984 SMILES Strings for Lysosomal acid glucosylceramidase

Compound Name
SMILES String
OC[C@H]1CNC[C@@H](O)[C@@H]1O |r|
CCCC1(CCC)NC[C@@H](O)[C@H](O)[C@H]1CO |r,@:3|
CC1(C)NC[C@@H](O)[C@H](O)[C@H]1CO |r|
C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r|
O[C@@H]1CNC2(CC2)[C@H](CF)[C@H]1O |r|
O[C@@H]1CNC2(CC2)[C@H](C(F)F)[C@H]1O |r|
O[C@@H]1CNC2(CC2)[C@H](CCl)[C@H]1O |r|
COC[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r|
CO[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r|
O[C@@H]1CNC2(CC2)[C@H](C#N)[C@H]1O |r|
O[C@@H]1CNC2(CC2)[C@@H]([C@H]1O)C(O)=O |r|
CNC(=O)[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r|
O[C@@H]1CNC2(CC2)[C@@H]([C@H]1O)C(=O)NC1CC1 |r|
CC[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r|
CCC[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r|
O[C@@H]1CNC2(CC2)[C@H](CCF)[C@H]1O |r|
O[C@@H]1CNC2(CC2)[C@H](CC(F)F)[C@H]1O |r|
O[C@@H]1CNC2(CC2)[C@H](C=C)[C@H]1O |r|
O[C@@H]1CNC2(CC2)[C@H](\C=C/F)[C@H]1O |r|
O[C@@H]1CNC2(CC2)[C@H](\C=C\F)[C@H]1O |r|
[#8]-[#6@@H]-1-[#6]-[#7]C2([#6]-[#6]2)[#6@H](\[#6]=[#6](\F)F)-[#6@H]-1-[#8] |r|
O[C@@H]1CNC2(CC2)[C@H](C#C)[C@H]1O |r|
CC#C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r|
CCC#C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r|
CCCC#C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r|
OCC#C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r|
O[C@@H]1CNC2(CC2)[C@H](C#CCF)[C@H]1O |r|
O[C@@H]1CNC2(CC2)[C@H](C#CC(F)F)[C@H]1O |r|
O[C@@H]1CNC2(CC2)[C@H](C#CCCF)[C@H]1O |r|
O[C@@H]1CNC2(CC2)[C@H](C#CCC(F)F)[C@H]1O |r|
C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1cccnc1
CN(C1Cc2ccccc2C1)c1nc(nc2ccccc12)-c1cccnc1
CN(CC1COc2ccccc2O1)c1nc(nc2ccccc12)-c1cccnc1
CN(Cc1ccccn1)c1nc(nc2ccccc12)-c1cccnc1
CN(CC1COCCO1)c1nc(nc2ccccc12)-c1cccnc1
CN(Cc1cccnc1)c1nc(nc2ccccc12)-c1cccnc1
CN(Cc1ccncc1)c1nc(nc2ccccc12)-c1cccnc1
CN(Cc1cnccn1)c1nc(nc2ccccc12)-c1cccnc1
CN(Cc1cnc2ccccc2n1)c1nc(nc2ccccc12)-c1cccnc1
CN(Cc1ccc2OCOc2c1)c1nc(nc2ccccc12)-c1cccnc1
CN(Cc1ccc2CN(C)Cc2c1)c1nc(nc2ccccc12)-c1cccnc1
CN(Cc1nc2ccccc2s1)c1nc(nc2ccccc12)-c1cccnc1
CN(Cc1nc2ccccc2[nH]1)c1nc(nc2ccccc12)-c1cccnc1
COc1ccccc1CN(C)c1nc(nc2ccccc12)-c1cccnc1
CN(Cc1ccc2ccccc2c1)c1nc(nc2ccccc12)-c1cccnc1
CN(Cc1nc2ccccc2o1)c1nc(nc2ccccc12)-c1cccnc1
CN(Cc1ccc2OCCOc2c1)c1nc(nc2ccccc12)-c1cccnc1
C(Nc1nc(nc2ccccc12)-c1cccnc1)C1COc2ccccc2O1
CN(Cc1ccc2nsnc2c1)c1nc(nc2ccccc12)-c1cccnc1
CC(C)(C)OC(=O)N1CCN(CC1)c1nc(nc2ccccc12)-c1cccnc1
C1CN(CCN1)c1nc(nc2ccccc12)-c1cccnc1
CN(Cc1scc2OCCOc12)c1nc(nc2ccccc12)-c1cccnc1
CC(C)Cc1noc(CN(C)c2nc(nc3ccccc23)-c2cccnc2)n1
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(nc2ccccc12)-c1cccnc1
C(CC1COc2ccccc2O1)Nc1nc(nc2ccccc12)-c1cccnc1
CCN(CC1COc2ccccc2O1)c1nc(nc2ccccc12)-c1cccnc1
O=C(C1COc2ccccc2O1)N1CCN(CC1)c1nc(nc2ccccc12)-c1cccnc1
C(C1COc2ccccc2O1)N1CCN(CC1)c1nc(nc2ccccc12)-c1cccnc1
CN(Cc1ccc(cc1)-n1ccnc1)c1nc(nc2ccccc12)-c1cccnc1
CN(CCC1COc2ccccc2O1)c1nc(nc2ccccc12)-c1cccnc1
CN1CCN(CC1)c1ccc(CNc2nc(nc3ccccc23)-c2cccnc2)cc1
C1CCC(C1)Nc1nc(nc2ccccc12)-c1cccnc1
C1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
CC(C)N1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
C1CC1Nc1nc(nc2ccccc12)-c1cccnc1
C1CC(C1)Nc1nc(nc2ccccc12)-c1cccnc1
C(N1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1)c1ccccc1
CCC1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1 |(34.23,-13.35,;35.56,-14.12,;36.9,-13.35,;36.9,-11.81,;38.23,-11.05,;39.57,-11.81,;39.57,-13.36,;38.23,-14.13,;40.9,-11.04,;40.9,-9.5,;42.23,-8.72,;42.22,-7.17,;40.89,-6.41,;39.56,-7.19,;38.22,-6.42,;36.9,-7.19,;36.89,-8.74,;38.23,-9.51,;39.56,-8.73,;43.55,-6.4,;44.88,-7.16,;46.21,-6.39,;46.2,-4.85,;44.86,-4.08,;43.53,-4.87,)|
CC1CCCCC1Nc1nc(nc2ccccc12)-c1cccnc1
CC1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1 |(20.3,-13.1,;21.63,-12.33,;21.64,-10.79,;22.96,-10.02,;24.3,-10.78,;24.31,-12.33,;22.97,-13.1,;25.63,-10.01,;25.63,-8.47,;26.96,-7.7,;26.95,-6.15,;25.62,-5.39,;24.29,-6.16,;22.96,-5.4,;21.63,-6.17,;21.63,-7.71,;22.96,-8.48,;24.29,-7.7,;28.28,-5.37,;29.62,-6.14,;30.94,-5.36,;30.94,-3.82,;29.59,-3.06,;28.27,-3.84,)|
C(Nc1nc(nc2ccccc12)-c1cccnc1)c1ccccc1
C(CNc1nc(nc2ccccc12)-c1cccnc1)Cc1ccccc1
C(CCc1ccccc1)CNc1nc(nc2ccccc12)-c1cccnc1
Fc1cccc(CCNc2nc(nc3ccccc23)-c2cccnc2)c1
CN(C1CCCCC1)c1nc(nc2ccccc12)-c1cccnc1
C(Nc1nc(nc2ccccc12)-c1cccnc1)C1CCCCC1
C1CCCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
CN(CCc1cccc(F)c1)c1nc(nc2ccccc12)-c1cccnc1
C(Cc1ccccc1)Nc1nc(nc2ccccc12)-c1cccnc1
COC1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1 |(62.32,-14.11,;63.65,-14.88,;64.99,-14.12,;64.99,-12.58,;66.32,-11.81,;67.65,-12.57,;67.66,-14.12,;66.32,-14.89,;68.98,-11.8,;68.98,-10.26,;70.32,-9.49,;70.31,-7.94,;68.97,-7.18,;67.64,-7.95,;66.31,-7.19,;64.98,-7.96,;64.98,-9.5,;66.31,-10.27,;67.65,-9.49,;71.64,-7.16,;72.97,-7.93,;74.3,-7.15,;74.29,-5.61,;72.94,-4.85,;71.62,-5.63,)|
C1COCC(C1)Nc1nc(nc2ccccc12)-c1cccnc1
C(CC1CCCCC1)Nc1nc(nc2ccccc12)-c1cccnc1
C1CC2CCC1N2c1nc(nc2ccccc12)-c1cccnc1
FC1(F)CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
C1Cc2ccccc2CC1Nc1nc(nc2ccccc12)-c1cccnc1
C1Cc2ccccc2C1Nc1nc(nc2ccccc12)-c1cccnc1
C1CC(Nc2nc(nc3ccccc23)-c2cccnc2)c2ccccc2C1
C(Cc1ccccn1)Nc1nc(nc2ccccc12)-c1cccnc1
C(Cc1cccnc1)Nc1nc(nc2ccccc12)-c1cccnc1
Nc1ccc(CCNc2nc(nc3ccccc23)-c2cccnc2)cc1
C(Cc1c[nH]c2ccccc12)Nc1nc(nc2ccccc12)-c1cccnc1
Cc1ccc(CCNc2nc(nc3ccccc23)-c2cccnc2)cc1
CN(C1CCc2ccccc2C1)c1nc(nc2ccccc12)-c1cccnc1
C1CCCC(CCC1)Nc1nc(nc2ccccc12)-c1cccnc1
C1CC2CC1CC2Nc1nc(nc2ccccc12)-c1cccnc1
C1C2CC3CC1CC(C2)(C3)Nc1nc(nc2ccccc12)-c1cccnc1 |TLB:4:3:8:0.6.5,10:7:2:0.4.5,THB:4:5:8:3.2.9,6:7:2:0.4.5,6:5:2:8.7.9|
C1Cc2ccccc2C[C@H]1Nc1nc(nc2ccccc12)-c1cccnc1 |r|
C1Cc2ccccc2C[C@@H]1Nc1nc(nc2ccccc12)-c1cccnc1 |r|
C(C1CCCCN1c1nc(nc2ccccc12)-c1cccnc1)c1ccccc1
CN([C@H]1CCc2ccccc2C1)c1nc(nc2ccccc12)-c1cccnc1 |r|
CC1(C)CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
CC1CCCC(C1)Nc1nc(nc2ccccc12)-c1cccnc1
C(C1CCCN(C1)c1nc(nc2ccccc12)-c1cccnc1)c1ccccc1
Ic1ccc2CC(Cc2c1)Nc1nc(nc2ccccc12)-c1cccnc1
C[C@H]1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1 |r,wD:1.0,(4.4,-3.62,;3.07,-2.85,;3.07,-1.31,;1.74,-.54,;.4,-1.31,;.4,-2.85,;1.74,-3.62,;-.93,-.54,;-.93,1,;.4,1.77,;.4,3.31,;-.93,4.08,;-2.26,3.31,;-3.6,4.08,;-4.93,3.31,;-4.93,1.77,;-3.6,1,;-2.26,1.77,;1.74,4.08,;3.07,3.31,;4.4,4.08,;4.4,5.62,;3.07,6.39,;1.74,5.62,)|
