19(11-12-28)25(34)30-27(32)36/h2-12,14,17,22-24,33H,13,15-16H2,1H3,(H,31,37)(H,30,34,36)/b12-11+/t17-,22-,23+,24+,42?/m0/s1
SMILES: CCOC1=CC=CC=C1[C@@H]2[C@H]3CCCC[C@@]3(CCN2C(=O)/C=C/C4=CC=CC=C4)O
InChI: InChI=1S/C26H31NO3/c1-2-30-23-14-7-6-12-21(23)25-22-13-8-9-17-26(22,29)18-19-27(25)24(28)16-15-20-10-4-3-5-11-20/h3-7,10-12,14-16,22,25,29H,2,8-9,13,17-19H2,1H3/b16-15+/t22-,25-,26+/m1/s1
SMILES: CC1=CC(=CC(=C1OC)OCC2=CC=CC=C2)C[C@H]3C(=O)O[C@@H]([C@@H](N3C(=O)OC(C)(C)C)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C37H39NO6/c1-25-21-27(23-31(33(25)41-5)42-24-26-15-9-6-10-16-26)22-30-35(39)43-34(29-19-13-8-14-20-29)32(28-17-11-7-12-18-28)38(30)36(40)44-37(2,3)4/h6-21,23,30,32,34H,22,24H2,1-5H3/t30-,32-,34+/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CC=CC4)C)C)[C@H]([C@@H]([C@H](C)C(C)C)O)O
InChI: InChI=1S/C28H46O3/c1-16(2)17(3)25(30)26(31)18(4)20-10-11-21-19-15-24(29)23-9-7-8-13-27(23,5)22(19)12-14-28(20,21)6/h7-8,16-23,25-26,30-31H,9-15H2,1-6H3/t17-,18+,19+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H](C(C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)C(C(=O)O2)CNC(=O)CCC(=O)C4=CC(=C(C=C4)O)OC)C
InChI: InChI=1S/C44H66N2O14/c1-13-33-44(8)35(28(41(54)60-44)21-45-34(49)17-16-30(47)27-14-15-31(48)32(19-27)55-11)24(4)36(50)22(2)20-43(7,56-12)39(25(5)37(51)26(6)40(53)58-33)59-42-38(52)29(46(9)10)18-23(3)57-42/h14-15,19,22-26,28-29,33,35,38-39,42,48,52H,13,16-18,20-21H2,1-12H3,(H,45,49)/t22-,23-,24-,25?,26-,28?,29+,33-,35+,38-,39-,42+,43-,44-/m1/s1
SMILES: CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N4CC=C5[C@H](N4C3=O)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C7=C(C(=CC=C7)OC)O)C8=CC=C(C=C8)Cl)NC9=CC=C(C=C9)F)OC)OC
InChI: InChI=1S/C44H39ClFN7O9/c1-49-33-22-36(62-4)35(61-3)21-31(33)47-30(40(49)56)17-18-50-42(58)51-19-16-27-32(53(51)43(50)59)20-29-39(55)52(48-26-14-12-25(46)13-15-26)41(57)44(29,23-8-10-24(45)11-9-23)37(27)28-6-5-7-34(60-2)38(28)54/h5-16,21-22,29,32,37,48,54H,17-20H2,1-4H3/t29-,32+,37+,44+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)CSC2=NC3=CC=CC=C3S2
InChI: InChI=1S/C17H22N2OS2/c1-11-6-5-8-13(12(11)2)18-16(20)10-21-17-19-14-7-3-4-9-15(14)22-17/h3-4,7,9,11-13H,5-6,8,10H2,1-2H3,(H,18,20)/t11-,12+,13-/m1/s1
SMILES: C[C@]12CCC3C(C1C[C@H]([C@@H]2OS(=O)(=O)O)O)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C18H24O6S/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)24-25(21,22)23/h3,5,8,13-17,19-20H,2,4,6-7,9H2,1H3,(H,21,22,23)/t13?,14?,15?,16-,17+,18+/m1/s1
SMILES: C=CCN1C(=NN=C1SCC(=O)N2CC[C@H]3CCCC[C@@H]3C2)C4=CC=C(C=C4)F
