EdisonScientific/glyph-datasets huggingface dataset:
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]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)CCN7CCCCCC7
InChI: InChI=1S/C51H68N2O13/c1-30-35(63-45(59)40(56)39(32-19-13-11-14-20-32)52-46(60)66-47(3,4)5)28-51(61)43(64-44(58)33-21-15-12-16-22-33)41-49(8,36(55)27-37-50(41,29-62-37)65-31(2)54)42(57)34(38(30)48(51,6)7)23-26-53-24-17-9-10-18-25-53/h11-16,19-22,34-37,39-41,43,55-56,61H,9-10,17-18,23-29H2,1-8H3,(H,52,60)/t34-,35+,36+,37-,39+,40-,41+,43+,49-,50+,51-/m1/s1
SMILES: CCSC(=S)S[C@@H]1[C@H](C(=O)N1C(C(=O)OCC(=C)Cl)O)C(C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H32ClNO5S3Si/c1-9-28-18(27)29-16-13(12(3)26-30(7,8)19(4,5)6)14(22)21(16)15(23)17(24)25-10-11(2)20/h12-13,15-16,23H,2,9-10H2,1,3-8H3/t12?,13-,15?,16+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@]23CC[C@H](C4=CC=CC=C42)[C@@]5([C@H]3CN(C5)C(=O)C(=C)C6=CC=CC=C6OC)C(=O)OC
InChI: InChI=1S/C33H33NO4/c1-21-13-15-23(16-14-21)32-18-17-27(25-10-5-7-11-26(25)32)33(31(36)38-4)20-34(19-29(32)33)30(35)22(2)24-9-6-8-12-28(24)37-3/h5-16,27,29H,2,17-20H2,1,3-4H3/t27-,29+,32-,33+/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)Br
InChI: InChI=1S/C19H16BrNO2/c20-13-4-1-3-11(9-13)18-15-6-2-5-14(15)16-10-12(19(22)23)7-8-17(16)21-18/h1-5,7-10,14-15,18,21H,6H2,(H,22,23)/p-1/t14-,15+,18+/m0/s1
SMILES: CCC[C@H](C)[C@H]1[C@@H](O1)[C@@H]([C@@H](C)CC(=C)CC=C)OC(=O)/C=C(\C)/C=C/CC(=C)[C@@H]([C@H](C(=C)[C@@H]([C@H](C=C)O)OCC2=CC=C(C=C2)OC)OCC3=CC=C(C=C3)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C55H80O9Si/c1-17-21-37(4)33-41(8)50(54-49(63-54)39(6)22-18-2)62-48(57)34-38(5)23-20-24-40(7)51(64-65(15,16)55(10,11)12)53(61-36-44-27-31-46(59-14)32-28-44)42(9)52(47(56)19-3)60-35-43-25-29-45(58-13)30-26-43/h17,19-20,23,25-32,34,39,41,47,49-54,56H,1,3-4,7,9,18,21-22,24,33,35-36H2,2,5-6,8,10-16H3/b23-20+,38-34+/t39-,41-,47-,49-,50+,51-,52-,53-,54+/m0/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O.C(CO)O
InChI: InChI=1S/C30H48O5.C2H6O2/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6;3-1-2-4/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35);3-4H,1-2H2/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+;/m1./s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H](C2(F)F)/C=C/[C@@H]3[C@H](C3(F)F)COCC4=CC=CC=C4
InChI: InChI=1S/C24H24F4O2/c25-23(26)19(21(23)15-29-13-17-7-3-1-4-8-17)11-12-20-22(24(20,27)28)16-30-14-18-9-5-2-6-10-18/h1-12,19-22H,13-16H2/b12-11+/t19-,20-,21-,22-/m1/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@]3([C@@]2(CC4=CC(=C(C=C4O3)O)O)O)C)(C)C
InChI: InChI=1S/C21H30O4/c1-18(2)7-5-8-19(3)17(18)6-9-20(4)21(19,24)12-13-10-14(22)15(23)11-16(13)25-20/h10-11,17,22-24H,5-9,12H2,1-4H3/t17-,19-,20-,21-/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)NCC4=CC=CC=C4)CN5CCC[C@H]5C(=O)OC(C)(C)C
