EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl
InChI: InChI=1S/C18H24ClNO3S/c1-11-5-4-6-16(12(11)2)20-17(21)10-23-18(22)14-9-13(24-3)7-8-15(14)19/h7-9,11-12,16H,4-6,10H2,1-3H3,(H,20,21)/t11-,12+,16+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(=O)C2=CC=CC=C2)O)O)O
InChI: InChI=1S/C19H30O7Si/c1-19(2,3)27(4,5)24-11-13-14(20)15(21)16(22)18(25-13)26-17(23)12-9-7-6-8-10-12/h6-10,13-16,18,20-22H,11H2,1-5H3/t13-,14-,15+,16+,18-/m1/s1
SMILES: CCOC(=O)N1CC=C2[C@@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)O
InChI: InChI=1S/C21H19N5O3/c1-2-29-20(28)26-7-6-15-16(9-22)19(25)21(11-23,12-24)18(17(15)10-26)13-4-3-5-14(27)8-13/h3-6,8,17-18,27H,2,7,10,25H2,1H3/t17-,18-/m1/s1
SMILES: CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N4CC=C5[C@H](N4C3=O)C[C@]6(C(=O)N(C(=O)[C@]6([C@H]5C7=CC(=C(C=C7)OC)O)Cl)C)Cl)OC)OC
InChI: InChI=1S/C33H32Cl2N6O9/c1-37-20-14-25(50-5)24(49-4)13-19(20)36-18(27(37)43)9-10-39-30(46)40-11-8-17-21(41(40)31(39)47)15-32(34)28(44)38(2)29(45)33(32,35)26(17)16-6-7-23(48-3)22(42)12-16/h6-8,12-14,21,26,42H,9-11,15H2,1-5H3/t21-,26+,32-,33+/m1/s1
SMILES: CO[C@@H]1[C@H]([C@@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)O)NN4C(=O)C5=CC=CC=C5C4=O
InChI: InChI=1S/C22H22N2O7/c1-28-22-16(23-24-19(26)13-9-5-6-10-14(13)20(24)27)17(25)18-15(30-22)11-29-21(31-18)12-7-3-2-4-8-12/h2-10,15-18,21-23,25H,11H2,1H3/t15-,16+,17+,18-,21?,22+/m1/s1
SMILES: CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)O)OC)OC2)C(=O)O
InChI: InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12?,18-,20+/m1/s1
SMILES: CC1=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=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)N=NC8=CC=C(C=C8)N(C)C)O
InChI: InChI=1S/C41H34Cl2FN5O5/c1-22-20-23(4-19-33(22)50)35-30-17-18-31-34(32(30)21-40(42)38(53)49(39(54)41(35,40)43)29-11-5-24(44)6-12-29)37(52)48(36(31)51)28-15-9-26(10-16-28)46-45-25-7-13-27(14-8-25)47(2)3/h4-17,19-20,31-32,34-35,50H,18,21H2,1-3H3/t31-,32+,34-,35-,40+,41-/m0/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)OCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4
InChI: InChI=1S/C19H23NO5/c1-12-9-14(12)18(22)23-11-17(21)20-13-5-6-15-16(10-13)25-19(24-15)7-3-2-4-8-19/h5-6,10,12,14H,2-4,7-9,11H2,1H3,(H,20,21)/t12-,14+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1S[C@@H]2[C@H]([C@H](O[C@H]([C@@H]2OC(=O)C)OC)COC(=O)C)OS(=O)(=O)O)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C25H37NO18S2/c1-10(27)26-18-21(40-14(5)31)19(39-13(4)30)16(8-37-11(2)28)43-25(18)45-23-20(44-46(33,34)35)17(9-38-12(3)29)42-24(36-7)22(23)41-15(6)32/h16-25H,8-9H2,1-7H3,(H,26,27)(H,33,34,35)/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25+/m1/s1
SMILES: CCN(CC)CCSCC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)NCCCCCCCCCCC(=O)O
InChI: InChI=1S/C47H82N2O4S/c1-9-49(10-2)31-32-54-33-34(3)35-22-27-47(42(53)48-30-18-16-14-12-11-13-15-17-19-40(51)52)29-28-45(7)36(41(35)47)20-21-38-44(6)25-24-39(50)43(4,5)37(44)23-26-46(38,45)8/h35-39,41,50H,3,9-33H2,1-2,4-8H3,(H,48,53)(H,51,52)/t35-,36+,37-,38+,39-,41+,44-,45+,46+,47-/m0/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)C5CCCCC5)C(=O)CO)CCC6=CC(=O)C=C[C@]36C)O
