EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC2=CC=CC=C2)OC(=O)C3=CN(C4=C3C(=CC=C4)OCC5=CC=CC=C5)CC6=CC=CC=C6)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C54H77NO8Si3/c1-52(2,3)64(10,11)59-38-45-47(62-65(12,13)53(4,5)6)48(63-66(14,15)54(7,8)9)49(51(60-45)58-37-41-30-23-18-24-31-41)61-50(56)42-35-55(34-39-26-19-16-20-27-39)43-32-25-33-44(46(42)43)57-36-40-28-21-17-22-29-40/h16-33,35,45,47-49,51H,34,36-38H2,1-15H3/t45-,47-,48+,49-,51-/m1/s1
SMILES: C=COC(=O)OC[C@@H]1[C@@H]2[C@@H](O2)[C@@H](O1)N3C=NC4=C(N=CN=C43)N
InChI: InChI=1S/C13H13N5O5/c1-2-20-13(19)21-3-6-8-9(23-8)12(22-6)18-5-17-7-10(14)15-4-16-11(7)18/h2,4-6,8-9,12H,1,3H2,(H2,14,15,16)/t6-,8-,9-,12-/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)OCC6=CC=CC(=N6)C)OCC=C)CCCCO)CCCCO)C(=O)CC7=CC(=CC=C7)OC
InChI: InChI=1S/C53H64N4O10/c1-5-25-56(50(60)30-38-14-12-17-42(29-38)63-4)49-33-47(55-66-34-37-19-21-41(22-20-37)57(61)62)45-31-39(15-7-9-26-58)44(18-8-10-27-59)51-46-32-43(64-35-40-16-11-13-36(3)54-40)23-24-48(46)67-53(49,52(45)51)65-28-6-2/h6,11-14,16-17,19-24,29,31-32,39,44,49,51-52,58-59H,2,5,7-10,15,18,25-28,30,33-35H2,1,3-4H3/t39-,44+,49-,51+,52+,53+/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)NC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)OC)CN5CCN(CC5)C6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C40H45N5O8/c1-27-36(25-43-20-22-44(23-21-43)33-16-18-34(19-17-33)45(49)50)52-39(53-37(27)30-10-8-29(26-46)9-11-30)31-12-14-32(15-13-31)41-40(48)42-35(38(47)51-2)24-28-6-4-3-5-7-28/h3-19,27,35-37,39,46H,20-26H2,1-2H3,(H2,41,42,48)/t27-,35+,36+,37+,39+/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C=CC5=CC(=C(C=C5)O)OC)C(=O)N(C4=O)C6CCN(CC6)CC7=CC=CC=C7)Cl
InChI: InChI=1S/C36H37Cl2N3O6/c1-39-33(45)35(37)19-26-24(27(36(35,38)34(39)46)12-8-21-9-13-28(42)29(18-21)47-2)10-11-25-30(26)32(44)41(31(25)43)23-14-16-40(17-15-23)20-22-6-4-3-5-7-22/h3-10,12-13,18,23,25-27,30,42H,11,14-17,19-20H2,1-2H3/t25-,26+,27-,30-,35+,36-/m0/s1
SMILES: CCCOC(=O)[C@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)CC4=CC=C(C=C4)C)O2
InChI: InChI=1S/C20H23NO4/c1-3-10-24-19(23)16-15-8-9-20(25-15)12-21(18(22)17(16)20)11-14-6-4-13(2)5-7-14/h4-9,15-17H,3,10-12H2,1-2H3/t15-,16+,17+,20-/m1/s1
SMILES: CCCN(C[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(CCC(C5)O)C)C=C4C(=O)C6=CC(=C(C=C6)F)F)C)O)C(=O)OCC
InChI: InChI=1S/C35H45F2NO5/c1-5-17-38(30(41)43-6-2)21-34(42)14-11-28-32(34,4)13-10-27-31(3)12-9-23(39)19-33(31)15-16-35(27,28)24(20-33)29(40)22-7-8-25(36)26(37)18-22/h7-8,15-16,18,20,23,27-28,39,42H,5-6,9-14,17,19,21H2,1-4H3/t23?,27-,28-,31-,32+,33+,34-,35-/m1/s1
SMILES: COC(=O)[C@H]1[C@@H](CC2[C@@H](C1[C@H](C(=C2C(=O)OC)OC(=O)/C=C/C3=CC=C(C=C3)Cl)C(=O)OC)C(=O)OC)C4=CC=CC=C4