InChI: InChI=1S/C36H45N3O6/c1-24-31(22-39-20-8-11-30(39)33(41)45-36(2,3)4)43-34(44-32(24)27-14-12-26(23-40)13-15-27)28-16-18-29(19-17-28)38-35(42)37-21-25-9-6-5-7-10-25/h5-7,9-10,12-19,24,30-32,34,40H,8,11,20-23H2,1-4H3,(H2,37,38,42)/t24-,30+,31+,32+,34+/m1/s1
SMILES: C[C@H](C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C25H26N2O3/c1-17(18-11-13-20(14-12-18)19-7-3-2-4-8-19)26-23(28)15-16-27-24(29)21-9-5-6-10-22(21)25(27)30/h2-8,11-14,17,21-22H,9-10,15-16H2,1H3,(H,26,28)/t17-,21+,22+/m1/s1
SMILES: CO[C@@H]1[C@@H](CC[C@]2([C@]1(COCC=C)O)CO2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C19H24O6/c1-3-11-23-13-19(21)16(22-2)15(9-10-18(19)12-24-18)25-17(20)14-7-5-4-6-8-14/h3-8,15-16,21H,1,9-13H2,2H3/t15-,16-,18-,19-/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C20H22N2O7/c1-12-4-2-3-7-20(12)18(25)22(19(26)21-20)9-17(24)27-10-14(23)13-5-6-15-16(8-13)29-11-28-15/h5-6,8,12H,2-4,7,9-11H2,1H3,(H,21,26)/t12-,20-/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CO5)NC(=O)OCC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC(=O)COC(=O)C)C)O
InChI: InChI=1S/C46H57NO18/c1-23-28(62-40(55)35(52)33(27-16-13-17-58-27)47-41(56)61-21-42(4,5)6)19-46(57)38(64-39(54)26-14-11-10-12-15-26)36-44(9,37(53)34(51)32(23)43(46,7)8)29(63-31(50)20-59-24(2)48)18-30-45(36,22-60-30)65-25(3)49/h10-17,28-30,33-36,38,51-52,57H,18-22H2,1-9H3,(H,47,56)/t28-,29-,30+,33-,34+,35+,36?,38-,44+,45-,46+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)OCCCCC2=CN(N=N2)CC3=CC=C(C=C3)CC4=CC=C(C=C4)CN5C=C(N=N5)CCCCO[C@@H]6[C@H](C[C@H]([C@@H]([C@H]6O)O)N)N)O)O)N
InChI: InChI=1S/C39H58N10O6/c40-30-18-32(42)38(36(52)34(30)50)54-15-3-1-5-28-22-48(46-44-28)20-26-11-7-24(8-12-26)17-25-9-13-27(14-10-25)21-49-23-29(45-47-49)6-2-4-16-55-39-33(43)19-31(41)35(51)37(39)53/h7-14,22-23,30-39,50-53H,1-6,15-21,40-43H2/t30-,31-,32+,33+,34+,35+,36-,37-,38-,39-/m1/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)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)O)O)O)N
InChI: InChI=1S/C23H45N5O14/c24-2-7-12(31)14(33)10(28)21(37-7)40-18-6(27)1-5(26)11(30)20(18)42-23-17(36)19(9(4-29)39-23)41-22-16(35)15(34)13(32)8(3-25)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7-,8+,9-,10-,11+,12-,13-,14-,15+,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
SMILES: CC(C)O[C@@H]1[C@H](O[C@H](C1OC(C)C)N2C=CC(=O)NC2=O)COS(=O)(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C50H52N4O18S/c1-29(2)66-39-36(69-44(42(39)67-30(3)4)54-26-25-37(55)51-50(54)61)28-65-73(62,63)53-49(60)52-43-41(72-48(59)34-23-15-8-16-24-34)40(71-47(58)33-21-13-7-14-22-33)38(70-46(57)32-19-11-6-12-20-32)35(68-43)27-64-45(56)31-17-9-5-10-18-31/h5-26,29-30,35-36,38-44H,27-28H2,1-4H3,(H,51,55,61)(H2,52,53,60)/t35-,36-,38-,39-,40+,41-,42?,43-,44-/m1/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@H]4[C@H]([C@@H](O3)C5=CC=C(C=C5)Br)C(=O)N(C4=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C26H14BrClFNO5/c27-13-7-5-12(6-8-13)21-19-20(25(34)30(24(19)33)14-9-10-18(29)17(28)11-14)26(35-21)22(31)15-3-1-2-4-16(15)23(26)32/h1-11,19-21H/t19-,20+,21+/m1/s1