InChI: InChI=1S/C28H38O6/c1-26-11-10-18(30)12-17(26)8-9-19-20-13-23-28(22(32)15-29,27(20,2)14-21(31)24(19)26)34-25(33-23)16-6-4-3-5-7-16/h10-12,16,19-21,23-25,29,31H,3-9,13-15H2,1-2H3/t19-,20-,21-,23+,24+,25?,26-,27-,28+/m0/s1
SMILES: CCCCCCCC[N+]1(C[C@@H]2[C@H](C1)OC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[I-]
InChI: InChI=1S/C26H36NO2.HI/c1-3-4-5-6-7-14-19-27(2)20-24-25(21-27)29-26(28-24,22-15-10-8-11-16-22)23-17-12-9-13-18-23;/h8-13,15-18,24-25H,3-7,14,19-21H2,1-2H3;1H/q+1;/p-1/t24-,25+,27?;
SMILES: CC1=CSC(=N1)[C@](CCCC(C)[C@H]2CCC\3[C@@]2(CCC/C3=C/C=C4C[C@@H](C[C@@H](C4)O)O)C)(CO)C(C)C
InChI: InChI=1S/C32H51NO3S/c1-21(2)32(20-34,30-33-23(4)19-37-30)15-6-8-22(3)28-12-13-29-25(9-7-14-31(28,29)5)11-10-24-16-26(35)18-27(36)17-24/h10-11,19,21-22,26-29,34-36H,6-9,12-18,20H2,1-5H3/b24-10?,25-11-/t22?,26-,27+,28-,29?,31-,32-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1CN3C4=C(CS3(=O)=O)C5=C(C=CC(=C5)C[N+]67CC[N+](CC6)(CC7)CC(=O)N)C=C4)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C31H37N5O7S/c1-18-23(29(31(40)41)34-28(18)27(19(2)37)30(34)39)14-33-25-6-5-21-4-3-20(13-22(21)24(25)17-44(33,42)43)15-35-7-10-36(11-8-35,12-9-35)16-26(32)38/h3-6,13,18-19,27-28,37H,7-12,14-17H2,1-2H3,(H-2,32,38,40,41)/p+2/t18-,19+,27+,28+,35?,36?/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)C(=O)C)[N+](=O)[O-]
InChI: InChI=1S/C27H20N2O5/c1-14-11-12-16(13-21(14)29(33)34)28-25(31)23-22-17-7-3-5-9-19(17)27(15(2)30,24(23)26(28)32)20-10-6-4-8-18(20)22/h3-13,22-24H,1-2H3/t22?,23-,24-,27?/m0/s1
SMILES: CC(=O)N[C@H]1[C@@H](O[C@@H]2COC(O[C@H]2C1=O)C3=CC=CC=C3)OC
InChI: InChI=1S/C16H19NO6/c1-9(18)17-12-13(19)14-11(22-16(12)20-2)8-21-15(23-14)10-6-4-3-5-7-10/h3-7,11-12,14-16H,8H2,1-2H3,(H,17,18)/t11-,12-,14-,15?,16-/m1/s1
SMILES: CCCN(CCC)[C@@H]1CC2=CC(=C(C=C2[C@H]1C3=CC=CC=C3)OC)F.Cl
InChI: InChI=1S/C22H28FNO.ClH/c1-4-11-24(12-5-2)20-14-17-13-19(23)21(25-3)15-18(17)22(20)16-9-7-6-8-10-16;/h6-10,13,15,20,22H,4-5,11-12,14H2,1-3H3;1H/t20-,22-;/m1./s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4([C@@H]3CC[C@@]2([C@@]1(C)C(=O)C)C)C
InChI: InChI=1S/C23H34O2/c1-14-12-20-18-7-6-16-13-17(25)8-10-21(16,3)19(18)9-11-22(20,4)23(14,5)15(2)24/h13-14,18-20H,6-12H2,1-5H3/t14-,18-,19-,20+,21+,22+,23-/m1/s1
SMILES: C1[C@H]([C@H]([C@H]([C@@H](N1)NC(=O)C(F)(F)F)O)O)O.Cl
InChI: InChI=1S/C7H11F3N2O4.ClH/c8-7(9,10)6(16)12-5-4(15)3(14)2(13)1-11-5;/h2-5,11,13-15H,1H2,(H,12,16);1H/t2-,3-,4-,5+;/m1./s1
SMILES: CC1=CC=C(C=C1)NC(=O)O[C@@H]2CC[C@@]3([C@H]([C@]2(C)CO)CC[C@H]([C@H]3CC(=O)N4CCOCC4)O)C
InChI: InChI=1S/C27H40N2O6/c1-18-4-6-19(7-5-18)28-25(33)35-23-10-11-26(2)20(16-24(32)29-12-14-34-15-13-29)21(31)8-9-22(26)27(23,3)17-30/h4-7,20-23,30-31H,8-17H2,1-3H3,(H,28,33)/t20-,21-,22-,23-,26+,27+/m1/s1
SMILES: CCCCCCCCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OP(=O)(O)O)OCC[C@@H](CCCCCCC)OC)NC(=O)CCCCCCCCC/C=C\CCCCCC)O)OCCCCCCCCCC