InChI: InChI=1S/C32H31ClO10/c1-39-29(35)23-20(18-8-6-5-7-9-18)16-21-24(30(36)40-2)26(23)27(32(38)42-4)28(25(21)31(37)41-3)43-22(34)15-12-17-10-13-19(33)14-11-17/h5-15,20-21,23-24,26-27H,16H2,1-4H3/b15-12+/t20-,21?,23-,24-,26?,27+/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)O)N=[N+]=[N-])OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C27H29N3O5/c28-30-29-24-26(34-18-22-14-8-3-9-15-22)25(33-17-21-12-6-2-7-13-21)23(35-27(24)31)19-32-16-20-10-4-1-5-11-20/h1-15,23-27,31H,16-19H2/t23-,24-,25+,26-,27?/m1/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)C8CCN(CC8)CC9=CC=CC=C9)O
InChI: InChI=1S/C47H44ClN3O5/c1-2-11-30-14-9-19-37(42(30)52)41-35-20-21-36-40(45(55)50(43(36)53)33-22-24-49(25-23-33)28-29-12-5-3-6-13-29)38(35)27-39-44(54)51(34-18-10-17-32(48)26-34)46(56)47(39,41)31-15-7-4-8-16-31/h2-10,12-20,26,33,36,38-41,52H,1,11,21-25,27-28H2/t36-,38+,39-,40-,41+,47+/m0/s1
SMILES: C[C@@]1([C@@H]2[C@H]([C@H](N1)C(=O)OC)C(=O)N(C2=O)C3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C17H18N2O6/c1-17(16(23)25-3)11-10(12(18-17)15(22)24-2)13(20)19(14(11)21)9-7-5-4-6-8-9/h4-8,10-12,18H,1-3H3/t10-,11-,12+,17-/m1/s1
SMILES: C1=CC=C(C(=C1)[C@@]23C4=C(C=CC(=C4)Br)N[C@@]2(C5=C(N3)C=CC(=C5)Br)C6=CC=CC=C6Cl)Cl
InChI: InChI=1S/C26H16Br2Cl2N2/c27-15-9-11-23-19(13-15)25(17-5-1-3-7-21(17)29)26(32-23,18-6-2-4-8-22(18)30)20-14-16(28)10-12-24(20)31-25/h1-14,31-32H/t25-,26-/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]([C@@H]2C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O
InChI: InChI=1S/C16H14F3NO3/c17-16(18,19)10-2-1-3-11(7-10)20-14(21)12-8-4-5-9(6-8)13(12)15(22)23/h1-5,7-9,12-13H,6H2,(H,20,21)(H,22,23)/t8-,9+,12+,13+/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)N4C(=O)[C@@H]5CCCC[C@H]5C4=O
InChI: InChI=1S/C23H31NO5/c1-13(24-20(26)17-4-2-3-5-18(17)21(24)27)22(28)29-12-19(25)23-9-14-6-15(10-23)8-16(7-14)11-23/h13-18H,2-12H2,1H3/t13-,14?,15?,16?,17+,18+,23?/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=CC(=C(C=C1)OC)OC)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H24N2O7/c1-12(23-19(25)14-6-4-5-7-15(14)20(23)26)21(27)30-11-18(24)22-13-8-9-16(28-2)17(10-13)29-3/h4-5,8-10,12,14-15H,6-7,11H2,1-3H3,(H,22,24)/t12-,14-,15+/m0/s1
SMILES: C[C@]12[C@H]3C[C@@H]([C@@H]1C(=O)N(C2=O)NC(=O)C4=CC=NC=C4)C=C3
InChI: InChI=1S/C16H15N3O3/c1-16-11-3-2-10(8-11)12(16)14(21)19(15(16)22)18-13(20)9-4-6-17-7-5-9/h2-7,10-12H,8H2,1H3,(H,18,20)/t10-,11+,12+,16-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@H](C1)OC(=O)CCl)C(C)(C)C2=CC=CC=C2
InChI: InChI=1S/C18H25ClO2/c1-13-9-10-15(16(11-13)21-17(20)12-19)18(2,3)14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3/t13-,15-,16+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC1=C2C3=C(CC4[C@]5([C@]3(CCN4C)[C@@H](O2)C(=O)CC5)N)C=C1
InChI: InChI=1S/C23H34N2O3Si/c1-21(2,3)29(5,6)28-16-8-7-14-13-17-23(24)10-9-15(26)20-22(23,11-12-25(17)4)18(14)19(16)27-20/h7-8,17,20H,9-13,24H2,1-6H3/t17?,20-,22-,23+/m0/s1
SMILES: C[C@H]1[C@H]2C(C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C)OC1CCC(C)C6SCCS6
InChI: InChI=1S/C31H48O3S2/c1-18(29-35-14-15-36-29)6-9-26-19(2)28-27(34-26)17-25-23-8-7-21-16-22(33-20(3)32)10-12-30(21,4)24(23)11-13-31(25,28)5/h7,18-19,22-29H,6,8-17H2,1-5H3/t18?,19-,22+,23-,24+,25+,26?,27?,28+,30+,31+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)C)C