SMILES: C1=C(N2C(=NC(=N2)N)S1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C9H12N4O4S/c10-8-11-9-13(12-8)3(2-18-9)7-6(16)5(15)4(1-14)17-7/h2,4-7,14-16H,1H2,(H2,10,12)/t4-,5-,6-,7+/m1/s1
SMILES: C[C@H]1[C@H](C[C@@H]([C@@]2(CC[C@@H](C2(C)C)[C@H](C1=O)OCOC)O)O)[C@@]3(CO[C@@H](O[C@@H]3C=C)C4=CC=C(C=C4)OC)OCOCC[Si](C)(C)C
InChI: InChI=1S/C35H56O10Si/c1-10-29-34(44-22-41-17-18-46(7,8)9,20-42-32(45-29)24-11-13-25(40-6)14-12-24)27-19-28(36)35(38)16-15-26(33(35,3)4)31(43-21-39-5)30(37)23(27)2/h10-14,23,26-29,31-32,36,38H,1,15-22H2,2-9H3/t23-,26+,27-,28-,29+,31+,32-,34+,35+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)/C=C/C2=CC=C(C=C2)SC
InChI: InChI=1S/C20H27NO3S/c1-14-6-4-5-7-18(14)21-20(23)15(2)24-19(22)13-10-16-8-11-17(25-3)12-9-16/h8-15,18H,4-7H2,1-3H3,(H,21,23)/b13-10+/t14-,15+,18+/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CS3)C(=O)N
InChI: InChI=1S/C16H20N4O4S/c1-9-4-2-3-6-16(9)14(23)20(15(24)19-16)8-11(21)18-13-10(12(17)22)5-7-25-13/h5,7,9H,2-4,6,8H2,1H3,(H2,17,22)(H,18,21)(H,19,24)/t9-,16+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C(=O)C2=C1CCCCC2)CC(=O)OC
InChI: InChI=1S/C19H32O4Si/c1-19(2,3)24(5,6)23-18-14-11-9-7-8-10-13(14)17(21)15(18)12-16(20)22-4/h15,18H,7-12H2,1-6H3/t15-,18+/m0/s1
SMILES: CC1=CC(=C(C=C1)C)NC(=O)CCN2C(=O)[C@@H]3CC=C(C[C@H]3C2=O)Cl
InChI: InChI=1S/C19H21ClN2O3/c1-11-3-4-12(2)16(9-11)21-17(23)7-8-22-18(24)14-6-5-13(20)10-15(14)19(22)25/h3-5,9,14-15H,6-8,10H2,1-2H3,(H,21,23)/t14-,15-/m1/s1
SMILES: C[C@]12CC=C3[C@H]([C@@H]1CC=C2C(=O)CCl)CCC4=CC(=O)C=C[C@@]43C
InChI: InChI=1S/C21H23ClO2/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h6-9,11,15-16H,3-5,10,12H2,1-2H3/t15-,16-,20-,21-/m0/s1
SMILES: CC(C1=C(C=CC(=C1)CNC(=O)CCCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-])OC(=O)NCC#CC4=CN(C(=O)N=C4N)[C@H]5CC[C@H](O5)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChI: InChI=1S/C38H54N9O19P3S/c1-23(63-38(52)41-17-7-8-25-20-46(37(51)45-35(25)39)33-15-13-26(64-33)21-62-68(58,59)66-69(60,61)65-67(55,56)57)27-18-24(12-14-29(27)47(53)54)19-42-32(49)10-3-2-6-16-40-31(48)11-5-4-9-30-34-28(22-70-30)43-36(50)44-34/h12,14,18,20,23,26,28,30,33-34H,2-6,9-11,13,15-17,19,21-22H2,1H3,(H,40,48)(H,41,52)(H,42,49)(H,58,59)(H,60,61)(H2,39,45,51)(H2,43,44,50)(H2,55,56,57)/t23?,26-,28-,30-,33+,34-/m0/s1
SMILES: C[C@H](CC(CC(C)(C)O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C27H44O3/c1-17(14-20(29)16-25(2,3)30)22-8-9-23-21-7-6-18-15-19(28)10-12-26(18,4)24(21)11-13-27(22,23)5/h6-7,17,19-20,22-24,28-30H,8-16H2,1-5H3/t17-,19+,20?,22-,23+,24+,26+,27-/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=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC(=CC=C8)[N+](=O)[O-])I)O
InChI: InChI=1S/C39H29ClFIN4O8/c1-54-31-16-19(15-30(42)34(31)47)33-26-13-14-27-32(37(50)44(35(27)48)24-3-2-4-25(17-24)46(52)53)28(26)18-29-36(49)45(43-23-11-9-22(41)10-12-23)38(51)39(29,33)20-5-7-21(40)8-6-20/h2-13,15-17,27-29,32-33,43,47H,14,18H2,1H3/t27-,28+,29-,32-,33-,39+/m0/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC[C@H](C(=O)N)O)O)O)O)O