InChI: InChI=1S/C66H129NO18P2/c1-7-11-15-19-22-25-27-29-30-31-32-34-36-40-44-48-58(68)67-59-62(80-52-49-55(77-6)47-43-39-18-14-10-4)61(84-86(70,71)72)57(53-76-5)83-65(59)81-54-56-60(69)63(78-50-45-41-37-24-21-17-13-9-3)64(66(82-56)85-87(73,74)75)79-51-46-42-38-35-33-28-26-23-20-16-12-8-2/h25,27,55-57,59-66,69H,7-24,26,28-54H2,1-6H3,(H,67,68)(H2,70,71,72)(H2,73,74,75)/b27-25-/t55-,56-,57-,59-,60-,61-,62-,63+,64-,65-,66+/m1/s1
SMILES: C[C@H](C(C)(C)C)NC(=O)C[C@@H]1[C@@H](CC[C@@H]2[C@]1(CC[C@H]([C@@]2(C)CO)O)C)O
InChI: InChI=1S/C21H39NO4/c1-13(19(2,3)4)22-18(26)11-14-15(24)7-8-16-20(14,5)10-9-17(25)21(16,6)12-23/h13-17,23-25H,7-12H2,1-6H3,(H,22,26)/t13-,14-,15-,16-,17-,20+,21+/m1/s1
SMILES: CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@](N[C@H]2C3=CC=CS3)(CC4=CC=C(C=C4)O)C(=O)OC
InChI: InChI=1S/C21H22N2O5S/c1-3-23-18(25)15-16(19(23)26)21(20(27)28-2,11-12-6-8-13(24)9-7-12)22-17(15)14-5-4-10-29-14/h4-10,15-17,22,24H,3,11H2,1-2H3/t15-,16+,17+,21-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](C2([C@@H]3N1N=CC4=CC=CC=C34)C(=O)OC5(CCCC5)OC2=O)C6=CC=C(C=C6)OC
InChI: InChI=1S/C28H28N2O7/c1-3-35-24(31)22-21(17-10-12-19(34-2)13-11-17)28(23-20-9-5-4-8-18(20)16-29-30(22)23)25(32)36-27(37-26(28)33)14-6-7-15-27/h4-5,8-13,16,21-23H,3,6-7,14-15H2,1-2H3/t21-,22+,23-/m1/s1
SMILES: C[C@]12CCC[C@@H]1[C@@H]3CC[C@@H]4CC5(CC[C@@]4([C@@H]3CC2)C)NCCN5
InChI: InChI=1S/C21H36N2/c1-19-8-3-4-17(19)16-6-5-15-14-21(22-12-13-23-21)11-10-20(15,2)18(16)7-9-19/h15-18,22-23H,3-14H2,1-2H3/t15-,16+,17-,18-,19-,20+/m1/s1
SMILES: CO[C@H]1[C@H]([C@@H](C[C@H](O1)COCC2=CC=CC=C2)O)N=[N+]=[N-]
InChI: InChI=1S/C14H19N3O4/c1-19-14-13(16-17-15)12(18)7-11(21-14)9-20-8-10-5-3-2-4-6-10/h2-6,11-14,18H,7-9H2,1H3/t11-,12+,13-,14+/m0/s1
SMILES: C[C@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NC2=C(C(=C(C=C2)F)F)F
InChI: InChI=1S/C17H17F3N2O6/c1-8-4-13(23)9(10(8)6-22(26)27)5-15(25)28-7-14(24)21-12-3-2-11(18)16(19)17(12)20/h2-3,8-10H,4-7H2,1H3,(H,21,24)/t8-,9-,10+/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OC(=S)NC3=CC=CC(=C3)C#N)N4C(=NN=N4)SCC5=CC=CO5
InChI: InChI=1S/C20H18N6O4S2/c21-8-12-3-1-4-13(7-12)22-20(31)30-16-10-29-17-15(9-28-18(16)17)26-19(23-24-25-26)32-11-14-5-2-6-27-14/h1-7,15-18H,9-11H2,(H,22,31)/t15-,16+,17+,18+/m0/s1
SMILES: C1=CC=C(C(=C1)[C@@H]2[C@H]([C@@](NC(=C2C#N)S)(C(F)(F)F)O)C(=O)C3=CC=CS3)Cl
InChI: InChI=1S/C18H12ClF3N2O2S2/c19-11-5-2-1-4-9(11)13-10(8-23)16(27)24-17(26,18(20,21)22)14(13)15(25)12-6-3-7-28-12/h1-7,13-14,24,26-27H/t13-,14-,17-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CN4CCN(CC4)C(=O)CNC(=O)CC(C)(C)C)O)CCC5=C3C=CC(=C5)O
InChI: InChI=1S/C31H47N3O4/c1-29(2,3)18-27(36)32-19-28(37)34-15-13-33(14-16-34)20-31(38)12-10-26-25-7-5-21-17-22(35)6-8-23(21)24(25)9-11-30(26,31)4/h6,8,17,24-26,35,38H,5,7,9-16,18-20H2,1-4H3,(H,32,36)/t24-,25-,26+,30+,31-/m1/s1
SMILES: C[13C@H]\1[13CH2]/[13CH]=[13CH]/[13C@H]2[13CH]=[13C]([13C@H]([C@@H]3[13C@@]2([13C](=O)/[13CH]=[13CH]/[13CH2][13CH2]/[13C](=[13CH]1)/C)[13C](=O)N[C@H]3CC4=CNC5=CC=CC=C54)[13CH3])C