InChI: InChI=1S/C21H32N2O5S/c1-13-9-10-18(11-15(13)3)29(26,27)22-12-20(24)28-17(5)21(25)23-19-8-6-7-14(2)16(19)4/h9-11,14,16-17,19,22H,6-8,12H2,1-5H3,(H,23,25)/t14-,16-,17+,19-/m0/s1
SMILES: C[C@H]1C[C@H]1C(=O)OCC(=O)NC2=NC3=C(C=C(C=C3S2)C)C
InChI: InChI=1S/C16H18N2O3S/c1-8-4-10(3)14-12(5-8)22-16(18-14)17-13(19)7-21-15(20)11-6-9(11)2/h4-5,9,11H,6-7H2,1-3H3,(H,17,18,19)/t9-,11+/m0/s1
SMILES: COC1=CC=CC(=C1)N2CC/C(=C\C3=C(N4[C@@H]([C@@H](C4=O)N)SC3)C(=O)O)/C2=O
InChI: InChI=1S/C19H19N3O5S/c1-27-13-4-2-3-12(8-13)21-6-5-10(16(21)23)7-11-9-28-18-14(20)17(24)22(18)15(11)19(25)26/h2-4,7-8,14,18H,5-6,9,20H2,1H3,(H,25,26)/b10-7+/t14-,18-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=CC=C3)C(=O)CC4=CC(=C(C=C4)OC)OC)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC(=C(C=C6)F)F)C
InChI: InChI=1S/C46H51F2NO6/c1-30-9-8-21-45(2)38(36-17-13-32(23-35(50)16-12-30)24-37(36)44(52)34-15-18-39(47)40(48)27-34)20-22-46(45,53)29-49(28-31-10-6-5-7-11-31)43(51)26-33-14-19-41(54-3)42(25-33)55-4/h5-7,9-11,13-15,17-19,24-25,27,35,38,50,53H,8,12,16,20-23,26,28-29H2,1-4H3/t35-,38-,45-,46+/m0/s1
SMILES: CCOC1=C(C=C2C(=C1)[C@H]3CN(CC[C@H]3N=C2C4=CC=C(C=C4)C(=O)NCCCOC(C)C)C)OC
InChI: InChI=1S/C29H39N3O4/c1-6-35-27-16-22-23(17-26(27)34-5)28(31-25-12-14-32(4)18-24(22)25)20-8-10-21(11-9-20)29(33)30-13-7-15-36-19(2)3/h8-11,16-17,19,24-25H,6-7,12-15,18H2,1-5H3,(H,30,33)/t24-,25-/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)[C@H](C[C@@H](CN2CCN(C[C@H]2C(=O)NC(C)(C)C)CC3=CN=CC=C3)O)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O
InChI: InChI=1S/C37H49N5O4/c1-25(27-12-6-5-7-13-27)31(35(45)39-34-30-15-9-8-14-28(30)19-33(34)44)20-29(43)23-42-18-17-41(22-26-11-10-16-38-21-26)24-32(42)36(46)40-37(2,3)4/h5-16,21,25,29,31-34,43-44H,17-20,22-24H2,1-4H3,(H,39,45)(H,40,46)/t25-,29+,31+,32+,33-,34+/m1/s1
SMILES: C[C@H]1O[C@H]2C[C@@H]([C@@]3([C@@H]([C@]2(O1)COC(=O)C)[C@@H]([C@@]4(C[C@@H](C(=C(C4(C)C)[C@H](C3=O)OC(=O)C)C)O)O)OC(=O)C5=CC=CC=C5)C)OC(=O)C
InChI: InChI=1S/C35H44O13/c1-17-23(39)15-35(42)30(47-31(41)22-12-10-9-11-13-22)28-33(8,29(40)27(45-20(4)38)26(17)32(35,6)7)24(44-19(3)37)14-25-34(28,16-43-18(2)36)48-21(5)46-25/h9-13,21,23-25,27-28,30,39,42H,14-16H2,1-8H3/t21-,23-,24-,25-,27+,28-,30-,33+,34-,35+/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OCCO[C@H]5CC[C@@]6([C@H]7CC[C@]8([C@H]([C@@H]7CC=C6C5)CC[C@@H]8OC(=O)C)C)C)C)C
InChI: InChI=1S/C44H66O6/c1-27(45)49-39-13-11-35-33-9-7-29-25-31(15-19-41(29,3)37(33)17-21-43(35,39)5)47-23-24-48-32-16-20-42(4)30(26-32)8-10-34-36-12-14-40(50-28(2)46)44(36,6)22-18-38(34)42/h7-8,31-40H,9-26H2,1-6H3/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=C\3/C(=O)N(C(=S)S3)[C@@H](CCSC)C(=O)[O-]
InChI: InChI=1S/C17H19NO4S3/c1-9-7-11(9)13-4-3-10(22-13)8-14-15(19)18(17(23)25-14)12(16(20)21)5-6-24-2/h3-4,8-9,11-12H,5-7H2,1-2H3,(H,20,21)/p-1/b14-8-/t9-,11+,12+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC3=NC(=NO3)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C19H18ClN3O5/c20-12-5-3-4-11(8-12)17-21-15(28-22-17)10-27-16(24)9-23-18(25)13-6-1-2-7-14(13)19(23)26/h3-5,8,13-14H,1-2,6-7,9-10H2/t13-,14-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)O)O)O