Cc1ccncc1-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1
Cc1cncc(c1)-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1
Cc1ccc(cn1)-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1
C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccccc1
C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccncc1
C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1cccs1
C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1
C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccco1
Cc1ccc(OCCNc2nc(nc3ccccc23)-c2cccnc2)cc1
C(CNc1nc(nc2ccccc12)-c1cccnc1)COc1ccccc1
CC(CNc1nc(nc2ccccc12)-c1cccnc1)Oc1ccccc1
C1Cc2[nH]c3ccccc3c2CN1c1nc(nc2ccccc12)-c1cccnc1
C1Cc2c(CN1c1nc(nc3ccccc13)-c1cccnc1)[nH]c1ccccc21
CCCCCCCCNc1nc(nc2ccccc12)-c1cccnc1
CC(C)(C)OC(=O)NCCC#Cc1ccc2CC(Cc2c1)Nc1nc(nc2ccccc12)-c1cccnc1
CC(COc1ccccc1)Nc1nc(nc2ccccc12)-c1cccnc1
Oc1ccc2CC[C@@H](Cc2c1)Nc1nc(nc2ccccc12)-c1cccnc1 |r|
NCCC#Cc1ccc2CC(Cc2c1)Nc1nc(nc2ccccc12)-c1cccnc1
Brc1ccc2CC(Cc2c1)Nc1nc(nc2ccccc12)-c1cccnc1
CN(CCOc1ccc(I)cc1)c1nc(nc2ccccc12)-c1cccnc1
C(CCCCCNc1nc(nc2ccccc12)-c1cccnc1)CCCCNc1nc(nc2ccccc12)-c1cccnc1
CN(CCOc1ccc(cc1)C#CCCCCCCC#Cc1ccc(OCCN(C)c2nc(nc3ccccc23)-c2cccnc2)cc1)c1nc(nc2ccccc12)-c1cccnc1
C#CCOCCOCCNc1nc(nc2ccccc12)-c1cccnc1
C1CN(Cc2ccccc2O1)c1nc(nc2ccccc12)-c1cccnc1
COC(=O)CCCCCCCCCCc1ccc(OCCN(C)c2nc(nc3ccccc23)-c2cccnc2)cc1
CN(C1CCCC1)c1nc(nc2ccccc12)-c1cccnc1
CN(CCCc1ccccc1)c1nc(nc2ccccc12)-c1cccnc1
CN(CCCCc1ccccc1)c1nc(nc2ccccc12)-c1cccnc1
CN(C1CCCCCC1)c1nc(nc2ccccc12)-c1cccnc1
CN(CCc1ccccc1)c1nc(nc2ccccc12)-c1cccnc1
CN(CCOc1ccccc1)c1nc(Cl)nc2ccccc12
CN(CCOc1ccccc1)c1nc(nc2ccccc12)-c1cncnc1
CN(CCOc1ccccc1)c1nc(nc2ccccc12)-c1ccccc1F
CN(CCOc1ccccc1)c1nc(nc2ccccc12)-c1ccncc1
CN(CCOc1ccccc1)c1nc(nc2ccccc12)-c1ccco1
CN(CCOc1ccccc1)c1nc(nc2ccccc12)-c1ccoc1
COc1ccccc1OCCN(C)c1nc(nc2ccccc12)-c1cccnc1
CN(CCOc1ccc(C)cc1)c1nc(nc2ccccc12)-c1cccnc1
CN(CCCOc1ccccc1)c1nc(nc2ccccc12)-c1cccnc1
CC(CN(C)c1nc(nc2ccccc12)-c1cccnc1)Oc1ccccc1
CC(COc1ccccc1)N(C)c1nc(nc2ccccc12)-c1cccnc1
C(COCc1ccccc1)Nc1nc(nc2ccccc12)-c1cccnc1
CN(CCOCc1ccccc1)c1nc(nc2ccccc12)-c1cccnc1
Nc1ccc(cc1)-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1
CC(C)(C)OC(=O)NCCCCCC(=O)Nc1ccc(cc1)-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1
CC(C)(C)OC(=O)NCCOCCOCC(=O)Nc1ccc(cc1)-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1
NCCCCCC(=O)Nc1ccc(cc1)-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1
CN(CCOc1ccc(cc1)C#N)c1nc(nc2ccccc12)-c1cccnc1
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCC(=O)NCCCCCC(=O)Nc1ccc(cc1)-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1 |r|
CN(C)c1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCCCCC(=O)Nc3ccc(cc3)-c3nc(NC4Cc5ccccc5C4)c4ccccc4n3)c3ccc(cc3oc2c1)=[N+](C)C |(11.34,-5.32,;10,-4.55,;8.67,-5.32,;10,-3.01,;8.67,-2.24,;8.67,-.7,;10,.07,;10,1.61,;8.67,2.38,;7.34,1.61,;6,2.38,;6,3.92,;7.34,4.69,;8.72,3.95,;10.05,4.72,;10.05,6.26,;11.56,4.4,;4.67,4.69,;4.67,6.23,;3.33,3.92,;2,4.69,;.67,3.92,;-.67,4.69,;-2,3.92,;-3.33,4.69,;-4.67,3.92,;-4.67,2.38,;-6,4.69,;-7.34,3.92,;-8.67,4.69,;-10,3.92,;-10,2.38,;-8.67,1.61,;-7.34,2.38,;-11.34,1.61,;-11.34,.07,;-12.67,-.7,;-12.67,-2.24,;-11.34,-3.01,;-11.34,-4.55,;-9.87,-5.02,;-9.25,-6.43,;-7.71,-6.59,;-6.81,-5.34,;-7.43,-3.94,;-8.97,-3.78,;-9.87,-2.53,;-14,.07,;-15.34,-.7,;-16.67,.07,;-16.67,1.61,;-15.34,2.38,;-14,1.61,;-12.67,2.38,;11.34,2.38,;11.34,3.92,;12.67,4.69,;14,3.92,;14,2.38,;12.67,1.61,;12.67,.07,;11.34,-.7,;11.34,-2.24,;15.34,4.69,;16.67,3.92,;15.34,6.23,)|
CN(C)c1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCOCCOCC(=O)Nc3ccc(cc3)-c3nc(NC4Cc5ccccc5C4)c4ccccc4n3)c3ccc(cc3oc2c1)=[N+](C)C |(12.67,-5.32,;11.34,-4.55,;10,-5.32,;11.34,-3.01,;10,-2.24,;10,-.7,;11.34,.07,;11.34,1.61,;10,2.38,;8.67,1.61,;7.34,2.38,;7.34,3.92,;8.67,4.69,;10.05,3.95,;11.38,4.72,;12.89,4.4,;11.38,6.26,;6,4.69,;6,6.23,;4.67,3.92,;3.33,4.69,;2,3.92,;.67,4.69,;-.67,3.92,;-2,4.69,;-3.33,3.92,;-4.67,4.69,;-6,3.92,;-6,2.38,;-7.34,4.69,;-8.67,3.92,;-10,4.69,;-11.34,3.92,;-11.34,2.38,;-10,1.61,;-8.67,2.38,;-12.67,1.61,;-12.67,.07,;-14,-.7,;-14,-2.24,;-12.67,-3.01,;-12.67,-4.55,;-11.21,-5.02,;-10.58,-6.43,;-9.05,-6.59,;-8.14,-5.34,;-8.77,-3.94,;-10.3,-3.78,;-11.21,-2.53,;-15.34,.07,;-16.67,-.7,;-18,.07,;-18,1.61,;-16.67,2.38,;-15.34,1.61,;-14,2.38,;12.67,2.38,;12.67,3.92,;14,4.69,;15.34,3.92,;15.34,2.38,;14,1.61,;14,.07,;12.67,-.7,;12.67,-2.24,;16.67,4.69,;18,3.92,;16.67,6.23,)|
CN(C)c1ccc2c(-c3ccc(cc3OC=O)C(=O)NCCOCCOCCOCCOCCC(=O)NCCCCCC(=O)Nc3ccc(cc3)-c3nc(NC4Cc5ccccc5C4)c4ccccc4n3)c3ccc(cc3oc2c1)=[N+](C)C |(16,7.57,;16,6.03,;17.34,5.26,;14.67,5.26,;13.34,6.03,;12,5.26,;12,3.72,;10.67,2.95,;9.34,3.72,;9.34,5.26,;8,6.03,;6.67,5.26,;6.67,3.72,;8,2.89,;8,1.35,;6.67,.58,;5.33,1.35,;5.33,6.03,;5.33,7.57,;4,5.26,;2.67,6.03,;1.33,5.26,;,6.03,;-1.33,5.26,;-2.67,6.03,;-4,5.26,;-5.33,6.03,;-6.67,5.26,;-8,6.03,;-9.34,5.26,;-10.67,6.03,;-12,5.26,;-13.34,6.03,;-14.67,5.26,;-16,6.03,;-16,7.57,;-17.34,5.26,;-17.34,3.72,;-16,2.95,;-14.67,3.72,;-13.34,2.95,;-12,3.72,;-10.67,2.95,;-10.67,1.41,;-9.34,3.72,;-8,2.95,;-6.67,3.72,;-5.33,2.95,;-5.33,1.41,;-6.67,.64,;-8,1.41,;-4,.64,;-4,-.9,;-2.67,-1.67,;-2.67,-3.21,;-4,-3.98,;-4,-5.52,;-5.47,-6,;-6.09,-7.41,;-7.62,-7.57,;-8.53,-6.32,;-7.9,-4.91,;-6.37,-4.75,;-5.47,-3.51,;-1.33,-.9,;,-1.67,;1.33,-.9,;1.33,.64,;,1.41,;-1.33,.64,;-2.67,1.41,;10.67,1.41,;9.34,.64,;9.34,-.9,;10.67,-1.67,;12,-.9,;12,.64,;13.34,1.41,;13.34,2.95,;14.67,3.72,;10.67,-3.21,;9.34,-3.98,;12,-3.98,)|
CC(F)C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1 |r|
C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O
CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
CCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
C[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
CCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
CCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
CCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
CCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
CCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCCC(=O)NC12CC3CC(CC(C3)C1)C2 |r,TLB:26:17:24:20.21.22,16:17:20:24.22.23,16:17:24:20.21.22,THB:26:21:24:18.25.17,25:23:20:18.26.17,25:17:20:24.22.23|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCCCC(=O)NC12CC3CC(CC(C3)C1)C2 |r,TLB:27:18:25:21.22.23,17:18:21:25.23.24,17:18:25:21.22.23,THB:27:22:25:19.26.18,26:24:21:19.27.18,26:18:21:25.23.24|
OC[C@H]1CN(CCCC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H](O)[C@@H]1O |r,TLB:20:11:18:14.15.16,10:11:14:18.16.17,10:11:18:14.15.16,THB:20:15:18:12.19.11,19:17:14:12.20.11,19:11:14:18.16.17|
OC[C@H]1CN(CCCCC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H](O)[C@@H]1O |r,TLB:21:12:19:15.16.17,11:12:15:19.17.18,11:12:19:15.16.17,THB:21:16:19:13.20.12,20:18:15:13.21.12,20:12:15:19.17.18|
OC[C@H]1CN(CCCCCC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H](O)[C@@H]1O |r,TLB:22:13:20:16.17.18,12:13:16:20.18.19,12:13:20:16.17.18,THB:22:17:20:14.21.13,21:19:16:14.22.13,21:13:16:20.18.19|
Cc1cc(nc2ccc(NC(=O)C3CCCCC3)cc12)N1CCOCC1
CC1CCC(CC1)C(=O)Nc1ccc2nc(cc(C)c2c1)N1CCOCC1 |(-13.36,6.94,;-12.03,6.17,;-10.69,6.94,;-9.36,6.17,;-9.36,4.63,;-10.69,3.86,;-12.03,4.63,;-8.03,3.86,;-8.03,2.32,;-6.69,4.63,;-5.36,3.86,;-5.36,2.32,;-4.03,1.55,;-2.69,2.32,;-1.36,1.55,;-.02,2.32,;-.02,3.86,;-1.36,4.63,;-1.36,6.17,;-2.69,3.86,;-4.03,4.63,;1.31,1.55,;1.31,.01,;2.64,-.76,;3.98,.01,;3.98,1.55,;2.64,2.32,)|
CCCC1CCC(CC1)C(=O)Nc1ccc2nc(cc(C)c2c1)N1CCOCC1 |(-16.03,6.94,;-14.69,6.17,;-13.36,6.94,;-12.03,6.17,;-10.69,6.94,;-9.36,6.17,;-9.36,4.63,;-10.69,3.86,;-12.03,4.63,;-8.03,3.86,;-8.03,2.32,;-6.69,4.63,;-5.36,3.86,;-5.36,2.32,;-4.03,1.55,;-2.69,2.32,;-1.36,1.55,;-.02,2.32,;-.02,3.86,;-1.36,4.63,;-1.36,6.17,;-2.69,3.86,;-4.03,4.63,;1.31,1.55,;1.31,.01,;2.64,-.76,;3.98,.01,;3.98,1.55,;2.64,2.32,)|
Cc1cc(nc2ccc(NC(=O)C3CC3)cc12)N1CCOCC1
CC1CCC(CC1)C(=O)Nc1ccc2nc(cc(C)c2c1)N1CCC(C)CC1 |(-13.5,6.68,;-12.12,6,;-10.84,6.85,;-9.46,6.17,;-9.36,4.63,;-10.64,3.78,;-12.02,4.46,;-8.03,3.86,;-8.03,2.32,;-6.69,4.63,;-5.36,3.86,;-5.36,2.32,;-4.03,1.55,;-2.69,2.32,;-1.36,1.55,;-.02,2.32,;-.02,3.86,;-1.36,4.63,;-1.36,6.17,;-2.69,3.86,;-4.03,4.63,;1.31,1.55,;1.31,.01,;2.64,-.76,;3.98,.01,;5.31,-.76,;3.98,1.55,;2.64,2.32,)|
CC1CCC(CC1)C(=O)Nc1ccc2nc(cc(C)c2c1)N1CCCCC1 |(-13.5,6.68,;-12.12,6,;-10.84,6.85,;-9.46,6.17,;-9.36,4.63,;-10.64,3.78,;-12.02,4.46,;-8.03,3.86,;-8.03,2.32,;-6.69,4.63,;-5.36,3.86,;-5.36,2.32,;-4.03,1.55,;-2.69,2.32,;-1.36,1.55,;-.02,2.32,;-.02,3.86,;-1.36,4.63,;-1.36,6.17,;-2.69,3.86,;-4.03,4.63,;1.31,1.55,;1.31,.01,;2.64,-.76,;3.98,.01,;3.98,1.55,;2.64,2.32,)|
CCN(CC)c1cc(C)c2cc(NC(=O)C3CCC(C)CC3)ccc2n1 |(2.64,-.76,;1.31,.01,;1.31,1.55,;2.64,2.32,;3.98,1.55,;-.02,2.32,;-.02,3.86,;-1.36,4.63,;-1.36,6.17,;-2.69,3.86,;-4.03,4.63,;-5.36,3.86,;-6.69,4.63,;-8.03,3.86,;-8.03,2.32,;-9.36,4.63,;-9.46,6.17,;-10.84,6.85,;-12.12,6,;-13.5,6.68,;-12.02,4.46,;-10.64,3.78,;-5.36,2.32,;-4.03,1.55,;-2.69,2.32,;-1.36,1.55,)|
CC1CCC(CC1)C(=O)Nc1ccc2nc(cc(C)c2c1)N1CCN(CC1)c1ncccn1 |(-13.5,6.68,;-12.12,6,;-10.84,6.85,;-9.46,6.17,;-9.36,4.63,;-10.64,3.78,;-12.02,4.46,;-8.03,3.86,;-8.03,2.32,;-6.69,4.63,;-5.36,3.86,;-5.36,2.32,;-4.03,1.55,;-2.69,2.32,;-1.36,1.55,;-.02,2.32,;-.02,3.86,;-1.36,4.63,;-1.36,6.17,;-2.69,3.86,;-4.03,4.63,;1.31,1.55,;2.66,2.3,;3.98,1.5,;3.95,-.04,;2.6,-.78,;1.28,.01,;5.27,-.84,;6.57,-.02,;7.93,-.75,;7.98,-2.29,;6.67,-3.1,;5.32,-2.37,)|
CC1CCC(CC1)C(=O)Nc1ccc2nc(Nc3cccc(Cl)c3)cc(C)c2c1 |(-13.5,6.68,;-12.12,6,;-10.84,6.85,;-9.46,6.17,;-9.36,4.63,;-10.64,3.78,;-12.02,4.46,;-8.03,3.86,;-8.03,2.32,;-6.69,4.63,;-5.36,3.86,;-5.36,2.32,;-4.03,1.55,;-2.69,2.32,;-1.36,1.55,;-.02,2.32,;1.31,1.55,;1.28,.01,;-.03,-.8,;.02,-2.34,;1.37,-3.07,;2.68,-2.26,;4.04,-2.99,;2.64,-.72,;-.02,3.86,;-1.36,4.63,;-1.36,6.17,;-2.69,3.86,;-4.03,4.63,)|
CCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1
Cc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)no1
CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
CCc1nnc(NC(=O)c2ccc(cc2)N(C)S(=O)(=O)c2ccccc2)s1
CN(c1ccc(cc1)C(=O)Nc1cc(C)on1)S(=O)(=O)c1ccccc1
Clc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)Nc1nccs1
CN(c1ccc(cc1)C(=O)Nc1nccs1)S(=O)(=O)c1ccccc1
O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
COc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCC1
Cc1cccc(Nc2nc(NCCO)nc(n2)N2CCCC2)c1
OCCNc1nc(Nc2ccc(Cl)cc2)nc(n1)N1CCCC1
Cc1cccc(Nc2nc(NCCO)nc(n2)N2CCOCC2)c1
OCCNc1nc(Nc2ccc(Cl)cc2)nc(n1)N1CCOCC1
CCCCNc1nc(Nc2cc(Cl)ccc2OC)nc(n1)N1CCCC1
COc1ccccc1Nc1nc(NCC(C)O)nc(n1)N1CCCC1
COc1ccccc1Nc1nc(NCC(O)Cc2ccccc2)nc(n1)N1CCCC1
COc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCOCC1
COc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCCC1
CCCCNc1nc(NCCO)nc(Nc2ccccc2OC)n1
COc1ccccc1Nc1nc(NCCO)nc(NCc2ccccc2)n1
COc1ccccc1Nc1nc(NCCO)nc(n1)N1CCC(F)(F)C1
COc1ccccc1Nc1nc(NCCO)nc(n1)N1CCC1
Cc1ccccc1Nc1nc(NCCO)nc(n1)N1CCCC1
Cc1ccc(Nc2nc(NCCO)nc(n2)N2CCCC2)cc1
OCCNc1nc(Nc2ccccc2Cl)nc(n1)N1CCCC1
OCCNc1nc(Nc2cccc(Cl)c2)nc(n1)N1CCCC1
COc1ccccc1Nc1nc(NCCO)nc(n1)N1CCCC1
COc1cccc(Nc2nc(NCCO)nc(n2)N2CCCC2)c1
COc1ccc(Nc2nc(NCCO)nc(n2)N2CCCC2)cc1
OCCNc1nc(Nc2ccccc2O)nc(n1)N1CCCC1
CCOc1ccccc1Nc1nc(NCCO)nc(n1)N1CCCC1
OCCNc1nc(Nc2ccccc2Oc2ccccc2)nc(n1)N1CCCC1
CC(C)(C)Oc1ccccc1Nc1nc(NCCO)nc(n1)N1CCCC1
OCCNc1nc(Nc2ccccc2OCc2ccccc2)nc(n1)N1CCCC1
OCCNc1nc(Nc2ccccc2OC(F)(F)F)nc(n1)N1CCCC1
CSc1ccccc1Nc1nc(NCCO)nc(n1)N1CCCC1
COc1ccc(OC)c(Nc2nc(NCCO)nc(n2)N2CCCC2)c1
COc1ccc(Nc2nc(NCCO)nc(n2)N2CCCC2)c(OC)c1
COc1ccc(cc1Nc1nc(NCCO)nc(n1)N1CCCC1)C(F)(F)F
COc1ccc(cc1Nc1nc(NCCO)nc(n1)N1CCCC1)-c1ccccc1
OCCNc1nc(Nc2cc(Cl)ccc2O)nc(n1)N1CCCC1
OCCNc1nc(Nc2cc(ccc2O)-c2ccccc2)nc(n1)N1CCCC1
CCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCC1
CC(C)Oc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCC1
CC(C)(C)Oc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCC1
OCCNc1nc(Nc2ccccc2)nc(n1)N1CCCC1
CC1=CC(C)=[N+]2C1=C(CCCCc1cn(C[C@H]3[C@H]4O[C@H]4[C@H](O)[C@@H](O)[C@@H]3O)nn1)c1c(C)cc(C)n1[B-]2(F)F |c:4,7,t:1|
COc1ccc(cc1)C1=[N+]2C(C=C1)=C(CCCCc1cn(C[C@H]3[C@H]4O[C@H]4[C@H](O)[C@@H](O)[C@@H]3O)nn1)c1ccc(-c3ccc(OC)cc3)n1[B-]2(F)F |c:12,t:9,14|
OC[C@H]1[C@H]2O[C@H]2[C@H](O)[C@@H](O)[C@@H]1O
O[C@H]1[C@@H]2O[C@@H]2[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H]1O
O[C@H]1[C@H]2O[C@H]2[C@H](O)[C@@H](O)[C@@H]1O
Cc1nc2sccn2c1-c1csc(Nc2cc(C)ccn2)n1
CCc1ccc(NC(=O)Cn2c(SC)nc3ccccc23)cc1