InChI: InChI=1S/C32H38N2O2/c1-20-10-5-8-15-29(35)32-25(12-9-11-21(2)16-20)17-22(3)23(4)30(32)28(34-31(32)36)18-24-19-33-27-14-7-6-13-26(24)27/h6-9,12-17,19,21,23,25,28,30,33H,5,10-11,18H2,1-4H3,(H,34,36)/b12-9+,15-8+,20-16+/t21-,23+,25-,28-,30-,32+/m0/s1/i4+1,5+1,8+1,9+1,10+1,11+1,12+1,15+1,16+1,17+1,20+1,21+1,22+1,23+1,25+1,29+1,31+1,32+1
SMILES: C1C[C@H]2C[C@@H]1C[C@H]2NC(=S)NN3C(=O)C4=CC=CC=C4NC3=O
InChI: InChI=1S/C16H18N4O2S/c21-14-11-3-1-2-4-12(11)18-16(22)20(14)19-15(23)17-13-8-9-5-6-10(13)7-9/h1-4,9-10,13H,5-8H2,(H,18,22)(H2,17,19,23)/t9-,10+,13-/m1/s1
SMILES: CCC(C)C(=O)O[C@H]1[C@@H](C2C(CN3C[C@H](CC[C@H]3[C@@]2(C)O)C)C4[C@@]1(C5[C@@H]([C@@H](C6[C@]7([C@]5(C4)O[C@@]6([C@H](CC7)OC(=O)C(C)(CC)O)C)C)OC(=O)O)OC(=O)C)O)O
InChI: InChI=1S/C41H63NO14/c1-10-20(4)33(45)55-32-27(44)26-22(18-42-17-19(3)12-13-24(42)38(26,8)50)23-16-40-31(41(23,32)51)29(52-21(5)43)28(54-35(47)48)30-36(40,6)15-14-25(39(30,9)56-40)53-34(46)37(7,49)11-2/h19-20,22-32,44,49-51H,10-18H2,1-9H3,(H,47,48)/t19-,20?,22?,23?,24-,25-,26?,27+,28-,29+,30?,31?,32-,36-,37?,38+,39+,40+,41-/m0/s1
SMILES: COC1=CC2=C(C(=C1)CO[C@@]3(CCCC[C@@H]3OCCOCCO[C@H]4CCCC[C@]4(OC2)C5=CC=CC=C5)C6=CC=CC=C6)OC
InChI: InChI=1S/C38H48O7/c1-39-33-25-29-27-44-37(31-13-5-3-6-14-31)19-11-9-17-34(37)42-23-21-41-22-24-43-35-18-10-12-20-38(35,32-15-7-4-8-16-32)45-28-30(26-33)36(29)40-2/h3-8,13-16,25-26,34-35H,9-12,17-24,27-28H2,1-2H3/t34-,35-,37-,38-/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=COC8=C(C7)C=C(C=C8)O)C(=O)N(C5=O)CCC(=O)O
InChI: InChI=1S/C39H35N3O8/c1-21-7-9-25(10-8-21)40-42-36(47)30-19-29-27(12-13-28-33(29)37(48)41(35(28)46)16-15-32(44)45)34(39(30,38(42)49)24-5-3-2-4-6-24)23-17-22-18-26(43)11-14-31(22)50-20-23/h2-12,14,18,20,28-30,33-34,40,43H,13,15-17,19H2,1H3,(H,44,45)/t28-,29+,30-,33-,34-,39+/m0/s1
SMILES: CCC(C)N(CCNC(=O)CCC(=O)OC[C@@H]1[C@H](C([C@@H](O1)N2C=CC(=NC2=O)N)(F)F)O)C(=O)C3=CC4=CC=CC=C4C(=N3)C5=CC=CC=C5Cl
InChI: InChI=1S/C35H37ClF2N6O7/c1-3-20(2)43(32(48)25-18-21-8-4-5-9-22(21)30(41-25)23-10-6-7-11-24(23)36)17-15-40-28(45)12-13-29(46)50-19-26-31(47)35(37,38)33(51-26)44-16-14-27(39)42-34(44)49/h4-11,14,16,18,20,26,31,33,47H,3,12-13,15,17,19H2,1-2H3,(H,40,45)(H2,39,42,49)/t20?,26-,31-,33-/m1/s1
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCC(=O)NCCCC(=O)O)C)C
InChI: InChI=1S/C46H77NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-44(51)52-37-29-31-45(3)36(34-37)24-25-38-40-27-26-39(46(40,4)32-30-41(38)45)35(2)23-28-42(48)47-33-20-21-43(49)50/h12-13,24,35,37-41H,5-11,14-23,25-34H2,1-4H3,(H,47,48)(H,49,50)/b13-12+/t35-,37+,38+,39-,40+,41+,45+,46-/m1/s1
SMILES: CC1=CC(=CC(=C1)N2C(=O)[C@@H]3[C@@H](C2=O)N(N=C3C(=O)OC)N=O)C
InChI: InChI=1S/C15H14N4O5/c1-7-4-8(2)6-9(5-7)18-13(20)10-11(15(22)24-3)16-19(17-23)12(10)14(18)21/h4-6,10,12H,1-3H3/t10-,12-/m0/s1
SMILES: CCC/C=N/[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C30H51NO9/c1-14-15-16-31-22-21(40-26(35)30(11,12)13)20(39-25(34)29(8,9)10)19(38-24(33)28(5,6)7)18(37-22)17-36-23(32)27(2,3)4/h16,18-22H,14-15,17H2,1-13H3/b31-16+/t18-,19+,20+,21-,22-/m1/s1