InChI: InChI=1S/C9H17NO8/c10-8(16)3(12)2-17-9-7(15)6(14)5(13)4(1-11)18-9/h3-7,9,11-15H,1-2H2,(H2,10,16)/t3-,4-,5-,6+,7+,9-/m1/s1
SMILES: C1CC[NH+]2CCC[C@H]([C@H]2C1)COC(=O)[C@H]3CC3(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C26H31NO2/c28-25(29-19-20-10-9-17-27-16-8-7-15-24(20)27)23-18-26(23,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-6,11-14,20,23-24H,7-10,15-19H2/p+1/t20-,23+,24+/m0/s1
SMILES: CC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=CC=C4
InChI: InChI=1S/C24H24N2O7S/c1-12(28)17-18(15-8-5-9-32-15)14(10-25)23(26-19(17)13-6-3-2-4-7-13)34-24-22(31)21(30)20(29)16(11-27)33-24/h2-9,16,18,20-22,24,26-27,29-31H,11H2,1H3/t16-,18?,20-,21+,22-,24+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@]2(O1)[C@H](CC3=CC(=O)NC(=O)N23)C4=CC=CC=C4)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C29H46N2O6Si2/c1-27(2,3)38(7,8)35-18-22-24(37-39(9,10)28(4,5)6)25(33)29(36-22)21(19-14-12-11-13-15-19)16-20-17-23(32)30-26(34)31(20)29/h11-15,17,21-22,24-25,33H,16,18H2,1-10H3,(H,30,32,34)/t21-,22-,24-,25+,29-/m1/s1
SMILES: C[C@]12C=CC(=O)C([C@@H]1C[C@H]([C@@]3([C@@H]2CC[C@@]45[C@@]3(C4)CCC5=O)C)O)(C)C
InChI: InChI=1S/C22H30O3/c1-18(2)14-11-17(25)20(4)13(19(14,3)8-6-15(18)23)5-9-21-12-22(20,21)10-7-16(21)24/h6,8,13-14,17,25H,5,7,9-12H2,1-4H3/t13-,14+,17-,19-,20+,21-,22-/m1/s1
SMILES: C=C1[C@H]([C@@H](NC(=O)N1)C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H14Cl2N2O2/c1-10-15(17(23)12-4-8-14(20)9-5-12)16(22-18(24)21-10)11-2-6-13(19)7-3-11/h2-9,15-16H,1H2,(H2,21,22,24)/t15-,16+/m1/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC(=O)NC5=C(C=C(C=C5)OC)OC)CCCCO)CCCCO)OCC=C)N(C)C(=O)OCC6=CC=CC=C6
InChI: InChI=1S/C47H59N3O11/c1-6-25-58-47-42(50(3)46(54)57-30-31-15-9-8-10-16-31)29-39(49-59-7-2)36-26-32(17-11-13-23-51)35(18-12-14-24-52)43(44(36)47)37-27-34(20-22-40(37)61-47)60-45(53)48-38-21-19-33(55-4)28-41(38)56-5/h6,8-10,15-16,19-22,26-28,32,35,42-44,51-52H,1,7,11-14,17-18,23-25,29-30H2,2-5H3,(H,48,53)/t32-,35+,42-,43+,44+,47+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OCC(C(=O)OC)N1[C@H]([C@H](C1=O)OC2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C25H33NO5Si/c1-25(2,3)32(5,6)30-17-20(24(28)29-4)26-21(18-13-9-7-10-14-18)22(23(26)27)31-19-15-11-8-12-16-19/h7-16,20-22H,17H2,1-6H3/t20?,21-,22+/m0/s1
SMILES: CC1[C@@H]2CC[C@H]3[C@@]4(C[C@@H](C[C@H]([C@H]4CC[C@]3(C2)[C@@H]1O)C(=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)CCC6=CC=C(C=C6)O)OS(=O)(=O)O)OS(=O)(=O)O)OC(=O)CC(C)C)C
InChI: InChI=1S/C39H56O18S2/c1-20(2)15-31(42)55-34-33(57-59(49,50)51)32(56-58(46,47)48)28(19-52-30(41)12-7-22-5-9-24(40)10-6-22)54-37(34)53-25-16-26(36(44)45)27-13-14-39-17-23(21(3)35(39)43)8-11-29(39)38(27,4)18-25/h5-6,9-10,20-21,23,25-29,32-35,37,40,43H,7-8,11-19H2,1-4H3,(H,44,45)(H,46,47,48)(H,49,50,51)/t21?,23-,25-,26-,27-,28-,29+,32-,33+,34-,35-,37-,38-,39-/m1/s1