InChI: InChI=1S/C12H22O9/c1-3-5(13)7(15)9(17)11(19-3)21-12-10(18)8(16)6(14)4(2)20-12/h3-18H,1-2H3/t3-,4-,5-,6-,7+,8+,9+,10+,11-,12-/m0/s1
SMILES: C[C@H](CCC(=C)C(C)C)[C@H]1CCC2[C@@]1(C[C@H](C3C2C[C@H]([C@@]4([C@@]3(C(=O)[C@@H](C=C4)O)C)O)O)O)C
InChI: InChI=1S/C28H44O5/c1-15(2)16(3)7-8-17(4)19-9-10-20-18-13-23(31)28(33)12-11-21(29)25(32)27(28,6)24(18)22(30)14-26(19,20)5/h11-12,15,17-24,29-31,33H,3,7-10,13-14H2,1-2,4-6H3/t17-,18?,19-,20?,21-,22-,23-,24?,26-,27+,28+/m1/s1
SMILES: CC(C)(C)N1C(=O)[C@H]2[C@@H]3C=CC4=CC=CC=C4N3[C@@H]([C@@H]2C1=O)C(=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C25H23FN2O3/c1-25(2,3)28-23(30)19-18-13-10-14-6-4-5-7-17(14)27(18)21(20(19)24(28)31)22(29)15-8-11-16(26)12-9-15/h4-13,18-21H,1-3H3/t18-,19-,20+,21-/m0/s1
SMILES: CCCCCCCCCCCCCC[C@@H]1[C@@H](OC(O1)(C)C)[C@@H](C2=[N+](C=CS2)C)OCC3=CC=C(C=C3)OC.[I-]
InChI: InChI=1S/C32H52NO4S.HI/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-28-29(37-32(2,3)36-28)30(31-33(4)23-24-38-31)35-25-26-19-21-27(34-5)22-20-26;/h19-24,28-30H,6-18,25H2,1-5H3;1H/q+1;/p-1/t28-,29-,30+;/m1./s1
SMILES: CCCN(C[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(CCC(C5)O)C)C=C4C(=O)C6=CC=C(S6)C)C)O)C(=O)CC7=CC(=C(C=C7)OC)OC
InChI: InChI=1S/C41H53NO6S/c1-7-20-42(35(44)22-27-9-10-30(47-5)31(21-27)48-6)25-40(46)17-14-34-38(40,4)16-13-33-37(3)15-12-28(43)23-39(37)18-19-41(33,34)29(24-39)36(45)32-11-8-26(2)49-32/h8-11,18-19,21,24,28,33-34,43,46H,7,12-17,20,22-23,25H2,1-6H3/t28?,33-,34-,37-,38+,39+,40-,41-/m1/s1
SMILES: C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=C2)C(F)(F)F)C3=C(C=C(C=C3)F)Cl)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C26H16ClF10NO2/c1-12-22(13-6-16(25(32,33)34)9-17(7-13)26(35,36)37)40-23(39)38(12)11-14-8-15(24(29,30)31)2-4-19(14)20-5-3-18(28)10-21(20)27/h2-10,12,22H,11H2,1H3/t12-,22-/m0/s1
SMILES: CCOC1=CC=C(C=C1)[C@@H]2[C@@H](C(=C)NC(=S)N2)C(=O)NC3=CC=CC=C3Cl
InChI: InChI=1S/C20H20ClN3O2S/c1-3-26-14-10-8-13(9-11-14)18-17(12(2)22-20(27)24-18)19(25)23-16-7-5-4-6-15(16)21/h4-11,17-18H,2-3H2,1H3,(H,23,25)(H2,22,24,27)/t17-,18-/m1/s1
SMILES: C1C[C@H]2[C@@H](C[C@@H]1N2)NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4C(=O)N
InChI: InChI=1S/C20H21N3O3/c21-19(24)15-3-1-2-4-18(15)26-14-8-5-12(6-9-14)20(25)23-17-11-13-7-10-16(17)22-13/h1-6,8-9,13,16-17,22H,7,10-11H2,(H2,21,24)(H,23,25)/t13-,16+,17-/m1/s1
SMILES: COC1=CC=CC=C1N2[C@@H]3CS(=O)(=O)C[C@@H]3N(C2=O)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C18H17ClN2O4S/c1-25-17-8-3-2-7-14(17)21-16-11-26(23,24)10-15(16)20(18(21)22)13-6-4-5-12(19)9-13/h2-9,15-16H,10-11H2,1H3/t15-,16+/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=CC=C(C=C7)O)C8=CC=C(C=C8)Cl)NC9=CC=C(C=C9)F