SMILES: COC(=O)[C@@H]1[C@H]([C@@](OC2=CC=CC=C2C1=O)(C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4
InChI: InChI=1S/C26H22O6/c1-30-24(28)21-22(17-11-5-3-6-12-17)26(25(29)31-2,18-13-7-4-8-14-18)32-20-16-10-9-15-19(20)23(21)27/h3-16,21-22H,1-2H3/t21-,22-,26+/m1/s1
SMILES: COC1=CC=CC=C1[C@@H]2[C@@H]3CCCC[C@@]3(CCN2CC(=O)N4CCOCC4)O
InChI: InChI=1S/C22H32N2O4/c1-27-19-8-3-2-6-17(19)21-18-7-4-5-9-22(18,26)10-11-24(21)16-20(25)23-12-14-28-15-13-23/h2-3,6,8,18,21,26H,4-5,7,9-16H2,1H3/t18-,21+,22-/m0/s1
SMILES: C[C@H]1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)O
InChI: InChI=1S/C16H15NO4/c1-9-4-2-7-12-13(9)15(19)17(14(12)18)11-6-3-5-10(8-11)16(20)21/h2-6,8-9,12-13H,7H2,1H3,(H,20,21)/t9-,12-,13+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC=CC=C2F
InChI: InChI=1S/C16H22FN3OS/c1-10-6-5-9-14(11(10)2)18-16(22)20-19-15(21)12-7-3-4-8-13(12)17/h3-4,7-8,10-11,14H,5-6,9H2,1-2H3,(H,19,21)(H2,18,20,22)/t10-,11+,14+/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Cl)O)Cl)CBr)Cl)[C@@H]5[C@H]1C(=O)N(C5=O)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C27H19BrCl4N2O5/c28-11-33-24(38)26(31)10-18-15(21(27(26,32)25(33)39)17-9-13(30)3-8-19(17)35)6-7-16-20(18)23(37)34(22(16)36)14-4-1-12(29)2-5-14/h1-6,8-9,16,18,20-21,35H,7,10-11H2/t16-,18+,20-,21+,26+,27-/m0/s1
SMILES: CC1=CC=CC=C1C(=O)N[C@H]2COC(O[C@H]2C3=CC=C(C=C3)SC)(C)C
InChI: InChI=1S/C21H25NO3S/c1-14-7-5-6-8-17(14)20(23)22-18-13-24-21(2,3)25-19(18)15-9-11-16(26-4)12-10-15/h5-12,18-19H,13H2,1-4H3,(H,22,23)/t18-,19-/m0/s1
SMILES: COC1=CC2=C(C=C1)N([C@H]3[C@@H]2C[C@]4(N3C(=O)OC4)C(=O)OC)S(=O)(=O)C5=CC=CC=C5
InChI: InChI=1S/C21H20N2O7S/c1-28-13-8-9-17-15(10-13)16-11-21(19(24)29-2)12-30-20(25)22(21)18(16)23(17)31(26,27)14-6-4-3-5-7-14/h3-10,16,18H,11-12H2,1-2H3/t16-,18+,21-/m1/s1
SMILES: C1[C@@H]([C@@H]2N(C1=O)[C@H](CO2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C19H17NO4/c21-18-9-14(13-6-7-16-17(8-13)24-11-23-16)19-20(18)15(10-22-19)12-4-2-1-3-5-12/h1-8,14-15,19H,9-11H2/t14-,15-,19-/m1/s1
SMILES: CCC(CC)NC1=C2C(=NC(=N1)Cl)N(C=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)NC(=O)CC
InChI: InChI=1S/C18H27ClN6O3/c1-4-9(5-2)21-16-13-17(24-18(19)23-16)25(8-20-13)11-7-10(14(27)15(11)28)22-12(26)6-3/h8-11,14-15,27-28H,4-7H2,1-3H3,(H,22,26)(H,21,23,24)/t10-,11+,14+,15-/m0/s1
SMILES: C[C@@H]1[C@H](OC2=C1C=CC=C2C(=O)NC3=CC=C(C=C3)N4C=NN=N4)C
InChI: InChI=1S/C18H17N5O2/c1-11-12(2)25-17-15(11)4-3-5-16(17)18(24)20-13-6-8-14(9-7-13)23-10-19-21-22-23/h3-12H,1-2H3,(H,20,24)/t11-,12-/m1/s1
SMILES: C1[C@@H]2[C@H](CS1(=O)=O)SC(=NC(=O)CCCC(=O)[O-])N2C3=CC(=CC=C3)Cl
InChI: InChI=1S/C16H17ClN2O5S2/c17-10-3-1-4-11(7-10)19-12-8-26(23,24)9-13(12)25-16(19)18-14(20)5-2-6-15(21)22/h1,3-4,7,12-13H,2,5-6,8-9H2,(H,21,22)/p-1/t12-,13+/m1/s1
SMILES: CCCOC(=O)[C@@H]1C(=N[C@]2([C@]1(C(=O)C3=CC=CC=C32)O)O)C
InChI: InChI=1S/C16H17NO5/c1-3-8-22-14(19)12-9(2)17-16(21)11-7-5-4-6-10(11)13(18)15(12,16)20/h4-7,12,20-21H,3,8H2,1-2H3/t12-,15-,16-/m0/s1