SMILES: CC1([C@H]([C@H]1C(=O)NC2=NC3=CC=CC=C3S2)C=C(Cl)Cl)C
InChI: InChI=1S/C15H14Cl2N2OS/c1-15(2)8(7-11(16)17)12(15)13(20)19-14-18-9-5-3-4-6-10(9)21-14/h3-8,12H,1-2H3,(H,18,19,20)/t8-,12-/m0/s1
SMILES: CCCCNC(=O)CC1=CN(C2=CC=CC=C21)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O
InChI: InChI=1S/C41H46N2O6/c1-2-3-23-42-37(44)24-33-25-43(35-22-14-13-21-34(33)35)41-38(45)40(48-28-32-19-11-6-12-20-32)39(47-27-31-17-9-5-10-18-31)36(49-41)29-46-26-30-15-7-4-8-16-30/h4-22,25,36,38-41,45H,2-3,23-24,26-29H2,1H3,(H,42,44)/t36-,38-,39+,40-,41-/m1/s1
SMILES: C1=CSC(=C1)C(=O)[C@@H]2[C@@H](NC(=O)N[C@@]2(C(F)(F)F)O)C3=CC=C(C=C3)F
InChI: InChI=1S/C16H12F4N2O3S/c17-9-5-3-8(4-6-9)12-11(13(23)10-2-1-7-26-10)15(25,16(18,19)20)22-14(24)21-12/h1-7,11-12,25H,(H2,21,22,24)/t11-,12-,15+/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)C(F)(F)F)CN5CCCCCCC5
InChI: InChI=1S/C33H42F3N3O5/c1-22-28(20-38-16-5-3-2-4-6-17-38)43-31(44-29(22)24-14-12-23(21-40)13-15-24)25-9-7-10-26(19-25)37-30(41)27-11-8-18-39(27)32(42)33(34,35)36/h7,9-10,12-15,19,22,27-29,31,40H,2-6,8,11,16-18,20-21H2,1H3,(H,37,41)/t22-,27+,28+,29+,31+/m1/s1
SMILES: C1=C[C@H]2[C@@H]1[C@@H]3C=C[C@H]2C(C3(C#N)C#N)(C#N)C#N
InChI: InChI=1S/C14H8N4/c15-5-13(6-16)11-3-4-12(10-2-1-9(10)11)14(13,7-17)8-18/h1-4,9-12H/t9-,10+,11+,12-
SMILES: C=C1C[C@@H]2[C@]34CO[C@@H]([C@]1([C@H]3C[C@@H](C=C4C(=O)O2)O)C[C@H](C5=COC=C5)O)O
InChI: InChI=1S/C20H22O7/c1-10-4-16-20-9-26-18(24)19(10,7-14(22)11-2-3-25-8-11)15(20)6-12(21)5-13(20)17(23)27-16/h2-3,5,8,12,14-16,18,21-22,24H,1,4,6-7,9H2/t12-,14-,15-,16-,18+,19-,20+/m1/s1
SMILES: CCC(=O)C1=CC=C(C=C1)O[C@H](C)C(=O)N[C@H]2CCC[C@@H]([C@@H]2C)C
InChI: InChI=1S/C20H29NO3/c1-5-19(22)16-9-11-17(12-10-16)24-15(4)20(23)21-18-8-6-7-13(2)14(18)3/h9-15,18H,5-8H2,1-4H3,(H,21,23)/t13-,14-,15+,18-/m0/s1
SMILES: C[C@H]1C[C@H]([C@@H]([C@H](O1)C=C)CCOC)OC(=O)C(F)(F)F
InChI: InChI=1S/C13H19F3O4/c1-4-10-9(5-6-18-3)11(7-8(2)19-10)20-12(17)13(14,15)16/h4,8-11H,1,5-7H2,2-3H3/t8-,9+,10+,11+/m0/s1
SMILES: CC(C)(C)OC(=O)NCC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)F)OCC3=CC(=C(S3)Cl)Cl
InChI: InChI=1S/C21H24Cl2FN3O8S/c1-21(2,3)35-20(31)25-6-16(28)33-9-14-13(32-8-10-4-11(22)17(23)36-10)5-15(34-14)27-7-12(24)18(29)26-19(27)30/h4,7,13-15H,5-6,8-9H2,1-3H3,(H,25,31)(H,26,29,30)/t13-,14+,15+/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)C4=CC=CC(=C4)CNC(=O)NCC5=CC=CC=C5)CN(C)[C@@H](C)[C@@H](C6=CC=CC=C6)O
InChI: InChI=1S/C44H49N3O5/c1-30-40(28-47(3)31(2)41(49)36-14-8-5-9-15-36)51-43(52-42(30)37-19-17-33(29-48)18-20-37)38-23-21-35(22-24-38)39-16-10-13-34(25-39)27-46-44(50)45-26-32-11-6-4-7-12-32/h4-25,30-31,40-43,48-49H,26-29H2,1-3H3,(H2,45,46,50)/t30-,31+,40+,41+,42+,43+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3C=C[C@H]4CO[C@@H]3O4
InChI: InChI=1S/C22H26O3Si/c1-22(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-20-15-14-17-16-23-21(20)24-17/h4-15,17,20-21H,16H2,1-3H3/t17-,20-,21+/m0/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CC3=CCCCC3)[C@]4(C1=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC9=NC1=CC=CC=C1S9