InChI: InChI=1S/C48H39ClFN3O7/c1-59-36-21-24-41(60-2)29(25-36)6-3-27-4-17-34(18-5-27)52-44(55)38-23-22-37-39(42(38)46(52)57)26-40-45(56)53(51-33-15-13-32(50)14-16-33)47(58)48(40,30-9-11-31(49)12-10-30)43(37)28-7-19-35(54)20-8-28/h3-22,24-25,38-40,42-43,51,54H,23,26H2,1-2H3/t38-,39+,40-,42-,43-,48+/m0/s1
SMILES: CCCCCCCCN(CCCCCCCC)C[C@@H]1[C@@H]([C@@H](O[C@@H](O1)C2=CC=CC(=C2)C3=CC=CC(=C3)CNC(=O)C)C4=CC=C(C=C4)CO)C
InChI: InChI=1S/C44H64N2O4/c1-5-7-9-11-13-15-27-46(28-16-14-12-10-8-6-2)32-42-34(3)43(38-25-23-36(33-47)24-26-38)50-44(49-42)41-22-18-21-40(30-41)39-20-17-19-37(29-39)31-45-35(4)48/h17-26,29-30,34,42-44,47H,5-16,27-28,31-33H2,1-4H3,(H,45,48)/t34-,42+,43+,44+/m0/s1
SMILES: C/C(=N/NC(=O)C1=CN=CC=C1)/C2=CC3=C(C=C2)N[C@@H]([C@H]4[C@H]3C=CC4)C5=CC=CC=C5
InChI: InChI=1S/C26H24N4O/c1-17(29-30-26(31)20-9-6-14-27-16-20)19-12-13-24-23(15-19)21-10-5-11-22(21)25(28-24)18-7-3-2-4-8-18/h2-10,12-16,21-22,25,28H,11H2,1H3,(H,30,31)/b29-17-/t21-,22-,25-/m1/s1
SMILES: CN1[C@H]2[C@@]1(CCN3[C@@H]2[C@H](C3=O)OC4=CC=CC=C4)C=O
InChI: InChI=1S/C15H16N2O3/c1-16-13-11-12(20-10-5-3-2-4-6-10)14(19)17(11)8-7-15(13,16)9-18/h2-6,9,11-13H,7-8H2,1H3/t11-,12-,13-,15-,16?/m1/s1
SMILES: COC1=CC(=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)O)Br
InChI: InChI=1S/C27H20BrCl2FN2O7/c1-40-18-9-11(28)8-16(21(18)34)20-14-6-7-15-19(23(36)33(39)22(15)35)17(14)10-26(29)24(37)32(25(38)27(20,26)30)13-4-2-12(31)3-5-13/h2-6,8-9,15,17,19-20,34,39H,7,10H2,1H3/t15-,17+,19-,20+,26+,27-/m0/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OCCOC(=O)C2=C(C=CC3=C2C=C(C=C3C)OC)O)NC)O)O
InChI: InChI=1S/C22H29NO8/c1-11-9-13(28-4)10-15-14(11)5-6-16(24)17(15)21(27)29-7-8-30-22-18(23-3)20(26)19(25)12(2)31-22/h5-6,9-10,12,18-20,22-26H,7-8H2,1-4H3/t12-,18-,19+,20-,22+/m1/s1
SMILES: CC1C(C(C(C(O1)OC2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CCC5C=C)C)C)OC(=O)C)O)O
InChI: InChI=1S/C29H44O6/c1-6-18-8-10-22-21-9-7-19-15-20(11-13-29(19,5)23(21)12-14-28(18,22)4)35-27-26(34-17(3)30)25(32)24(31)16(2)33-27/h6-7,16,18,20-27,31-32H,1,8-15H2,2-5H3/t16?,18?,20?,21-,22-,23-,24?,25?,26?,27?,28+,29-/m0/s1
SMILES: CS(=O)(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C18H23NO5S/c1-25(22,23)19-16-6-4-13(5-7-16)17(20)11-24-18(21)10-15-9-12-2-3-14(15)8-12/h4-7,12,14-15,19H,2-3,8-11H2,1H3/t12-,14+,15+/m0/s1
SMILES: CCC1=CC=CC(=C1NC(=O)CN2C(=O)[C@]3(CCCC[C@@H]3C)NC2=O)C
InChI: InChI=1S/C20H27N3O3/c1-4-15-10-7-8-13(2)17(15)21-16(24)12-23-18(25)20(22-19(23)26)11-6-5-9-14(20)3/h7-8,10,14H,4-6,9,11-12H2,1-3H3,(H,21,24)(H,22,26)/t14-,20+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4
InChI: InChI=1S/C22H28N4OS/c1-13-6-5-9-18(14(13)2)24-22(28)26-25-21(27)17-12-20(15-10-11-15)23-19-8-4-3-7-16(17)19/h3-4,7-8,12-15,18H,5-6,9-11H2,1-2H3,(H,25,27)(H2,24,26,28)/t13-,14-,18-/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)Cl)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H21ClN2O5/c1-11(22-17(24)14-4-2-3-5-15(14)18(22)25)19(26)27-10-16(23)21-13-8-6-12(20)7-9-13/h6-9,11,14-15H,2-5,10H2,1H3,(H,21,23)/t11-,14-,15+/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N
InChI: InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10-,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1