InChI: InChI=1S/C22H27FN4OS/c1-2-12-27-21(17-7-9-19(23)10-8-17)24-25-22(27)29-15-20(28)26-13-11-16-5-3-4-6-18(16)14-26/h2,7-10,16,18H,1,3-6,11-15H2/t16-,18-/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H]2CC[C@H](C1=O)C[C@H]2C(=O)OC
InChI: InChI=1S/C14H21NO5/c1-14(2,3)20-13(18)15-10-6-5-8(11(15)16)7-9(10)12(17)19-4/h8-10H,5-7H2,1-4H3/t8-,9+,10+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)[C@H](C)NS(=O)(=O)C2=CC=C(C=C2)C(=O)C
InChI: InChI=1S/C20H28N2O6S/c1-13-6-4-5-7-18(13)21-19(24)12-28-20(25)14(2)22-29(26,27)17-10-8-16(9-11-17)15(3)23/h8-11,13-14,18,22H,4-7,12H2,1-3H3,(H,21,24)/t13-,14-,18+/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC=C(C=C6)OCCO)C)C7=CC=CC=C7
InChI: InChI=1S/C37H34N2O7/c1-21(41)22-8-12-25(13-9-22)38-33(42)28-17-16-27-29(31(28)35(38)44)20-30-34(43)39(24-6-4-3-5-7-24)36(45)37(30,2)32(27)23-10-14-26(15-11-23)46-19-18-40/h3-16,28-32,40H,17-20H2,1-2H3/t28-,29+,30-,31-,32-,37+/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)C(=CC(=O)[C@]6([C@H]5C7=CC(=C(C(=C7)I)O)OC)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C51H42INO8/c1-59-35-20-23-42(60-2)31(24-35)17-14-29-15-18-34(19-16-29)53-49(57)37-22-21-36-39(45(37)50(53)58)27-40-47(55)38(30-10-6-4-7-11-30)28-44(54)51(40,33-12-8-5-9-13-33)46(36)32-25-41(52)48(56)43(26-32)61-3/h4-21,23-26,28,37,39-40,45-46,56H,22,27H2,1-3H3/t37-,39+,40-,45-,46-,51-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N/N=C/2\CC[C@]3([C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CC[C@@H]5O)C)COC6CCCCO6
InChI: InChI=1S/C31H46N2O5S/c1-21-6-9-24(10-7-21)39(35,36)33-32-23-14-17-31(20-38-29-5-3-4-18-37-29)22(19-23)8-11-25-26-12-13-28(34)30(26,2)16-15-27(25)31/h6-7,9-10,22,25-29,33-34H,3-5,8,11-20H2,1-2H3/b32-23+/t22-,25-,26-,27-,28-,29?,30-,31+/m0/s1
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)O.C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N
InChI: InChI=1S/C18H34O2.C12H17NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b10-9+;3-2+,6-5+/t;10-,11-/m.1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNC(=O)CP(=O)(O)O)O)O)N
InChI: InChI=1S/C12H17N6O7P/c13-10-7-11(16-3-15-10)18(4-17-7)12-9(21)8(20)5(25-12)1-14-6(19)2-26(22,23)24/h3-5,8-9,12,20-21H,1-2H2,(H,14,19)(H2,13,15,16)(H2,22,23,24)/t5-,8-,9-,12-/m1/s1
SMILES: CCCCCC[C@@H]1[C@H]2[C@H]([C@@](CO1)([C@@H](C=C2C)C)COC(=O)NCCCC)C
InChI: InChI=1S/C23H41NO3/c1-6-8-10-11-12-20-21-17(3)14-18(4)23(15-26-20,19(21)5)16-27-22(25)24-13-9-7-2/h14,18-21H,6-13,15-16H2,1-5H3,(H,24,25)/t18-,19-,20-,21-,23-/m1/s1
SMILES: C[C@@]1(C2CN3[C@H]4CC2[C@H]([C@@H]3CC5=C4NC6=CC=CC=C56)CO1)O