SMILES: CC1=CC2=C(C=C1)NC(=O)[C@@]23[C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)C6=CC=CC=C6C(F)(F)F
InChI: InChI=1S/C24H20F3N3O3/c1-12-8-9-15-14(11-12)23(22(33)28-15)19-18(17-7-4-10-29(17)23)20(31)30(21(19)32)16-6-3-2-5-13(16)24(25,26)27/h2-3,5-6,8-9,11,17-19H,4,7,10H2,1H3,(H,28,33)/t17-,18+,19-,23-/m0/s1
SMILES: CO[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)OC(=O)CBr)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)NC5=O)CO
InChI: InChI=1S/C29H24BrN3O8/c1-39-25-16(11-34)40-29(26(24(25)36)41-17(35)10-30)33-15-9-5-3-7-13(15)19-21-20(27(37)32-28(21)38)18-12-6-2-4-8-14(12)31-22(18)23(19)33/h2-9,16,24-26,29,31,34,36H,10-11H2,1H3,(H,32,37,38)/t16-,24+,25-,26-,29-/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)C(=O)[O-])C4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C19H16N2O4/c22-19(23)11-8-9-16-15(10-11)12-5-3-6-13(12)18(20-16)14-4-1-2-7-17(14)21(24)25/h1-5,7-10,12-13,18,20H,6H2,(H,22,23)/p-1/t12-,13-,18+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@H]2CC(=NC(=O)C)[C@@H](C[C@]([C@@H]([C@H](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)(OC/C(=N\OCC4=NC=CN4CC5=CC=CC=C5)/CO2)C)C)(C)O
InChI: InChI=1S/C44H65N5O11/c1-11-35-44(8,54)36-20-33(46-30(6)50)26(2)21-43(7,56-24-32(23-55-36)47-57-25-37-45-17-18-49(37)22-31-15-13-12-14-16-31)40(28(4)38(51)29(5)41(53)59-35)60-42-39(52)34(48(9)10)19-27(3)58-42/h12-18,26-29,34-36,39-40,42,52,54H,11,19-25H2,1-10H3/b46-33?,47-32-/t26-,27-,28+,29-,34+,35-,36-,39-,40-,42+,43-,44-/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@]13C=C[C@]4([C@@H]2CC[C@]5([C@H]4CC[C@@]56CN(C(=O)O6)CC7=CC=C(C=C7)OC(F)(F)F)C)C(=C3)C(=O)CC8=C(C=CC=C8Cl)F)O
InChI: InChI=1S/C39H40ClF4NO5/c1-34-13-10-24(46)19-36(34)16-17-38(27(20-36)30(47)18-26-28(40)4-3-5-29(26)41)31(34)11-14-35(2)32(38)12-15-37(35)22-45(33(48)50-37)21-23-6-8-25(9-7-23)49-39(42,43)44/h3-9,16-17,20,24,31-32,46H,10-15,18-19,21-22H2,1-2H3/t24-,31+,32+,34+,35-,36-,37+,38+/m0/s1
SMILES: C1[C@@H]2[C@H]([C@H]3[C@H](O3)[C@H](O2)OCC4=CC=CC=C4)O[C@@H](O1)C5=CC=CC=C5
InChI: InChI=1S/C20H20O5/c1-3-7-13(8-4-1)11-21-20-18-17(24-18)16-15(23-20)12-22-19(25-16)14-9-5-2-6-10-14/h1-10,15-20H,11-12H2/t15-,16-,17+,18+,19-,20+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@]2(C([C@@H](N1)CC(=O)O2)(C)C)C3=CC=CC=C3
InChI: InChI=1S/C17H21NO4/c1-4-21-15(20)14-17(11-8-6-5-7-9-11)16(2,3)12(18-14)10-13(19)22-17/h5-9,12,14,18H,4,10H2,1-3H3/t12-,14+,17-/m0/s1
SMILES: CC1=C(C2=C([C@@H](N3[C@@H](C2)[C@H]4C5=C(C[C@@H]([C@@H]3C#N)N4C)C(=C(C(=C5O)OC)C)OC)CNC(=O)/C=C/C6=CC=CC=C6)C(=C1OC)O)OC
InChI: InChI=1S/C37H42N4O7/c1-19-34(45-4)22-16-25-31-30-23(35(46-5)20(2)37(48-7)33(30)44)15-24(40(31)3)26(17-38)41(25)27(29(22)32(43)36(19)47-6)18-39-28(42)14-13-21-11-9-8-10-12-21/h8-14,24-27,31,43-44H,15-16,18H2,1-7H3,(H,39,42)/b14-13+/t24-,25-,26-,27-,31-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)CC#C[Si](C)(C)C)O
InChI: InChI=1S/C15H22N2O4Si/c1-10-9-17(15(20)16-14(10)19)13-8-11(18)12(21-13)6-5-7-22(2,3)4/h9,11-13,18H,6,8H2,1-4H3,(H,16,19,20)/t11-,12-,13-/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@H]2C(=CCC3[C@@]2(CCC[C@@]3(C)C(=O)OC)C)C[C@@]1(C)C=C