SMILES: CC[C@@H]1[C@@]2(C3C(C(=O)O2)NCC3(C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC)C)C)C
InChI: InChI=1S/C33H53FN2O10/c1-12-20-33(8)23-21(27(40)46-33)35-15-30(23,5)24(38)16(2)14-31(6,42-11)26(18(4)25(39)32(7,34)29(41)44-20)45-28-22(37)19(36(9)10)13-17(3)43-28/h16-23,26,28,35,37H,12-15H2,1-11H3/t16-,17-,18+,19+,20-,21?,22-,23?,26-,28+,30?,31+,32+,33-/m1/s1
SMILES: CC(=O)C1=CC2=CC3=C(CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CC[C@@H]5O)C)C=C2O1
InChI: InChI=1S/C22H26O3/c1-12(23)19-11-14-9-17-13(10-20(14)25-19)3-4-16-15(17)7-8-22(2)18(16)5-6-21(22)24/h9-11,15-16,18,21,24H,3-8H2,1-2H3/t15-,16+,18-,21-,22-/m0/s1
SMILES: CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@@H](O6)OC)O)OC)O)OC)OC)O)COC
InChI: InChI=1S/C26H43NO9/c1-7-27-11-23(12-31-2)14(28)8-15(32-3)26-13-9-25(30)16(33-4)10-24(29,17(13)22(35-6)36-25)18(21(26)27)19(34-5)20(23)26/h13-22,28-30H,7-12H2,1-6H3/t13-,14-,15+,16+,17-,18+,19+,20-,21?,22-,23+,24-,25-,26+/m1/s1
SMILES: CCOC(=O)[C@@]1(C[C@@H]2[C@H](C1)ON=C2C(=O)O)NC(=O)OC(C)(C)C
InChI: InChI=1S/C15H22N2O7/c1-5-22-12(20)15(16-13(21)23-14(2,3)4)6-8-9(7-15)24-17-10(8)11(18)19/h8-9H,5-7H2,1-4H3,(H,16,21)(H,18,19)/t8-,9+,15+/m1/s1
SMILES: CC1=CC=CC=C1N2[C@@H]([C@@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC
InChI: InChI=1S/C25H22N2O4/c1-16-8-6-7-11-20(16)27-22(17-12-14-19(30-2)15-13-17)21-23(31-27)25(29)26(24(21)28)18-9-4-3-5-10-18/h3-15,21-23H,1-2H3/t21-,22-,23-/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CN)CN4CCC(CC4)(C5=CC=C(C=C5)Cl)O
InChI: InChI=1S/C31H37ClN2O4/c1-21-28(19-34-16-14-31(36,15-17-34)26-10-12-27(32)13-11-26)37-30(25-8-2-22(18-33)3-9-25)38-29(21)24-6-4-23(20-35)5-7-24/h2-13,21,28-30,35-36H,14-20,33H2,1H3/t21-,28+,29+,30?/m0/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C=C(C(=O)[C@]5([C@H]4C6=CC=CC(=C6O)CC=C)C)C
InChI: InChI=1S/C35H35NO5/c1-5-8-21-9-7-10-25(31(21)38)30-23-15-16-24-29(26(23)18-27-28(37)17-19(3)32(39)35(27,30)4)34(41)36(33(24)40)22-13-11-20(6-2)12-14-22/h5,7,9-15,17,24,26-27,29-30,38H,1,6,8,16,18H2,2-4H3/t24-,26+,27-,29-,30+,35+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2C(=O)[C@@](NC2=O)(C)CC3=CC=CC=C3OC
InChI: InChI=1S/C21H29N3O4/c1-14-8-4-6-10-16(14)22-18(25)13-24-19(26)21(2,23-20(24)27)12-15-9-5-7-11-17(15)28-3/h5,7,9,11,14,16H,4,6,8,10,12-13H2,1-3H3,(H,22,25)(H,23,27)/t14-,16+,21-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC2=C(C=C(C=C2)F)Cl
InChI: InChI=1S/C16H22ClFN2O/c1-10-5-3-4-6-14(10)19-11(2)16(21)20-15-8-7-12(18)9-13(15)17/h7-11,14,19H,3-6H2,1-2H3,(H,20,21)/p+1/t10-,11-,14-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@@H]([C@@H]([C@@H](O[C@H]1OCC2=CC=CC=C2)CO)O)OCC3=CC=CC=C3
InChI: InChI=1S/C22H27NO6/c1-15(25)23-19-21(27-13-16-8-4-2-5-9-16)20(26)18(12-24)29-22(19)28-14-17-10-6-3-7-11-17/h2-11,18-22,24,26H,12-14H2,1H3,(H,23,25)/t18-,19+,20+,21-,22+/m0/s1
SMILES: CC(C)(C)NC(=O)C1=CC=CC=C1C[C@@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O