CC(C)Oc1cccc(c1)C(=O)Nc1ccccc1N1CCOCC1
OC(COCC1CCC=CC1)Cn1cnc2ccccc12 |c:8|
COCCNC(=O)C(N(CC=C)C(=O)Cn1nnc2ccccc12)c1ccc(OC)cc1OC
O=C(NCc1ccco1)c1ccc(cc1)S(=O)(=O)NCC1CCCO1
CCOc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccc(O)cc1 |(6.45,-3.11,;6.45,-1.57,;7.78,-.8,;9.12,-1.57,;9.12,-3.11,;10.45,-3.88,;11.79,-3.11,;11.79,-1.57,;10.45,-.8,;10.45,.74,;9.21,1.64,;7.74,1.17,;6.6,2.2,;5.13,1.72,;3.99,2.75,;4.81,.22,;9.68,3.11,;11.22,3.11,;11.7,1.64,;13.16,1.17,;13.48,-.34,;14.95,-.81,;16.09,.22,;17.56,-.26,;15.77,1.72,;14.31,2.2,)|
Fc1ccc2[nH]c3nc(SCC(=O)OCc4ccccc4)nnc3c2c1
CC(CS(=O)(=O)c1cccc2cccnc12)N1CCCCC1
Cc1nc(C)c(s1)-c1csc(NCc2ccco2)n1
CCOC(=O)COc1ccc(cc1)-c1nnc(o1)-c1ccccc1
CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1cccs1
COc1ccc(cc1)S(=O)(=O)NCC(=O)N(CC(=O)NCC1CCCO1)c1ccccc1C
COCCCNC(=O)Cn1cc(C(=O)C2CC2)c2ccccc12
CC(C)CCn1nnnc1C(N1CCC(CC1)C(N)=O)c1ccccc1
O=C(CNC(=O)c1cccs1)N(C(C(=O)NC1CCCC1)c1ccco1)c1cccnc1
CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccc(C)cc2)c1
CCN1CCN(CC1)c1nc(nc2ccccc12)-c1cccnc1
Cc1ccc(C)c(c1)C(=O)C1C(N(CCCn2ccnc2)C(=O)C1=O)c1ccncc1
Cc1nonc1NC(=O)CSc1nc2cc(Cl)ccc2c2CCCCc12
COc1ccc(CNC(=O)CN(CC2CCCO2)C(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1
CCN1CCN(CC1)C(c1nnnn1C(C)(C)C)c1ccc(OC)c(OC)c1
CC(C)(C)NC(=O)CSc1nncn1NCc1ccccc1
O=C(OCCN1CCCCC1)c1cc2ccccc2o1
COCCCn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccco1
COc1ccc(OC)c(Nc2nc(cs2)-c2sc(N)nc2C)c1
CC(C)CC(N1CCN(CC1)C1CCCC1)c1nnnn1CC1CCCO1
Cc1cc(no1)-c1nnc(SCc2cccnc2)o1
COc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)N(C)C)cc1
COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)NCC1CCCO1)c1ccccc1
Oc1cc(Cc2ccccc2)c(O)n1-c1ccc(Cl)cn1
CC(C)(C)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1
Cc1ccn2cc(nc2c1)C(=O)Nc1ccccc1N1CCOCC1
CCOC(=O)C1(Cc2ccc(O)cc2)NC(C2C1C(=O)N(C)C2=O)c1ccccc1F
Cc1cc(C)cc(c1)N1CCN(CC1)C(=O)N1CCOCC1
CCCCNC(=O)C1CCCN1C(=O)Nc1cccc(OC)c1
Clc1ccccc1Cn1cnc2c(C#N)c3CCCCCn3c2c1=O
COC(=O)CN1C(=O)C2(OCCCO2)c2cc(Br)ccc12
C=CCn1c(n[nH]c1=S)-c1c[nH]c2ccccc12
CCC(C)NC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
CC(C)Cn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc12
Cc1ccccc1OCC(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1
CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1N
Cc1nc(SCC(=O)Nc2ccc3OCCOc3c2)c2oc3ccccc3c2n1
Fc1cccc(NC(=O)CSc2ncnc3c4ccccc4oc23)c1
COc1ccc(cc1)S(=O)(=O)C(C#N)c1nc2ccccc2nc1N1CCCCC1
CCC(C)n1cnc2n(Cc3ccc4OCOc4c3)c3nc4ccccc4nc3c2c1=O
Cc1cc(C)nc(Sc2nc(C)nc3c4ccccc4oc23)n1
CCOc1ccc(cc1OCC)-c1noc(n1)-c1ccncc1
C(Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1nc2ccccc2s1
CCCc1cc(=O)[nH]c(SCC(=O)CSc2nc(CCC)cc(=O)[nH]2)n1
Cc1ccc(C)n1-c1ccc(cc1)C(=O)NCC1CCCO1
CCCCOc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccccc1
COc1ccc2N(C(C)=O)S(=O)(=O)c3ccccc3-c2c1
Cc1ccc(cc1)C(N1CCCC1)C(=O)NC1CCCCC1
Cc1nonc1NC(=O)OCCN1CCOC1=O
COc1ccc(CNC(=O)CCCNS(=O)(=O)c2cccc3nonc23)cc1
CN(C)c1ccc(cc1)-c1nc2ccccc2n1C
Brc1ccc(cc1)S(=O)(=O)CCC(=O)N1CCN(Cc2ccccc2)CC1
CC1=Nc2nc(nn2C(C1C(N)=O)c1cccs1)-c1cccc(C)c1 |t:1|
COC(=O)c1cn(NC(=O)c2ccncc2)c(=O)c2ccccc12
CC1CCCCN1C(=O)CSc1nc2cc3OCOc3cc2c(=O)n1Cc1ccc2OCOc2c1
CCN1CCN(CCCNC(=O)c2cc3cc4ccc(OC)cc4nc3o2)CC1
COc1cc2c(cn(C)c(=O)c2cc1OC)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
CCOc1ccccc1CNS(=O)(=O)c1ccc2[nH]c(=O)sc2c1
COc1cccc(c1)N1C(=O)Nc2ccccc2C1(O)C(=O)NCc1ccc2OCOc2c1
Cc1ccccc1NC(=O)Nc1cccs1
CC(=O)c1ccc2Sc3ccccc3Nc2c1
OC(=O)c1ccc2C(=O)OC(c2c1)c1ccccc1
CC1=Nc2nnnn2C(C1C(=O)Nc1cccnc1)c1ccncc1 |t:1|
CCN(CC)c1nc2cc(OC)ccc2cc1C#N
COCc1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C2CCCCC2)o1
CN(CC(=O)Nc1nc2c(C)cccc2s1)S(=O)(=O)c1cccs1
O=C(CCCn1c(=S)[nH]c2cc3OCOc3cc2c1=O)N1CCN(CC1)c1ncccn1
COC(=O)CN1CCN(C(=O)c2ccc(F)cc2)c2ccccc2C1
CN(C)CCCNC(=O)C1(O)N(C(=O)Nc2ccc(Br)cc12)c1ccc(C)c(C)c1
Cc1ccc(cc1)-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O
CCOC(=O)C1CCN(CC1)C(=O)c1ccc(NC(=O)C2CCCO2)cc1
CCOC(=O)NC(CC(O)=O)c1ccc(OCC)cc1
COc1ccc(NC(=O)CN2CCN(CC2)S(=O)(=O)c2ccc(cc2)C(C)C)cc1OC
CC(=O)N1C(CSC1c1cccc(C)c1)C(O)=O
Brc1ccc(s1)C1=Nn2c(SC1)nnc2-c1cccnc1 |t:7|
Cc1ccc(C)c(NC(=O)C2CC(O)CN2C(=O)OC(C)(C)C)c1
Nc1nonc1-c1noc(CCCCCN2C(=O)c3ccccc3C2=O)n1
Cc1c(C)c(=O)oc2c(C)c3oc4CCCCc4c3cc12
CC(=O)N1CCc2cc(ccc12)S(=O)(=O)CCC(=O)N1CCN(CC1)C(=O)c1ccco1
CCC(Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1nc2CCCCc2s1
CC1CCCCN1CCNS(=O)(=O)c1cc(Br)cc2CCN(C(C)=O)c12
CCN(CC)CCCNC(=O)c1cc(on1)-c1cccc(Cl)c1
O=S(=O)(NCc1csc(n1)-c1cccnc1)c1ccc2OCCOc2c1
COc1cccc(c1)-c1cc(nc(NCc2ccco2)n1)C(F)(F)F
CN(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1cccc2nsnc12
CC1(C)CC(=O)N(CC(O)=O)c2ccccc2S1
O=C(CCS(=O)(=O)c1cccc2nonc12)N1CCCc2ccccc12
ONC(=N)c1nc(nc(n1)N1CCCCC1)N1CCCCC1
CC(N=O)c1ccc2c(c1)n(C)c1ccccc21
Cc1cccn2c1nc(NCCO)c(C=Nc1ccc(Cl)cc1)c2=O |w:15.16|
Cc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCc1ccco1
CC(C)n1c2c([nH]c1=S)n(C)c(=O)[nH]c2=O
CN(c1cc(C)ccc1C)S(=O)(=O)c1cccc2nsnc12
O=C(CCNS(=O)(=O)c1cccc2nsnc12)NC1CCN(Cc2ccccc2)CC1
FC(F)(F)c1ccc(N2CCOCC2)c(Nc2nc3ccccc3n3cnnc23)c1
Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(O)=O
Clc1ccc(NC(=O)NCCCn2ccnc2)cc1
CC(C)C(NC(=O)C1CCC(C)CC1)C(=O)NCCCN1CCOCC1 |(4.41,1.54,;4.41,,;3.08,-.77,;5.75,-.77,;5.75,-2.31,;4.41,-3.08,;3.08,-2.31,;4.41,-4.62,;3.08,-5.39,;3.08,-6.93,;4.41,-7.7,;4.41,-9.24,;5.75,-6.93,;5.75,-5.39,;7.08,,;8.41,-.77,;7.08,1.54,;8.41,2.31,;8.41,3.85,;9.75,4.62,;9.75,6.16,;8.41,6.93,;8.41,8.47,;9.75,9.24,;11.08,8.47,;11.08,6.93,)|
[H]C12OC3(C=C1)C(C2C(=O)Nc1cccc(OC)c1)C(=O)N(C(C)C)C3C(=O)NC1CCCCC1C |c:4|
Cc1cccn2c1nc1n(C)c(cc1c2=O)C(=O)NCCCn1ccnc1
CCOC(=O)c1ccc(NC(=O)CSc2nc(O)c(CC)c(=O)[nH]2)cc1
CCCCN(C)C(=O)CCCCn1c(=O)[nH]c2cc(OCC)c(OCC)cc2c1=O
CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1)c2=O
COc1cccc2cc(NC(=O)C3CCCCC3)c(=O)oc12
CCCCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(CSC)o1
O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O
Cn1c(nc2ccccc12)C(C#N)C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N1CCN(CC1)c1ccccc1
CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCCN2CCOCC2)c1=N
CCOc1ccc(c2cccnc12)S(=O)(=O)NCC1CCCO1
CCOc1ccccc1C1C(C(=O)Nc2ccccc2OC)C(C)=Nc2nnnn12 |c:25|
OC1(N(C(=O)Nc2ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)NC1CC1