InChI: InChI=1S/C19H22N2O2/c1-19(22)14-8-21-16-7-12-10-4-2-3-5-15(10)20-18(12)17(21)6-11(14)13(16)9-23-19/h2-5,11,13-14,16-17,20,22H,6-9H2,1H3/t11?,13-,14?,16+,17+,19-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=O)C4=C3C=C(C(=C4)O)C#N
InChI: InChI=1S/C19H19NO3/c1-19-5-4-11-12-6-10(9-20)16(21)8-14(12)17(22)7-13(11)15(19)2-3-18(19)23/h6,8,11,13,15,21H,2-5,7H2,1H3/t11-,13-,15+,19+/m1/s1
SMILES: C[C@H](C1=CC(=NC2=C1[C@@H](C[C@H]3[C@@H]2O3)Br)C(=O)OC)O
InChI: InChI=1S/C13H14BrNO4/c1-5(16)6-3-8(13(17)18-2)15-11-10(6)7(14)4-9-12(11)19-9/h3,5,7,9,12,16H,4H2,1-2H3/t5-,7-,9+,12+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OCC3=CC(=CC4=C3OCOC4)[N+](=O)[O-]
InChI: InChI=1S/C20H22N2O8/c23-17(5-6-21-19(24)15-3-1-2-4-16(15)20(21)25)29-10-13-8-14(22(26)27)7-12-9-28-11-30-18(12)13/h7-8,15-16H,1-6,9-11H2/t15-,16-/m1/s1
SMILES: CCN(CC)C(=O)C1=NN(N=C1C2=CC=C(C=C2)OC)[C@H]3C[C@H]4C(=O)N[C@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)O
InChI: InChI=1S/C37H51N7O8/c1-7-42(8-2)33(47)30-29(23-16-18-26(51-6)19-17-23)40-44(41-30)25-20-28-31(45)39-37(34(48)49)21-24(37)14-12-10-9-11-13-15-27(32(46)43(28)22-25)38-35(50)52-36(3,4)5/h12,14,16-19,24-25,27-28H,7-11,13,15,20-22H2,1-6H3,(H,38,50)(H,39,45)(H,48,49)/b14-12-/t24-,25+,27+,28+,37+/m1/s1
SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC=C(C=C2)C(=O)O[C@@H]3CC(=C[C@@H]4[C@H]3OC(O4)(C5CC5)C6CC6)C(=O)NCC7=CC(=CC=C7)C(=O)NCCO)C
InChI: InChI=1S/C40H44N2O11/c1-39(2)22-49-38(48)34(39)51-32(44)15-8-23-6-9-25(10-7-23)37(47)50-30-19-27(20-31-33(30)53-40(52-31,28-11-12-28)29-13-14-29)36(46)42-21-24-4-3-5-26(18-24)35(45)41-16-17-43/h3-10,15,18,20,28-31,33-34,43H,11-14,16-17,19,21-22H2,1-2H3,(H,41,45)(H,42,46)/t30-,31-,33+,34+/m1/s1
SMILES: CC(C)C1=NC2=CC=CC=C2N1CC3=NC(=CS3)C(=O)N[C@H]4C[C@@]5(CCCO5)C[C@H]4C(=O)NO
InChI: InChI=1S/C24H29N5O4S/c1-14(2)21-26-16-6-3-4-7-19(16)29(21)12-20-25-18(13-34-20)23(31)27-17-11-24(8-5-9-33-24)10-15(17)22(30)28-32/h3-4,6-7,13-15,17,32H,5,8-12H2,1-2H3,(H,27,31)(H,28,30)/t15-,17+,24-/m1/s1
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=C4)OC5CCCC5)C)C)O
InChI: InChI=1S/C26H38O3/c1-17(27)26(28)15-12-23-21-9-8-18-16-20(29-19-6-4-5-7-19)10-13-24(18,2)22(21)11-14-25(23,26)3/h8,16,19,21-23,28H,4-7,9-15H2,1-3H3/t21-,22+,23+,24+,25+,26+/m1/s1
SMILES: CCCCCCCCCCCCC[C@H]([C@H](C(=O)OCC)N=C1C[C@H]2C[C@@H]([C@@]1(C)O)C2(C)C)O
InChI: InChI=1S/C28H51NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-22(30)25(26(31)33-7-2)29-24-20-21-19-23(27(21,3)4)28(24,5)32/h21-23,25,30,32H,6-20H2,1-5H3/t21-,22-,23-,25-,28-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2CC(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N