InChI: InChI=1S/C55H49N5O8S/c1-32(2)44(50(63)67-3)57-54(66)59-41-30-25-34(24-23-33-15-7-4-8-16-33)31-39(41)55(52(59)65)43(49(62)58-53-56-40-21-13-14-22-42(40)69-53)46-51(64)68-47(36-19-11-6-12-20-36)45(35-17-9-5-10-18-35)60(46)48(55)37-26-28-38(61)29-27-37/h5-6,9-15,17-22,25-32,43-48,61H,4,7-8,16H2,1-3H3,(H,57,66)(H,56,58,62)/t43-,44-,45-,46-,47+,48+,55-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)OCC=C)CSC5=NN=CN5C
InChI: InChI=1S/C33H36N4O5S/c1-4-15-40-33(39)34-18-24-7-5-8-26(16-24)27-9-6-10-28(17-27)31-41-29(20-43-32-36-35-21-37(32)3)22(2)30(42-31)25-13-11-23(19-38)12-14-25/h4-14,16-17,21-22,29-31,38H,1,15,18-20H2,2-3H3,(H,34,39)/t22-,29+,30+,31+/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NCCNCCO.Cl
InChI: InChI=1S/C25H30N2O8.ClH/c1-31-19-7-13(8-20(32-2)24(19)29)21-14-9-17-18(35-12-34-17)10-15(14)23(27-4-3-26-5-6-28)16-11-33-25(30)22(16)21;/h7-10,16,21-23,26-29H,3-6,11-12H2,1-2H3;1H/t16-,21+,22-,23+;/m0./s1
SMILES: CC(=O)NCSC[C@@H](C(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-])N
InChI: InChI=1S/C12H19N3O8S/c1-6(16)14-5-24-4-7(13)12(17)22-8-2-20-11-9(23-15(18)19)3-21-10(8)11/h7-11H,2-5,13H2,1H3,(H,14,16)/t7-,8+,9-,10+,11+/m0/s1
SMILES: C[C@]1(CC([C@@H]2[C@H]1C(OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI: InChI=1S/C16H24O11/c1-16(24)2-6(18)8-5(13(22)23)4-25-14(9(8)16)27-15-12(21)11(20)10(19)7(3-17)26-15/h4,6-12,14-15,17-21,24H,2-3H2,1H3,(H,22,23)/t6?,7-,8-,9+,10-,11+,12-,14?,15+,16-/m1/s1
SMILES: CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N[C@@H]3CCC[C@@H]([C@@H]3C)C
InChI: InChI=1S/C22H35N3O2/c1-4-27-21-11-6-5-10-20(21)25-14-12-24(13-15-25)16-22(26)23-19-9-7-8-17(2)18(19)3/h5-6,10-11,17-19H,4,7-9,12-16H2,1-3H3,(H,23,26)/p+1/t17-,18-,19+/m0/s1
SMILES: COC1=CC(=C(C(=C1)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)I)O
InChI: InChI=1S/C40H32ClFIN3O7/c1-52-26-17-31(47)34(32(18-26)53-2)35-27-15-16-28-33(38(50)45(36(28)48)25-13-9-23(43)10-14-25)29(27)19-30-37(49)46(44-24-11-7-22(42)8-12-24)39(51)40(30,35)20-3-5-21(41)6-4-20/h3-15,17-18,28-30,33,35,44,47H,16,19H2,1-2H3/t28-,29+,30-,33-,35+,40+/m0/s1
SMILES: C[C@H]1[C@H](OC(=O)N1C(=O)[C@H](CC(=O)O)CC(=O)OC)C2=CC=CC=C2
InChI: InChI=1S/C17H19NO7/c1-10-15(11-6-4-3-5-7-11)25-17(23)18(10)16(22)12(8-13(19)20)9-14(21)24-2/h3-7,10,12,15H,8-9H2,1-2H3,(H,19,20)/t10-,12+,15-/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C29H31NO7/c1-32-28-24(30-29(31)35-18-21-13-7-3-8-14-21)26(33-17-20-11-5-2-6-12-20)25-23(36-28)19-34-27(37-25)22-15-9-4-10-16-22/h2-16,23-28H,17-19H2,1H3,(H,30,31)/t23-,24-,25-,26-,27?,28+/m1/s1
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](CC([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)C=O)C)\C)COCOCC3=CC=CC=C3