CCCCN(CC)CCCNC(=O)c1cc2cc3ccc(OC)cc3nc2o1
CCOC(=O)CN1C(=O)CSc2ccccc12
Oc1cc(=O)[nH]c(=O)n1-c1ccc2OCOc2c1
Cc1c(Cl)cccc1N(CC(O)=O)S(C)(=O)=O
Cc1ccc(C)c(OCCCC(=O)NCC=C)c1
COCc1cc(C)nc(NC2CCCCC2)c1C#N
Cc1cc(NC(=O)CSc2nc3ccccc3[nH]2)no1
Cc1cc2c(C)cc(=O)oc2c2CCCNc12
COc1ccc(cc1)-c1c2CCCc2nc2sc(C(=O)Nc3cc(C)on3)c(N)c12
S=c1[nH]nc(Cc2ccccc2)n1Cc1ccco1
[H]C12CN(Cc3cccc(Cl)c3Cl)CC([H])(C1)c1cccc(=O)n1C2 |TLB:18:17:16:3.2.13|
COC(=O)c1sc(NC(=O)c2csc3CCCCc23)nc1C
OC(=O)c1cccnc1SCCc1ccccc1
CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1-c1cc2cc(Cl)ccc2o1
COc1ccc(Cc2nnc(SCC(=O)c3ccc(OC)cc3)o2)cc1
Clc1cccc(NC(=O)Nc2ccc(CC#N)cc2)c1
CCOC(=O)c1oc2c(C)c(O)ccc2c(=O)c1-c1nncn1-c1ccccc1 |(6.85,-6.43,;6.85,-4.89,;5.52,-4.12,;5.52,-2.58,;4.18,-1.81,;6.85,-1.81,;8.18,-2.58,;9.52,-1.81,;10.89,-2.63,;10.88,-4.17,;12.29,-1.84,;13.62,-2.61,;12.29,-.24,;10.89,.56,;9.52,-.27,;8.18,.5,;8.95,1.84,;6.85,-.27,;5.52,.5,;4.11,-.12,;3.08,1.02,;3.85,2.35,;5.36,2.03,;5.83,3.5,;4.8,4.64,;5.28,6.11,;6.78,6.43,;7.81,5.28,;7.34,3.82,)|
O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCSC1CCCCC1
CCOC(=O)N1CCC2(CC1)C(C#N)C(=N)Oc1c2c(C)nn1-c1cccc(Cl)c1
Cc1cc(C)cc(c1)N1CC(CC1=O)C(O)=O
[O-]N1C2CCCCC2[N+](=O)C=C1c1ccc(Oc2ccccc2)cc1 |c:11|
CCn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCC1
COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccccc1
COC(=O)c1cn(C(=O)c2cccs2)c2ccccc12
CC(=O)c1ccc(NC(=O)CSCCO)cc1
CCOC(=O)c1c(C)n(C)c2ccc(OC(C)C(=O)OC)cc12
Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1N1CCOCC1
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1
Cc1oc(cc1COc1ccccc1)C(=O)Nc1ccc(O)cc1
O=C(CN1CCOCC1)N1CCN(C1)S(=O)(=O)c1ccccc1
CCCCSc1nnc(o1)-c1ccc(C)cc1
C\N=C1\SC(CC(=O)Nc2cccc(c2)C(F)(F)F)C(=O)N1C
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)no1
Cc1ccc2N[C@@H]([C@@H]3CCO[C@@H]3c2c1)c1ccncc1
C=CCSC1=N\C(=C/c2ccsc2)C(=O)S1 |t:4|
COc1ccc(cc1OC)C(=O)N1CCC(CC1)C(=O)Nc1cccc(C)c1
O=S(=O)(NC1C(N2CCNCC2)c2cccc3cccc1c23)c1ccccc1
COC(=O)c1cn(nc1-c1cccnc1)-c1ccccc1
Cc1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N
Nc1nc(N)c2cc(ccc2n1)[N+]([O-])=O
CCOc1ccc2c(N)nc(N)nc2c1OCC
Clc1cc(Cl)cc(Oc2ccc(o2)C(=O)Nc2ccncc2)c1
Cc1ccccc1C(=O)Nc1ccncc1
CC(C)(C)C(=O)Nc1ccncc1
C1[C@@H]([C@H]([C@@H](CN1)O)O)CO
CCCC1NCC(O)C(O)C1CO
CCCC1(CCC)NCC(O)C(O)C1CO
OCCCC1NCC(O)C(O)C1CO
CCCCCCCCCC1NCC(O)C(O)C1CO
OCC1C(O)C(O)C(O)c2nccn12
OCC1C(O)C(O)C(O)c2nc(CCc3ccccc3)cn12
CC(C)(C)CCc1cn2C(CO)C(O)C(O)C(O)c2n1
CCCCCCCCc1cn2C(CO)C(O)C(O)C(O)c2n1
Cc1ccc(CCCc2cn3C(CO)C(O)C(O)C(O)c3n2)cc1
COc1ccc(CCCc2cn3C(CO)C(O)C(O)C(O)c3n2)cc1
OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(cc3)-c3ccccc3)cn12
OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(cc3)C3CCCCC3)cn12
OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(F)cc3)cn12
OCC1C(O)C(O)C(O)c2nc(CCCC(=O)Nc3ccccc3)cn12
CC(C)(CCCc1cn2C(CO)C(O)C(O)C(O)c2n1)C(=O)Nc1ccccc1
CCCCCCCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O
CC[C@@H](F)C1CNC[C@@H](O)[C@@H]1O
CC(F)[C@H]1CNC[C@@H](O)[C@@H]1O
CC(O)[C@H]1CNC[C@@H](O)[C@@H]1O
O[C@@H]1CNC[C@H](Cc2ccccc2)[C@H]1O
O[C@@H]([C@H]1CNC[C@@H](O)[C@@H]1O)c1ccccc1
CC(C)(O)[C@H]1CNC[C@@H](O)[C@@H]1O
O[C@@H]1CNC[C@H](C(F)F)[C@H]1O
COc1ccc(cc1)C1=[N+]2C(C=C1)=C(CCCCc1cn(C[C@H]3[C@H]4O[C@H]4[C@H](O)[C@@H](O)[C@@H]3O)nn1)c1ccc(-c3ccc(OC)cc3)n1[B-]2(F)F |r,c:12,t:9,14|
CC1=CC(C)=[N+]2C1=C(CCCCc1cn(C[C@H]3[C@H]4O[C@H]4[C@H](O)[C@@H](O)[C@@H]3O)nn1)c1c(C)cc(C)n1[B-]2(F)F |r,c:4,7,t:1|
CCCN1CC[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCC1CC[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCCCN1CC[C@@H](O)[C@H](O)[C@H]1CO |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#6]-[#8] |r|
COCCN1CC[C@@H](O)[C@H](O)[C@H]1CO |r|
OC[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccccc1 |r|
Cc1ccccc1CN1CC[C@@H](O)[C@H](O)[C@H]1CO |r|
Cc1cccc(CN2CC[C@@H](O)[C@H](O)[C@H]2CO)c1 |r|
Cc1ccc(CN2CC[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccc(F)cc1 |r|
Nc1ccc(CN2CC[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)CCN1CCc1ccccc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)CCN1CC1CCOCC1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)CCN1CC1CCNCC1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccco1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1cccs1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccncc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)CCN1CC1CCCC1 |r|
CC(C)CCCN1CC[C@@H](O)[C@H](O)[C@H]1CO |r|
OC[C@@H]1[C@@H](O)[C@H](O)CCN1Cc1ccc(cc1)[N+]([O-])=O |r|
CCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1
CCCCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1
CCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1
[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H](-[#6]-[#8])-[#6]-1
COCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1
OC[C@H]1CN(Cc2ccccc2)C[C@@H](O)[C@@H]1O
Cc1ccccc1CN1C[C@@H](O)[C@H](O)[C@@H](CO)C1
Cc1cccc(CN2C[C@@H](O)[C@H](O)[C@@H](CO)C2)c1
Cc1ccc(CN2C[C@@H](O)[C@H](O)[C@@H](CO)C2)cc1
OC[C@H]1CN(Cc2ccc(F)cc2)C[C@@H](O)[C@@H]1O
Nc1ccc(CN2C[C@@H](O)[C@H](O)[C@@H](CO)C2)cc1
OC[C@H]1CN(CCc2ccccc2)C[C@@H](O)[C@@H]1O
OC[C@H]1CN(CC2CCOCC2)C[C@@H](O)[C@@H]1O
OC[C@H]1CN(CC2CCNCC2)C[C@@H](O)[C@@H]1O
OC[C@H]1CN(Cc2ccco2)C[C@@H](O)[C@@H]1O
OC[C@H]1CN(Cc2cccs2)C[C@@H](O)[C@@H]1O
OC[C@H]1CN(Cc2ccncc2)C[C@@H](O)[C@@H]1O
OC[C@H]1CN(CC2CCCC2)C[C@@H](O)[C@@H]1O
CC(C)CCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1
OC[C@H]1CN(Cc2ccc(cc2)[N+]([O-])=O)C[C@@H](O)[C@@H]1O
OC[C@H]1OC(Oc2ccc(cc2N(=O)=O)N(=O)=O)[C@H](F)[C@@H](O)[C@@H]1O |r|
CCCN1C2C1[C@H](O)[C@@H](O)[C@H](O)[C@H]2O |r|
CCCCCN1C2C1[C@H](O)[C@@H](O)[C@H](O)[C@H]2O |r|
CCCCCCCN1C2C1[C@H](O)[C@@H](O)[C@H](O)[C@H]2O |r|
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCN[C@@H]3[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN(C)[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r|
CCCCCCCCN[C@@H]1C=C([C@@H]([C@@H]([C@H]1O)O)O)CO
OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H]1NCCCC#N |r|
NCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r|
OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H]1N1CCCC1 |r|
OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H]1NCCCCCC#N |r|
COc1ccc2cc(ccc2c1)-c1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1 |r|