InChI: InChI=1S/C18H19ClN2O3/c19-15-4-3-13(9-20)16(8-15)21-17(22)10-24-18(23)7-14-6-11-1-2-12(14)5-11/h3-4,8,11-12,14H,1-2,5-7,10H2,(H,21,22)/t11-,12+,14-/m0/s1
SMILES: C=CCC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)CC8=CC=CS8)O
InChI: InChI=1S/C40H33ClN2O5S/c1-2-9-23-10-6-16-30(35(23)44)34-28-17-18-29-33(38(47)42(36(29)45)22-27-15-8-19-49-27)31(28)21-32-37(46)43(26-14-7-13-25(41)20-26)39(48)40(32,34)24-11-4-3-5-12-24/h2-8,10-17,19-20,29,31-34,44H,1,9,18,21-22H2/t29-,31+,32-,33-,34+,40+/m0/s1
SMILES: CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O
InChI: InChI=1S/C17H20N2O5/c1-10(20)18-11-7-8-15(24-2)14(9-11)19-16(21)12-5-3-4-6-13(12)17(22)23/h3-4,7-9,12-13H,5-6H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/t12-,13-/m0/s1
SMILES: CN1C=C(C2=CC=CC=C21)/C=N/NC(=O)[C@@H]3[C@@H](CNC3=O)C4=CC=CC=C4
InChI: InChI=1S/C21H20N4O2/c1-25-13-15(16-9-5-6-10-18(16)25)11-23-24-21(27)19-17(12-22-20(19)26)14-7-3-2-4-8-14/h2-11,13,17,19H,12H2,1H3,(H,22,26)(H,24,27)/b23-11+/t17-,19+/m0/s1
SMILES: CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=S)N[C@@H]2CCCC[C@H]2C)N
InChI: InChI=1S/C20H35N5O2S/c1-5-6-11-24-17(21)16(18(26)23-19(24)27)25(12-13(2)3)20(28)22-15-10-8-7-9-14(15)4/h13-15H,5-12,21H2,1-4H3,(H,22,28)(H,23,26,27)/t14-,15-/m1/s1
SMILES: CC[C@@H](CC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
InChI: InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25?,26+,27+,28+,29-/m1/s1
SMILES: C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)NCC(=O)NCCCCCCN)O)O)O)[O-])C(=O)N
InChI: InChI=1S/C29H43N9O15P2/c30-7-3-1-2-4-8-32-19(39)10-33-26-20-27(35-14-34-26)38(15-36-20)29-24(43)22(41)18(52-29)13-50-55(47,48)53-54(45,46)49-12-17-21(40)23(42)28(51-17)37-9-5-6-16(11-37)25(31)44/h5-6,9,11,14-15,17-18,21-24,28-29,40-41,43H,1-4,7-8,10,12-13,30H2,(H2,31,44)(H,32,39)(H,45,46)(H,47,48)(H,33,34,35)/t17-,18-,21-,22-,23-,24-,28-,29-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C34H38N2O14/c1-17(37)45-16-27-29(47-18(2)38)30(48-19(3)39)31(49-20(4)40)32(50-27)36-28(41)14-13-26(33(42)43)35-34(44)46-15-25-23-11-7-5-9-21(23)22-10-6-8-12-24(22)25/h5-12,25-27,29-32H,13-16H2,1-4H3,(H,35,44)(H,36,41)(H,42,43)/t26-,27+,29+,30-,31+,32+/m0/s1
SMILES: CC[C@@H]1CC[C@H](N1C(=O)[C@H]2[C@@H]([C@H](C=C(O2)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OC(C)(C)C)NC(=O)C)CC
InChI: InChI=1S/C35H45N3O7/c1-7-25-19-20-26(8-2)38(25)32(40)31-29(36-22(3)39)27(37-34(42)45-35(4,5)6)21-28(43-31)33(41)44-30(23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,21,25-27,29-31H,7-8,19-20H2,1-6H3,(H,36,39)(H,37,42)/t25-,26-,27+,29-,31-/m1/s1