InChI: InChI=1S/C32H38N2O4/c1-32(2,3)34-31(38)27-16-10-8-13-22(27)18-25(35)19-24(17-21-11-5-4-6-12-21)30(37)33-29-26-15-9-7-14-23(26)20-28(29)36/h4-16,24-25,28-29,35-36H,17-20H2,1-3H3,(H,33,37)(H,34,38)/t24-,25+,28-,29+/m1/s1
SMILES: C[C@]12CCC[C@@]([C@@]1(C[C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH+]4CCC5(CC4)OCCO5)O)(C)OC
InChI: InChI=1S/C23H37NO6/c1-20-5-4-6-21(2,27-3)23(20,26)13-16-17(19(25)30-18(16)14-20)15-24-9-7-22(8-10-24)28-11-12-29-22/h16-18,26H,4-15H2,1-3H3/p+1/t16-,17-,18-,20-,21-,23+/m1/s1
SMILES: CC[C@H](C)[C@H](C(=O)[O-])NC(=O)N[C@H]1CCCC[C@@H]1C
InChI: InChI=1S/C14H26N2O3/c1-4-9(2)12(13(17)18)16-14(19)15-11-8-6-5-7-10(11)3/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/p-1/t9-,10-,11-,12+/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCC#CCCC(=O)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C33H60O5Si2/c1-13-14-17-20-26(37-39(9,10)32(2,3)4)23-24-28-27(21-18-15-16-19-22-31(35)36-8)29(34)25-30(28)38-40(11,12)33(5,6)7/h23-24,26-28,30H,13-14,17-22,25H2,1-12H3/b24-23+/t26-,27+,28+,30+/m0/s1
SMILES: CC[C@H]1[C@@H]2[C@H]([C@@H]3C4=C1CCC[C@H]4C[C@H](O3)OCC)C(=O)OC2=O
InChI: InChI=1S/C18H24O5/c1-3-10-11-7-5-6-9-8-12(21-4-2)22-16(13(9)11)15-14(10)17(19)23-18(15)20/h9-10,12,14-16H,3-8H2,1-2H3/t9-,10+,12-,14+,15+,16-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1N(CC(=O)NC2=CC(=CC(=C2)C)C)C3=NC(CS3)(C)C
InChI: InChI=1S/C22H33N3OS/c1-15-10-16(2)12-18(11-15)23-20(26)13-25(19-9-7-6-8-17(19)3)21-24-22(4,5)14-27-21/h10-12,17,19H,6-9,13-14H2,1-5H3,(H,23,26)/t17-,19+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2)S(=O)(=O)C3=CC=C(C=C3)F
InChI: InChI=1S/C15H12FNO3S/c16-11-6-8-12(9-7-11)21(19,20)14-13(17-15(14)18)10-4-2-1-3-5-10/h1-9,13-14H,(H,17,18)/t13-,14-/m1/s1
SMILES: CCCCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)CC(C)C)O2
InChI: InChI=1S/C18H27NO4/c1-4-5-6-9-22-17(21)14-13-7-8-18(23-13)11-19(10-12(2)3)16(20)15(14)18/h7-8,12-15H,4-6,9-11H2,1-3H3/t13-,14-,15+,18-/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)CCCC(=O)O)CN(C)[C@@H](C)C5=CC=CC=C5
InChI: InChI=1S/C40H46N2O6/c1-27-36(25-42(3)28(2)31-11-5-4-6-12-31)47-40(48-39(27)32-20-18-29(26-43)19-21-32)35-15-8-14-34(23-35)33-13-7-10-30(22-33)24-41-37(44)16-9-17-38(45)46/h4-8,10-15,18-23,27-28,36,39-40,43H,9,16-17,24-26H2,1-3H3,(H,41,44)(H,45,46)/t27-,28-,36+,39+,40+/m0/s1
SMILES: C/C=C\[C@@H]1C[C@@H](N[C@H]1[C@H]([C@H](C(=C)C)O)NC(=O)C)C(=O)O
InChI: InChI=1S/C15H24N2O4/c1-5-6-10-7-11(15(20)21)17-12(10)13(16-9(4)18)14(19)8(2)3/h5-6,10-14,17,19H,2,7H2,1,3-4H3,(H,16,18)(H,20,21)/b6-5-/t10-,11-,12-,13-,14+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1CN3N=C(C4=C(S3(=O)=O)C=CC(=C4)CCN5C=C[N+](=C5)C)C6=CC=CC=C6)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C30H31N5O6S/c1-18-23(28(30(38)39)35-27(18)25(19(2)36)29(35)37)16-34-31-26(21-7-5-4-6-8-21)22-15-20(9-10-24(22)42(34,40)41)11-12-33-14-13-32(3)17-33/h4-10,13-15,17-19,25,27,36H,11-12,16H2,1-3H3/p+1/t18-,19+,25+,27+/m0/s1
SMILES: C[C@H]1C[C@@H]1C2=CC=C(O2)/C=N\N3C(=NNC3=S)C4=C(C=C(C=C4)OC)OC