O[C@@H]1CN[C@@H](Cn2cc(nn2)-c2ccccc2)[C@@H]1O |r|
O[C@@H]1CN[C@H](Cn2cc(nn2)-c2ccccc2)[C@@H]1O |r|
COc1ccc(cc1)-c1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1 |r|
OCc1ccc(cc1)-c1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1 |r|
C[Si](C)(C)Cc1cn(C[C@@H]2NC[C@@H](O)[C@H]2O)nn1 |r|
O[C@@H]1C[C@@H](O)[C@H](O)[C@H]2O[C@@H]12
O[C@@H]1C[C@H]2O[C@H]2[C@H](O)[C@H]1O
CCCCCCOCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r|
CCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r|
CCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r|
CN([C@@H]1CCc2ccccc2C1)c1nc(nc2ccccc12)-c1cccnc1 |r|
CN(C1CCCCCCC1)c1nc(nc2ccccc12)-c1cccnc1
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3
CCCCC(C(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1\C=C\C
CCCCC(C(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1C(C)C
CC(C)CC(C(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1C(C)C
CC(C)CC(C(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1C1CC1
OC[C@H]1N[C@H](CNC(=O)c2cccc3ccccc23)[C@@H](O)[C@H]1O
CCCCCCCCCCCC(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
CCN(CC)c1ccc2cc(C(=O)NC[C@H]3N[C@H](CO)[C@H](O)[C@@H]3O)c(=O)oc2c1
OC[C@H]1N[C@@H](CNC(=O)CCc2ccccc2)[C@@H](O)[C@H]1O
C([C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O)O
C([C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O)N
OC[C@H]1N[C@H](CNS(=O)(=O)c2cccc3ccccc23)[C@@H](O)[C@H]1O
CN(C)c1cccc2c(cccc12)S(=O)(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
C([C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O)O
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCO
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCC(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
O[C@@H]1CN[C@H](Cn2cc(nn2)-c2ccc(OCCOCCn3cc(COCC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)NC(=O)c4cc(cc(c4)C(=O)NC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)C(=O)NC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)nn3)cc2)[C@@H]1O |r|
O[C@@H]1CN[C@@H](Cn2cc(nn2)-c2ccc(OCCOCCn3cc(COCC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)NC(=O)c4cc(cc(c4)C(=O)NC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)C(=O)NC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)nn3)cc2)[C@@H]1O |r|
NC(COCc1cn(CCOCCOc2ccc(cc2)-c2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)(COCc1cn(CCOCCOc2ccc(cc2)-c2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)COCc1cn(CCOCCOc2ccc(cc2)-c2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1 |r|
O[C@@H]1CN[C@H](Cn2cc(nn2)-c2ccc(OCCOCCn3cc(COCC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(COCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cnnn4CCOCCOc4ccc(cc4)-c4cn(C[C@H]5NC[C@@H](O)[C@H]5O)nn4)nn3)cc2)[C@@H]1O |r|
O[C@@H]1CN[C@H](Cn2cc(nn2)-c2ccc(OCCOCCn3cc(COCC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)NC(=O)CCCCC(=O)NC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)nn3)cc2)[C@@H]1O |r|
O[C@@H]1CN[C@@H](Cn2cc(nn2)-c2ccc(OCCOCCn3cc(COCC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(COCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cnnn4CCOCCOc4ccc(cc4)-c4cn(C[C@@H]5NC[C@@H](O)[C@H]5O)nn4)nn3)cc2)[C@@H]1O |r|
O[C@@H]1CN[C@@H](Cn2cc(nn2)-c2ccc(OCCOCCn3cc(COCC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)NC(=O)CCCCC(=O)NC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)nn3)cc2)[C@@H]1O |r|
NC(COCc1cn(CCOCCOc2ccc(cc2)-c2cn(C[C@@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)(COCc1cn(CCOCCOc2ccc(cc2)-c2cn(C[C@@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)COCc1cn(CCOCCOc2ccc(cc2)-c2cn(C[C@@H]3NC[C@@H](O)[C@H]3O)nn2)nn1 |r|
COc1ccc(cc1)-c1cn(C[C@@H]2NC[C@@H](O)[C@H]2O)nn1 |r|
O[C@@H]1CN[C@@H](Cn2cc(CCCn3cc(COCC(COCc4cn(CCCc5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCCc5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)NC(=O)CCCCC(=O)NC(COCc4cn(CCCc5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCCc5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCCc5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)nn3)nn2)[C@@H]1O |r|
O[C@@H]1CN[C@@H](Cn2cc(CCCn3cc(COCC(COCc4cn(CCCc5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCCc5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCCc5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)nn3)nn2)[C@@H]1O |r|
CCCc1cn(C[C@@H]2NC[C@@H](O)[C@H]2O)nn1 |r|
NC(COCc1cn(CCCc2cn(C[C@@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)(COCc1cn(CCCc2cn(C[C@@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)COCc1cn(CCCc2cn(C[C@@H]3NC[C@@H](O)[C@H]3O)nn2)nn1 |r|
CC(C)(O)c1ccc(NC(=O)c2ccnn(-c3ccccc3OCC(F)(F)F)c2=O)cc1
CCCCCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1 |r|
CCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
CCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
CCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
CCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
CCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
CCCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
CCCCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
CCCCCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
CCCCCCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
CCCCCCCCC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1CO |r|
O[C@H]1CN[C@H]([C@@H]1O)c1ccccc1 |r|
OC[C@H]1N[C@H](CCCCCCCC2CCc3ccccc3C2)[C@@H](O)[C@@H]1O |r|
C1[C@H](C([C@H](CN1)O)O)O
CCCCCCCCCC1NC[C@@H](O)[C@H](O)[C@H]1O |r|
CCCCCCO[C@H]1CNC[C@@H](O)[C@@H]1O |r|
Cc1cc(nc(n1)N1CCCC1)N1CCN(CC1)C(=O)c1ccccc1C
CC(C)c1nc(C)cc(n1)N1CCN(CC1)C(=O)c1ccccc1C
Cc1cc(nc(n1)N1CCC1)N1CCN(CC1)C(=O)c1ccccc1C
CN(C)c1nc(C)cc(n1)N1CCN(CC1)C(=O)c1ccccc1C
Cc1cc(nc(n1)N1CCCCC1)N1CCN(CC1)C(=O)c1ccccc1C
Cc1cc(nc(n1)N1CCCCCC1)N1CCN(CC1)C(=O)c1ccccc1C
Cc1cc(nc(n1)N1CCOCC1)N1CCN(CC1)C(=O)c1ccccc1C
Cc1cc(nc(n1)N1CCC(F)(F)C1)N1CCN(CC1)C(=O)c1ccccc1C
Cc1cc(nc(n1)N1CCCC1)N1CCN(CC1)C(=O)c1ccccc1
Cc1cc(nc(n1)N1CCCC1)N1CCN(CC1)C(=O)c1ccccc1F
Cc1cc(nc(n1)N1CCCC1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F
Cc1cc(nc(n1)N1CCCC1)N1CCN(CC1)C(=O)c1ccccc1Cl
Cc1cccc(c1)C(=O)N1CCN(CC1)c1cc(C)nc(n1)N1CCCC1
Cc1ccc(cc1)C(=O)N1CCN(CC1)c1cc(C)nc(n1)N1CCCC1
Cc1cc(nc(n1)N1CCCC1)N1CCN(CC1)C(=O)c1ccc(Cl)cc1