SMILES: CCOC1=CC2=C(C(=C1)[N+](=O)[O-])N[C@H]([C@@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C20H19N3O5/c1-2-28-14-10-17-15-4-3-5-16(15)19(21-20(17)18(11-14)23(26)27)12-6-8-13(9-7-12)22(24)25/h3-4,6-11,15-16,19,21H,2,5H2,1H3/t15-,16-,19-/m0/s1
SMILES: CC[C@H](C)COC(=O)C1=CC=C(C=C1)C(=O)C2[C@@H]([C@H]2C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C28H28O3/c1-3-19(2)18-31-28(30)23-16-14-22(15-17-23)27(29)26-24(20-10-6-4-7-11-20)25(26)21-12-8-5-9-13-21/h4-17,19,24-26H,3,18H2,1-2H3/t19-,24+,25+/m0/s1
SMILES: CC(C)C(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)C#N)O
InChI: InChI=1S/C18H30N4O4Si/c1-11(2)18(3,4)27(5,6)25-10-13-15(23)12(9-19)16(26-13)22-8-7-14(20)21-17(22)24/h7-8,11-13,15-16,23H,10H2,1-6H3,(H2,20,21,24)/t12-,13+,15-,16+/m0/s1
SMILES: C[C@@]12[C@@H](C([C@@]([C@@H](O1)C3=CC=C(C=C3)OC)(C(=N)O2)C#N)(C#N)C#N)C4=CC=CC=C4
InChI: InChI=1S/C23H18N4O3/c1-21-18(15-6-4-3-5-7-15)22(12-24,13-25)23(14-26,20(27)30-21)19(29-21)16-8-10-17(28-2)11-9-16/h3-11,18-19,27H,1-2H3/t18-,19-,21+,23-/m0/s1
SMILES: CC[C@@H]1[C@@]2(C([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)CC3C[C@H](C[C@H](O3)C)N(C)C)(C)OCC#CC4=CC=C(S4)C5=CC(=CC=C5)NC(=O)C)C)C)NC(=O)O2)C
InChI: InChI=1S/C46H63N3O9S/c1-12-39-46(9)42(48-44(54)58-46)29(5)40(51)26(2)25-45(8,55-20-14-17-36-18-19-38(59-36)32-15-13-16-33(22-32)47-31(7)50)37(28(4)41(52)30(6)43(53)57-39)24-35-23-34(49(10)11)21-27(3)56-35/h13,15-16,18-19,22,26-30,34-35,37,39,42H,12,20-21,23-25H2,1-11H3,(H,47,50)(H,48,54)/t26-,27-,28-,29+,30-,34+,35?,37-,39-,42?,45+,46-/m1/s1
SMILES: C=C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C19H21F6N3O/c1-2-11-10-28-4-3-12(11)5-16(28)9-26-17(29)27-15-7-13(18(20,21)22)6-14(8-15)19(23,24)25/h2,6-8,11-12,16H,1,3-5,9-10H2,(H2,26,27,29)/t11-,12-,16-/m0/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)NC45CC6CC(C4)CC(C6)C5)CN(CC7=CC=CC=C7)CC8=CC=CC=C8
InChI: InChI=1S/C45H53N3O4/c1-31-41(29-48(27-33-8-4-2-5-9-33)28-34-10-6-3-7-11-34)51-43(52-42(31)39-16-14-35(30-49)15-17-39)40-18-12-32(13-19-40)26-46-44(50)47-45-23-36-20-37(24-45)22-38(21-36)25-45/h2-19,31,36-38,41-43,49H,20-30H2,1H3,(H2,46,47,50)/t31-,36?,37?,38?,41+,42+,43+,45?/m1/s1
SMILES: C1=CC=C(C=C1)CCCNC2=C3C(=NC=N2)N(C=N3)C4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C19H23N5O4/c25-9-13-15(26)16(27)19(28-13)24-11-23-14-17(21-10-22-18(14)24)20-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10-11,13,15-16,19,25-27H,4,7-9H2,(H,20,21,22)/t13-,15-,16-,19?/m1/s1
SMILES: C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)CC4=CC=CC=C4
InChI: InChI=1S/C23H20O7/c24-15-10-18(26)16-12-21(29-22(28)8-13-4-2-1-3-5-13)23(30-20(16)11-15)14-6-7-17(25)19(27)9-14/h1-7,9-11,21,23-27H,8,12H2/t21-,23+/m0/s1