InChI: InChI=1S/C23H34O4/c1-7-21(3)14-16-9-10-18-22(4,17(16)13-19(21)27-15(2)24)11-8-12-23(18,5)20(25)26-6/h7,9,17-19H,1,8,10-14H2,2-6H3/t17-,18?,19+,21+,22+,23+/m0/s1
SMILES: CC(C)(C)[Si]1(OC[C@@H]2[C@H](O1)[C@@H](C=CO2)OC(=N)C(Cl)(Cl)Cl)C(C)(C)C
InChI: InChI=1S/C16H26Cl3NO4Si/c1-14(2,3)25(15(4,5)6)22-9-11-12(24-25)10(7-8-21-11)23-13(20)16(17,18)19/h7-8,10-12,20H,9H2,1-6H3/t10-,11-,12-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(C)(CC[Si](C)(C)C)O)CC=C4[C@@]3(CCC(C4)O)C
InChI: InChI=1S/C26H46O2Si/c1-24-13-11-19(27)17-18(24)7-8-20-21-9-10-23(25(21,2)14-12-22(20)24)26(3,28)15-16-29(4,5)6/h7,19-23,27-28H,8-17H2,1-6H3/t19?,20-,21-,22-,23-,24-,25-,26?/m0/s1
SMILES: C[C@@H]1C=CC[C@@H]2[C@H]1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)O[C@@H](C)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C25H23NO5/c1-15-8-6-13-20-21(15)24(29)26(23(20)28)19-12-7-11-18(14-19)25(30)31-16(2)22(27)17-9-4-3-5-10-17/h3-12,14-16,20-21H,13H2,1-2H3/t15-,16+,20-,21+/m1/s1
SMILES: CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C19H22Cl2N2O3/c1-22(11-12-6-7-15(20)16(21)10-12)17(24)8-9-23-18(25)13-4-2-3-5-14(13)19(23)26/h6-7,10,13-14H,2-5,8-9,11H2,1H3/t13-,14-/m1/s1
SMILES: COC1=C(C=C(C=C1)CCN2CC[C@]34CCCC[C@H]3[C@H]2CC5=C4C=C(C=C5)O)OC
InChI: InChI=1S/C26H33NO3/c1-29-24-9-6-18(15-25(24)30-2)10-13-27-14-12-26-11-4-3-5-21(26)23(27)16-19-7-8-20(28)17-22(19)26/h6-9,15,17,21,23,28H,3-5,10-14,16H2,1-2H3/t21-,23+,26+/m0/s1
SMILES: C1C[C@@H]2[C@H](C1)[C@@H]3C[C@@H]2C[C@H]3NCC4=NN=C5N4C=CC=C5
InChI: InChI=1S/C17H22N4/c1-2-7-21-16(6-1)19-20-17(21)10-18-15-9-11-8-14(15)13-5-3-4-12(11)13/h1-2,6-7,11-15,18H,3-5,8-10H2/t11-,12+,13+,14+,15-/m1/s1
SMILES: COC1=CC(=C(C=C1)NC(=O)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC)C5=C[C@@H]([C@H]([C@H]3[C@@H]54)CCCCO)CCCCO)N(CCOCCO)C(=O)OCCC=C)OCC=C)OC
InChI: InChI=1S/C46H63N3O13/c1-6-8-24-59-45(54)49(19-25-58-26-22-52)41-30-38(48-57-5)35-27-31(13-9-11-20-50)34(14-10-12-21-51)42-36-28-33(16-18-39(36)62-46(41,43(35)42)60-23-7-2)61-44(53)47-37-17-15-32(55-3)29-40(37)56-4/h6-7,15-18,27-29,31,34,41-43,50-52H,1-2,8-14,19-26,30H2,3-5H3,(H,47,53)/t31-,34+,41-,42+,43+,46+/m0/s1
SMILES: CC(C)[C@@H](CN(C)[C@@H]1CCCC[C@H]1N(C)C[C@@H](C(C)C)O)O
InChI: InChI=1S/C18H38N2O2/c1-13(2)17(21)11-19(5)15-9-7-8-10-16(15)20(6)12-18(22)14(3)4/h13-18,21-22H,7-12H2,1-6H3/t15-,16-,17-,18+/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC(=C4)CNC(=O)CCC(=O)O)CN5CCC[C@H]5CN6CCCC6
InChI: InChI=1S/C39H49N3O6/c1-27-35(25-42-21-5-8-34(42)24-41-19-2-3-20-41)47-39(48-38(27)31-11-9-28(26-43)10-12-31)32-15-13-30(14-16-32)33-7-4-6-29(22-33)23-40-36(44)17-18-37(45)46/h4,6-7,9-16,22,27,34-35,38-39,43H,2-3,5,8,17-21,23-26H2,1H3,(H,40,44)(H,45,46)/t27-,34+,35+,38+,39+/m1/s1