InChI: InChI=1S/C38H57NO11/c1-8-32-29(21-47-22-46-20-27-12-10-9-11-13-27)16-23(2)14-15-30(41)24(3)17-28(19-40)37(25(4)31(42)18-33(43)49-32)50-38-36(45)34(39(6)7)35(44)26(5)48-38/h9-16,19,24-26,28-29,31-32,34-38,42,44-45H,8,17-18,20-22H2,1-7H3/b15-14+,23-16+/t24-,25+,26-,28?,29-,31-,32-,34+,35-,36-,37-,38+/m1/s1
SMILES: C[C@H]1C=CC2=C[C@@H]([C@H](C(=O)[C@@H]2[C@H]1CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)CO)C
InChI: InChI=1S/C26H42O5Si/c1-16-8-9-18-12-17(2)22(15-27)25(29)24(18)21(16)11-10-19-13-20(14-23(28)30-19)31-32(6,7)26(3,4)5/h8-9,12,16-17,19-22,24,27H,10-11,13-15H2,1-7H3/t16-,17-,19+,20+,21-,22+,24-/m0/s1
SMILES: CC[C@@H]1[C@@]2(C([C@H](C(=O)[C@@H]([C@@H]([C@@H]([C@@H]([C@H](C(=O)C(C(=O)O1)(CC#CC3=CC4=CC=CC=C4N=C3)F)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)C)OC)C)C)NC(=O)O2)C
InChI: InChI=1S/C42H56FN3O10/c1-11-31-41(7)36(45-40(51)56-41)24(4)32(47)23(3)34(52-10)25(5)35(55-38-33(48)30(46(8)9)19-22(2)53-38)26(6)37(49)42(43,39(50)54-31)18-14-15-27-20-28-16-12-13-17-29(28)44-21-27/h12-13,16-17,20-26,30-31,33-36,38,48H,11,18-19H2,1-10H3,(H,45,51)/t22-,23+,24+,25+,26-,30+,31-,33-,34+,35+,36?,38+,41-,42?/m1/s1
SMILES: CC(=O)OC[C@]1(CC[C@@H]2[C@@H]1CC(C[C@@H]3[C@]2(C3)C)(C)C)O
InChI: InChI=1S/C17H28O3/c1-11(18)20-10-17(19)6-5-13-14(17)9-15(2,3)7-12-8-16(12,13)4/h12-14,19H,5-10H2,1-4H3/t12-,13+,14-,16+,17-/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2C4CCCCO4)C(=O)C=C5[C@@]3(CC[C@@H](C5)O)C
InChI: InChI=1S/C24H36O3/c1-23-10-8-16(25)13-15(23)14-20(26)22-18-7-6-17(21-5-3-4-12-27-21)24(18,2)11-9-19(22)23/h14,16-19,21-22,25H,3-13H2,1-2H3/t16-,17+,18?,19?,21?,22?,23-,24+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@H]([C@@]12CCC(=C2)C)NC(=O)C(C)(C)N3[C@H](CCC3=O)C(=O)OC)C(C)C
InChI: InChI=1S/C25H40N2O4/c1-15(2)18-9-8-17(4)25(13-12-16(3)14-25)21(18)26-23(30)24(5,6)27-19(22(29)31-7)10-11-20(27)28/h14-15,17-19,21H,8-13H2,1-7H3,(H,26,30)/t17-,18+,19-,21-,25-/m1/s1
SMILES: CC(C)C1=C[C@@]23CC[C@@H]4[C@@]([C@H]2C[C@@H]1OO3)(CCC[C@@]4(C)C(=O)OC)C
InChI: InChI=1S/C21H32O4/c1-13(2)14-12-21-10-7-16-19(3,17(21)11-15(14)24-25-21)8-6-9-20(16,4)18(22)23-5/h12-13,15-17H,6-11H2,1-5H3/t15-,16+,17+,19-,20+,21-/m0/s1
SMILES: C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCS)C)\C)OC)(NC(=O)O2)O
InChI: InChI=1S/C35H48ClN3O10S/c1-19-10-9-11-26(46-8)35(44)18-25(47-33(43)37-35)20(2)31-34(4,49-31)27(48-32(42)21(3)38(5)28(40)12-13-50)17-29(41)39(6)23-15-22(14-19)16-24(45-7)30(23)36/h9-11,15-16,20-21,25-27,31,44,50H,12-14,17-18H2,1-8H3,(H,37,43)/b11-9+,19-10+/t20-,21+,25+,26-,27+,31+,34+,35+/m1/s1
SMILES: COC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4CC6=CC=CC=C6)[C@@H](O2)C(C=C5)(OC)OC)Br)C=C1
InChI: InChI=1S/C26H28BrNO4/c1-29-19-10-9-18-15-20-25(27)11-12-26(30-2,31-3)23-24(25,21(18)22(19)32-23)13-14-28(20)16-17-7-5-4-6-8-17/h4-12,20,23H,13-16H2,1-3H3/t20-,23-,24+,25-/m1/s1
SMILES: CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2C[C@@H](OC(=O)C[C@@H](CCOCC[C@@H]3CCO[C@@H](O3)/C=C/C([C@@]1(O2)O)(C)C)O)[C@@H](C)O