Cc1cc(nc(n1)N1CCCC1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Cc1cc(nc(n1)N1CCCC1)N1CCN(CC1)C(=O)c1ccc(cc1)C(C)(C)C
Cc1cc(nc(n1)N1CCCC1)N1CCN(CC1)C(=O)c1cnccn1
Cc1cc(nc(n1)N1CCCC1)N1CCN(CC1)C(=O)c1ccncc1
CC(=O)N1CCN(CC1)c1cc(C)nc(n1)N1CCCC1
Cc1cc(nc(n1)N1CCCC1)N1CCN(CC1)C(=O)C1CCCCC1
Cc1cc(nc(n1)N1CCCC1)N1CCN(CC1)C(=O)Cc1ccccc1
Cc1cc(nc(n1)N1CCCC1)N1CCCN(CC1)C(=O)c1ccccc1C
Cc1cc(nc(n1)N1CCCC1)N1CC2CN(CC2C1)C(=O)c1ccccc1C
Cc1cc(nc(n1)N1CCCC1)N1CC2(CN(C2)C(=O)c2ccccc2C)C1
Cc1ccccc1C(=O)N1CCN(CC1)c1ccnc(n1)N1CCCC1
Cc1ccccc1C(=O)N1CCN(CC1)c1cc(nc(n1)N1CCCC1)C(F)(F)F
Cc1ccccc1C(=O)N1CCN(CC1)c1cc(CO)nc(n1)N1CCCC1
Cc1ccccc1C(=O)N1CCN(CC1)c1nc(ncc1C)N1CCCC1
Cc1ccccc1C(=O)N1CCN(CC1)c1nc(nc(C)c1C)N1CCCC1
Cc1ccccc1C(=O)N1CCN(CC1)c1nc(nc2ccccc12)N1CCCC1
Cc1ccccc1C(=O)N1CCN(CC1)c1nc(nc2CCCc12)N1CCCC1
CC(C)(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1nc(nc2CCCc12)N1CCCC1
CC(C)(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1nc(nc2CCCCc12)N1CCCC1
Cc1ccccc1C(=O)N1CCN(CC1)c1nc(nc2COCc12)N1CCCC1
CC(C)(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1nc(nc2COCc12)N1CCCC1
Cc1ccccc1C(=O)N1CCN(CC1)c1nc(nc2CCOCc12)N1CCCC1
CC(C)c1nc(C)cc(n1)N1CCN(CC1)C(=O)c1cc(nc2n(ncc12)C(C)C)-c1ccccc1
Cc1n[nH]c2N[C@@H]([C@H]([C@H](O)c12)n1nnc2ccccc12)c1ccccc1 |r|
Cc1n[nH]c2N[C@@H]([C@H]([C@H](O)c12)n1nnc2ccccc12)c1ccccc1C |r|
Cc1n[nH]c2N[C@@H]([C@H]([C@H](O)c12)n1nnc2ccccc12)c1cccc(C)c1 |r|
Cc1n[nH]c2N[C@@H]([C@H]([C@H](O)c12)n1nnc2ccccc12)c1ccc(C)cc1 |r|
Cc1n[nH]c2N[C@@H]([C@H]([C@H](O)c12)n1nnc2ccccc12)c1ccccc1F |r|
Cc1n[nH]c2N[C@@H]([C@H]([C@H](O)c12)n1nnc2ccccc12)c1cccc(F)c1 |r|
Cc1n[nH]c2N[C@@H]([C@H]([C@H](O)c12)n1nnc2ccccc12)c1ccc(F)cc1 |r|
Cc1n[nH]c2N[C@@H]([C@H]([C@H](O)c12)n1nnc2ccccc12)c1ccccc1Cl |r|
Cc1n[nH]c2N[C@@H]([C@H]([C@H](O)c12)n1nnc2ccccc12)c1ccccc1Br |r|
Cc1n[nH]c2N[C@@H]([C@H]([C@H](O)c12)n1nnc2ccccc12)c1ccccc1C(F)(F)F |r|
COc1ccccc1[C@H]1Nc2[nH]nc(C)c2[C@@H](O)[C@@H]1n1nnc2ccccc12 |r|
Cc1n[nH]c2N[C@@H]([C@H]([C@H](O)c12)n1nnc2ccccc12)c1cccc(C)c1Cl |r|
Cc1n[nH]c2N[C@@H]([C@H]([C@H](O)c12)n1nnc2ccccc12)c1cccc(F)c1Cl |r|
Cc1n[nH]c2N[C@@H]([C@H]([C@H](O)c12)n1nnc2ccccc12)c1cccc(Cl)c1Cl |r|
Cc1n[nH]c2N[C@@H]([C@H]([C@H](O)c12)n1nnc2ccccc12)c1ccc(Cl)cc1Cl |r|
Cc1n[nH]c2N[C@@H]([C@H]([C@H](O)c12)n1nnc2ccccc12)c1cc(Cl)ccc1Cl |r|
Cc1n[nH]c2N[C@H](C3CCCC3)[C@H]([C@H](O)c12)n1nnc2ccccc12 |r|
Cc1n[nH]c2N[C@H](C3CCCCC3)[C@H]([C@H](O)c12)n1nnc2ccccc12 |r|
Cc1n[nH]c2N[C@@H]([C@H]([C@H](O)c12)n1nnc2ccccc12)C1CCCCCC1 |r|
Cc1n[nH]c2N[C@H](C3CCOCC3)[C@H]([C@H](O)c12)n1nnc2ccccc12 |r|
O[C@H]1[C@@H]([C@H](Nc2[nH]ncc12)c1ccccc1)n1nnc2ccccc12 |r|
CCc1n[nH]c2N[C@@H]([C@H]([C@H](O)c12)n1nnc2ccccc12)c1ccccc1Cl |r|
O[C@H]1[C@@H]([C@H](Nc2[nH]nc(C3CC3)c12)c1ccccc1Cl)n1nnc2ccccc12 |r|
CC(C)(C)c1n[nH]c2N[C@@H]([C@H]([C@H](O)c12)n1nnc2ccccc12)c1ccccc1Cl |r|
O[C@H]1[C@@H]([C@H](Nc2cnccc12)c1ccccc1Cl)n1nnc2ccccc12 |r|
O[C@H]1[C@@H]([C@H](Nc2ccncc12)c1ccccc1Cl)n1nnc2ccccc12 |r|
Cc1cc2N[C@@H]([C@H](C(O)n2n1)n1nnc2ccccc12)c1ccccc1 |r|
OC[C@H]1NC[C@@H](O)[C@@H]1O |r|
OC[C@@H]1[C@@H](O)[C@H](O)CN1CCCc1ccccc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)CN1CCCCc1ccccc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)CN1CCCCCc1ccccc1 |r|
CCCCCCCN1C[C@@H](O)[C@H](O)[C@H]1CO |r|
OC[C@H]1[C@H](O)[C@@H](O)CN1CCCCc1ccccc1 |r|
CCCCN1C[C@H](O)[C@@H](O)[C@@H]1CO |r|
CCCCCCCN1C[C@H](O)[C@@H](O)[C@@H]1CO |r|
CCCCCCC[C@H]1[C@@H]([C@H]([C@@H](N1)CO)O)O
C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O
c1ccc(cc1)CC2CCNCC2
Cc1cccc(c1OC[C@@H](C)N)C
c1ccc(cc1)S(=O)(=O)NCC2CC2
NCC(O)CNS(=O)(=O)c1ccccc1F
Cc1ccc(S(=O)(=O)NCC(C)N)cc1
N[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1
N[C@H](CNS(=O)(=O)c1cccc(F)c1)c1ccccc1
c1ccc(cc1)[C@@H](CNS(=O)(=O)c2cc(cc(c2)F)F)N
CN(C[C@H](c1ccccc1)N)S(=O)(=O)c2cc(cc(c2)F)F
CN(C[C@@H](N)c1cccc(Br)c1)S(=O)(=O)c1cc(F)cc(F)c1
CN(C)c1cccc([C@H](N)CN(C)S(=O)(=O)c2cc(F)cc(F)c2)c1
CCCOc1cc(F)cc(S(=O)(=O)N(C)C[C@@H](N)c2cccc(N(C)C)c2)c1
CN(C[C@@H](c1ccccc1)N)S(=O)(=O)c2cc(cc(c2)F)F
CN(C[C@H](N)c1cccc(Cl)c1)S(=O)(=O)c1cc(F)cc(F)c1
CN(C)c1cccc([C@@H](N)CN(C)S(=O)(=O)c2cc(F)cc(F)c2)c1
CN(CC(F)F)c1cccc([C@@H](N)CN(C)S(=O)(=O)c2cc(F)cc(F)c2)c1
CC(=C)c1cccc(c1)[C@H](CN(C)S(=O)(=O)c2cc(cc(c2)F)F)N
Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1 |wU:14.15,wD:11.11,(9.88,-5.24,;9.1,-6.63,;7.56,-6.63,;6.74,-5.3,;6.8,-7.96,;7.56,-9.29,;6.77,-10.67,;9.08,-9.29,;9.88,-7.96,;11.4,-7.96,;12.18,-6.63,;13.74,-6.63,;14.51,-7.96,;16.03,-7.96,;16.81,-6.63,;18.35,-6.63,;16.03,-5.3,;14.48,-5.3,)|
OCCC[C@@H](O)CCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
OCCC[C@@H](O)CCCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
OCCC[C@H](O)CCCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
OCCC[C@@H](O)CCCCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
OCCC[C@H](O)CCCCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
OCCC[C@@H](O)CCCCCCCC[C@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O
OCCC[C@H](O)CCCCCCCC[C@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O
OCCC[C@@H](O)CCCCCCCC[C@@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O
OCCC[C@H](O)CCCCCCCC[C@@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O
CCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCCCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCCCCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCCCCCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCCCCCCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCCCCCCCCCCCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCCCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCCCCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCCCCCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCCCCCCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCCCCCCCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCCCCCCCCCCCC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CCCC[C@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O
CCCCCCC[C@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O
CCCCCCCCCC[C@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O
CCCCCCCCCCCCC[C@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O
CCCC[C@@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O