SMILES: CC1=C(C=CC2=C1N[C@H]([C@H]3[C@H]2C=CC3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C21H20N2O4/c1-12-15(21(24)27-2)10-11-18-16-4-3-5-17(16)20(22-19(12)18)13-6-8-14(9-7-13)23(25)26/h3-4,6-11,16-17,20,22H,5H2,1-2H3/t16-,17-,20+/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H]([C@@H](O1)O[C@H]3[C@H]4[C@@H]([C@@H](O[C@H]3OCC5=CC=CC=C5)C)OC(O4)(C)C)N=[N+]=[N-])OC(O2)(C)C
InChI: InChI=1S/C25H35N3O8/c1-13-17-19(35-24(3,4)33-17)16(27-28-26)22(30-13)32-21-20-18(34-25(5,6)36-20)14(2)31-23(21)29-12-15-10-8-7-9-11-15/h7-11,13-14,16-23H,12H2,1-6H3/t13-,14-,16-,17+,18+,19-,20+,21-,22-,23+/m0/s1
SMILES: CC(=O)OCC1=C(N2[C@H]([C@H](C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O
InChI: InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/t10-,14-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H22O10/c1-7(16)21-6-11-12(22-8(2)17)13(23-9(3)18)14(24-10(4)19)15(20-5)25-11/h11-15H,6H2,1-5H3/t11-,12-,13+,14-,15-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H](C(=CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)Br)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H26BrNO8/c1-15(30)34-14-24-26(37-17(3)32)25(36-16(2)31)23(28)12-29(24)27(33)35-13-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-12,22,24-26H,13-14H2,1-3H3/t24-,25-,26-/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C)C(=O)NCCCCCCCCCNC(=O)C
InChI: InChI=1S/C47H78N2O6/c1-31(2)33-20-25-47(40(52)49-29-17-15-13-11-12-14-16-28-48-32(3)50)27-26-45(9)34(39(33)47)18-19-36-44(8)23-22-37(55-38(51)30-42(4,5)41(53)54)43(6,7)35(44)21-24-46(36,45)10/h33-37,39H,1,11-30H2,2-10H3,(H,48,50)(H,49,52)(H,53,54)/t33-,34+,35-,36+,37-,39+,44-,45+,46+,47-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)/C(=C/C2=CC=CC=C2)/N3C(=NN=N3)C
InChI: InChI=1S/C20H25N5O3/c1-14-8-6-7-11-17(14)21-19(26)13-28-20(27)18(25-15(2)22-23-24-25)12-16-9-4-3-5-10-16/h3-5,9-10,12,14,17H,6-8,11,13H2,1-2H3,(H,21,26)/b18-12-/t14-,17-/m1/s1
SMILES: CC(=O)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)O)C)C
InChI: InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16+,17+,18+,19+,20+,21-/m1/s1
SMILES: CCC(=O)[C@@H]1[C@@H](CO[C@@H](O1)C2=CC=C(C=C2)OC)C
InChI: InChI=1S/C15H20O4/c1-4-13(16)14-10(2)9-18-15(19-14)11-5-7-12(17-3)8-6-11/h5-8,10,14-15H,4,9H2,1-3H3/t10-,14+,15+/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)SC5=CC=CC=C5
InChI: InChI=1S/C34H36O5S/c1-35-34-33(40-29-20-12-5-13-21-29)32(38-24-28-18-10-4-11-19-28)31(37-23-27-16-8-3-9-17-27)30(39-34)25-36-22-26-14-6-2-7-15-26/h2-21,30-34H,22-25H2,1H3/t30-,31-,32+,33-,34-/m1/s1
SMILES: C[C@@H]1[C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CC[C@@H](NC1=O)C(=O)OC)C(=O)OC)CC3=CC=CC=C3)/C=C/C4=CC=CC=C4
InChI: InChI=1S/C37H45N5O9/c1-23-26(17-16-24-11-6-4-7-12-24)39-34(46)28(21-25-13-8-5-9-14-25)38-31(43)22-29(37(49)51-3)41-35(47)30-15-10-20-42(30)32(44)19-18-27(36(48)50-2)40-33(23)45/h4-9,11-14,16-17,23,26-30H,10,15,18-22H2,1-3H3,(H,38,43)(H,39,46)(H,40,45)(H,41,47)/b17-16+/t23-,26+,27-,28+,29-,30+/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC3=C(C=C(C=C3)Br)F
InChI: InChI=1S/C16H18BrFN2O2/c1-10-4-2-3-7-16(10)14(21)20(15(22)19-16)9-11-5-6-12(17)8-13(11)18/h5-6,8,10H,2-4,7,9H2,1H3,(H,19,22)/t10-,16+/m0/s1