InChI: InChI=1S/C36H58O13/c1-6-7-8-9-10-11-30(39)48-34-25(21-31(40)43-5)20-28-23-29(24(2)37)47-32(41)22-26(38)13-17-44-18-14-27-15-19-45-33(46-27)12-16-35(3,4)36(34,42)49-28/h12,16,21,24,26-29,33-34,37-38,42H,6-11,13-15,17-20,22-23H2,1-5H3/b16-12+,25-21+/t24-,26-,27-,28+,29-,33+,34+,36-/m1/s1
SMILES: CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)OC(=O)C)OC)OC)COC(=O)C8=CC=CC=C8N9C(=O)C[C@@H](C9=O)C
InChI: InChI=1S/C45H54N2O13/c1-7-46-21-42(22-58-41(53)26-15-11-12-16-28(26)47-30(49)19-23(2)39(47)51)18-17-29(55-4)44-27-20-43(54)37(59-40(52)25-13-9-8-10-14-25)31(27)45(60-24(3)48,36(50)38(43)57-6)32(35(44)46)33(56-5)34(42)44/h8-16,23,27,29,31-38,50,54H,7,17-22H2,1-6H3/t23-,27+,29-,31+,32+,33-,34+,35?,36-,37+,38-,42-,43+,44-,45+/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)F)N2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H21FN2O5/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: 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)CSC7=NC(=C(O7)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C46H49N3O5S/c1-29-39(28-55-45-48-40(35-8-4-2-5-9-35)42(54-45)36-10-6-3-7-11-36)52-43(53-41(29)37-16-14-31(27-50)15-17-37)38-18-12-30(13-19-38)26-47-44(51)49-46-23-32-20-33(24-46)22-34(21-32)25-46/h2-19,29,32-34,39,41,43,50H,20-28H2,1H3,(H2,47,49,51)/t29-,32?,33?,34?,39+,41+,43+,46?/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@@]13[C@H]([C@H]2C(=O)OC)C(=O)C(=CC3=O)OC
InChI: InChI=1S/C15H18O5/c1-7-4-5-8-11(14(18)20-3)12-13(17)9(19-2)6-10(16)15(7,8)12/h6-8,11-12H,4-5H2,1-3H3/t7-,8-,11-,12+,15-/m0/s1
SMILES: CC[NH+](CC)CC.C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P+](=O)[S-])O
InChI: InChI=1S/C9H12N3O5PS.C6H15N/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(17-8)4-16-18(15)19;1-4-7(5-2)6-3/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14);4-6H2,1-3H3/p+1/t5-,6+,8+;/m0./s1
SMILES: C1=CC=C(C=C1)CN2[C@H]([C@@H]([C@H]([C@@H](N(C2=O)CC3=CC=CC=C3)COC4=CC=CC=C4)O)O)COC5=CC=CC=C5
InChI: InChI=1S/C33H34N2O5/c36-31-29(23-39-27-17-9-3-10-18-27)34(21-25-13-5-1-6-14-25)33(38)35(22-26-15-7-2-8-16-26)30(32(31)37)24-40-28-19-11-4-12-20-28/h1-20,29-32,36-37H,21-24H2/t29-,30-,31-,32-/m0/s1
SMILES: CCCN([C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)O)OCC=C)CCCCO)CCCCO)C(=O)C5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C42H56N2O9/c1-6-18-44(40(48)28-14-16-35-36(23-28)50-26-49-35)37-25-33(43-53-41(3,4)5)31-22-27(12-8-10-19-45)30(13-9-11-20-46)38-32-24-29(47)15-17-34(32)52-42(37,39(31)38)51-21-7-2/h7,14-17,22-24,27,30,37-39,45-47H,2,6,8-13,18-21,25-26H2,1,3-5H3/t27-,30+,37-,38+,39+,42+/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)O4
InChI: InChI=1S/C15H13NO3/c1-8-2-4-9(5-3-8)16-14(17)12-10-6-7-11(19-10)13(12)15(16)18/h2-7,10-13H,1H3/t10-,11+,12-,13+
SMILES: C/C=C/O[C@H]1C[C@@H]([C@H]([C@@H](O1)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C13H20O6/c1-5-6-16-12-7-11(18-9(3)14)13(8(2)17-12)19-10(4)15/h5-6,8,11-13H,7H2,1-4H3/b6-5+/t8-,11-,12+,13-/m0/s1