InChI: InChI=1S/C19H20N4O3S/c1-11-8-15(11)16-7-5-13(26-16)10-20-23-18(21-22-19(23)27)14-6-4-12(24-2)9-17(14)25-3/h4-7,9-11,15H,8H2,1-3H3,(H,22,27)/b20-10-/t11-,15-/m0/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)NC2=CC=C(C=C2)OC3=CC=CC(=C3)C
InChI: InChI=1S/C18H19NO2/c1-12-4-3-5-16(10-12)21-15-8-6-14(7-9-15)19-18(20)17-11-13(17)2/h3-10,13,17H,11H2,1-2H3,(H,19,20)/t13-,17+/m1/s1
SMILES: COC1=CC2=C(C=C1)C(=O)[C@H]([C@@H](O2)C3=CC4=C(C=C3)OCO4)OC(=O)NCCC5=CC(=C(C=C5)OC)OC
InChI: InChI=1S/C28H27NO9/c1-32-18-6-7-19-22(14-18)37-26(17-5-9-21-24(13-17)36-15-35-21)27(25(19)30)38-28(31)29-11-10-16-4-8-20(33-2)23(12-16)34-3/h4-9,12-14,26-27H,10-11,15H2,1-3H3,(H,29,31)/t26-,27+/m0/s1
SMILES: C1[C@H]2[C@H](N2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=C(C7=CC=CC=C7N61)CO
InChI: InChI=1S/C31H26N2O/c34-21-26-25-18-10-11-19-27(25)32-20-28-30(29(26)32)33(28)31(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-19,28,30,34H,20-21H2/t28-,30-,33?/m0/s1
SMILES: C1[C@@H]2[C@H](CS1(=O)=O)SC(=NC(=O)C3=CC=C(C=C3)Br)N2C4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H14BrClN2O3S2/c19-12-3-1-11(2-4-12)17(23)21-18-22(14-7-5-13(20)6-8-14)15-9-27(24,25)10-16(15)26-18/h1-8,15-16H,9-10H2/t15-,16+/m1/s1
SMILES: C1=CC=C2C(=C1)NC(=N2)NNC(=O)N3[C@H]4C=CC=C[C@H]4SC5=CC=CC=C53
InChI: InChI=1S/C20H17N5OS/c26-20(24-23-19-21-13-7-1-2-8-14(13)22-19)25-15-9-3-5-11-17(15)27-18-12-6-4-10-16(18)25/h1-12,15,17H,(H,24,26)(H2,21,22,23)/t15-,17+/m0/s1
SMILES: CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O.Cl
InChI: InChI=1S/C32H45N3O4S.ClH/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39);1H/t22-,23+,26-,27-,29+;/m0./s1
SMILES: C[C@@H](C(=O)O[C@@H](C)C(=O)C1=CNC2=CC=CC=C21)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C22H22N2O5/c1-12(24-20(26)15-8-3-4-9-16(15)21(24)27)22(28)29-13(2)19(25)17-11-23-18-10-6-5-7-14(17)18/h3-7,10-13,15-16,23H,8-9H2,1-2H3/t12-,13-,15-,16-/m0/s1
SMILES: C1CC[C@@]23[C@@H](C1)[C@@H](C[C@]4(N2C5=CC=CC=C5N3)C6=CC=CC=C6C(=O)O4)C7=CC=CC=C7
InChI: InChI=1S/C28H26N2O2/c31-26-20-12-4-5-14-23(20)28(32-26)18-21(19-10-2-1-3-11-19)22-13-8-9-17-27(22)29-24-15-6-7-16-25(24)30(27)28/h1-7,10-12,14-16,21-22,29H,8-9,13,17-18H2/t21-,22-,27-,28+/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C(=O)N2C3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])[C@H](C5=CC=CO5)O
InChI: InChI=1S/C28H25N3O8S2/c1-28(2,3)17-8-6-16(7-9-17)23-22(24(32)20-5-4-14-39-20)25(33)26(34)30(23)27-29-15-21(40-27)41(37,38)19-12-10-18(11-13-19)31(35)36/h4-15,22-24,32H,1-3H3/t22-,23+,24-/m0/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H](O1)CC(=O)OC)Br)OCC2=CC=CC=C2
InChI: InChI=1S/C15H19BrO5/c1-18-12(17)8-11-13(16)14(15(19-2)21-11)20-9-10-6-4-3-5-7-10/h3-7,11,13-15H,8-9H2,1-2H3/t11-,13-,14+,15+/m0/s1
SMILES: CC(C)NC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI: InChI=1S/C13H18N6O4/c1-5(2)18-12(22)9-7(20)8(21)13(23-9)19-4-17-6-10(14)15-3-16-11(6)19/h3-5,7-9,13,20-21H,1-2H3,(H,18,22)(H2,14,15,16)/t7-,8+,9-,13+/m0/s1