CCCCCCC[C@@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O
CCCCCCCCCC[C@@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O
CCCCCCCCCCCCC[C@@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O
OCC(O)CCCCC(O)CC(O)CCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
OC1CCN2C[C@H](O)[C@@H](O)[C@H](O)C12
CCC(O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
O[C@H]1CN[C@H](CF)[C@@H](O)[C@@H]1O
C[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
CO[C@@H]1O[C@@H](CO)[C@@H](Oc2cccnc2S[C@@H]2[C@H](CO)O[C@@H](OC)[C@@H](O)[C@H]2O)[C@H](O)[C@@H]1O |r|
COC1OC(CO)C(Sc2nc(C)ccc2O)C(O)C1O
COC1OC(CO)C(Sc2nc(CO)ccc2O)C(O)C1O
COC1OC(CO)C(Sc2ncccc2O)C(O)C1O
COC1OC(CO)C(Sc2nc(CN(C)C)ccc2O)C(O)C1O
COC1OC(CO)C(Sc2ccccn2)C(O)C1O
O[C@H]1CNC[C@H](O)[C@@H](O)[C@@H]1O
OC1CNCC(=C)C1O
CC1CNC[C@H](O)C1O
CCCCN1CC(O)C(O)C(O)C1
COC1CNCC(O)C1O
CCCCN1CC(C)C(O)C(O)C1
CCCCCCCCCC(=O)N[C@@H](CN[C@@H]1C=C(CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)c1ccccc1 |t:16|
CCCCCCCCCC(=O)N[C@H](CNC1CC(CO)C(O)C(O)C1O)[C@H](O)c1ccccc1
CCCCCCCCCC(=O)N[C@@H](CN[C@@H]1C=C(CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H](O)c1ccccc1 |t:16|
CCCCCCCCCC(=O)N[C@@H](CNC1CC(CO)C(O)C(O)C1O)[C@H](O)c1ccccc1
CCCCCCCCCC(=O)N[C@@H](CNC1CC(CO)C(O)C(O)C1O)[C@@H](O)c1ccccc1
CCCCCCCCCC(=O)N[C@H](CNC1CC(CO)C(O)C(O)C1O)[C@@H](O)c1ccccc1
CCCCCCCCCC(=O)N[C@H](CN[C@@H]1C=C(CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H](O)c1ccccc1 |t:16|
CCCCCCCCCC(=O)N[C@H](CN[C@@H]1C=C(CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)c1ccccc1 |t:16|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCNC(=O)c1ccc(cc1)C(=O)c1ccc(OCC#C)cc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCNC(=O)CCC(=O)c1ccc(OCC#C)cc1 |r|
CCCCCCCCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r|
CCC[C@H]1N[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
CCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r|
CCCC[C@H]1N[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
CCCCCC[C@H]1N[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
CCCCCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r|
CN(C)c1ccc(cc1)-c1cnc(o1)-c1cccc(c1)S(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12 |r|
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCS(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12 |r|
CCN(CC)c1ccc2cc(c(=O)oc2c1)S(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12 |r|
CCCCCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12 |r|
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12 |r|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:22:19:25.24.26,23:24:21.22.27:19|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:19.20.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:19:27.21.22|
CCCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
O[C@H]1[C@H]2CC[C@](O)(N2)[C@@H](O)[C@@H]1O
OC[C@H]1[C@H]2CC[C@](O)(N2)[C@@H](O)[C@@H]1O |r,TLB:12:11:8:4.5,1:2:8:4.5,THB:10:9:8:4.5|
CCCCN1[C@@H]2CC[C@@]1(O)[C@@H](O)[C@H](O)[C@H]2CO |r,TLB:11:10:4:6.7,THB:13:12:4:6.7,15:14:4:6.7|
CCCCCCCCCN1[C@@H]2CC[C@@]1(O)[C@@H](O)[C@H](O)[C@H]2CO |r,TLB:16:15:9:11.12,THB:18:17:9:11.12,20:19:9:11.12|
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(Cc3cc4nsnc4cc3Cl)nn2)[C@@H](O)[C@@H]1O |r|
Cn1nnc2ccc(Cn3cc(CN[C@@H]4[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]4O)nn3)cc12 |r|
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CCCCCOCc3ccccc3)nn2)[C@@H](O)[C@@H]1O |r|
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CCCC3CCCCC3)nn2)[C@@H](O)[C@@H]1O |r|
CC(C)(CO)Cn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
COCCCOCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CCCCOCCCOCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CSCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
COCCCOCCCOCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CC(C)(C)OCCCOCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
OCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
OCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)nn2)[C@@H](O)[C@@H]1O |r|
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CCC(c3ccccc3)c3ccccc3)nn2)[C@@H](O)[C@@H]1O |r|
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CC34CC5CC(CC(C5)C3)C4)nn2)[C@@H](O)[C@@H]1O |r,TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,12:13:16.15.20:18|
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CCCCC3CCCCC3)nn2)[C@@H](O)[C@@H]1O |r|
CCCCCCCCCCN[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
CCCCc1ncc(Cn2cc(CN[C@@H]3[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]3O)nn2)[nH]1 |r|
CN1CCN(Cc2cccc(Cn3cc(CN[C@@H]4[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]4O)nn3)c2)CC1 |r|
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(Cc3cccc(I)c3)nn2)[C@@H](O)[C@@H]1O |r|
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CCCc3nc4ccc(cc4[nH]3)C(F)(F)F)nn2)[C@@H](O)[C@@H]1O |r|
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(nn2)C2CSCCCSC2)[C@@H](O)[C@@H]1O |r|
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(Cc3ccc(CN4CCCCC4)cc3)nn2)[C@@H](O)[C@@H]1O |r|
OC[C@@H]1CNC[C@@H](O)[C@@H]1O |r|
C1[C@@H]([C@@H]([C@@H](CN1)O)O)CO
OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
OC[C@H]1NCC[C@H](O)[C@@H]1O |r|
OC[C@@H]1CNC[C@H](O)[C@H]1O |r|
OC[C@H]1CNC[C@H](O)[C@@H]1O |r|
OCCN1CCOCC1
OCCC(O)CN1CCOCC1
C[C@@H]1CNC[C@@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@@H]1CNC[C@@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1CNC[C@@H](O)[C@@H](O)[C@@H]1O |r|
C[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O
OCC12OC(Nc3ccccc3)=NC1C(O)C(O)C2O |c:12|
C1([C@H]([C@H]([C@H]([C@H]1O)O)O)O)N
OC1C(O)C2OC(Nc3ccccc3)=NC2C1O |c:14|
OCC1C(O)C(O)C2OC(Nc3ccccc3)=NC12 |c:17|
OCC1(O)C(O)C(O)C2N=C(Nc3ccccc3)OC12 |t:9|
NC1C(O)C(O)C(O)C1(O)CO
OCC1(O)C(O)C(O)C2(CO)OCC(Nc3ccccc3)=NC12 |c:21|
CCCCNC1C=C(CO)C(O)C(O)C1O |t:6|
CCCCCCCCN[C@@H]1C=C([C@H]([C@@H]([C@H]1O)O)O)CO
CCCCCCNC1C=C(CO)C(O)C(O)C1O |t:8|
CCCCCCCCCCNC1C=C(CO)C(O)C(O)C1O |t:12|
CCCCCCCCCCCCCCCC(=O)N[C@@H](CNC1C=C(CO)C(O)C(O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC |t:22|
CCCCCCCCCCCCCCNC1C=C(CO)C(O)C(O)C1O |t:16|
CCCCCCCCCCCCCCCCCCNC1C=C(CO)C(O)C(O)C1O |t:20|
C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O
OCC1OC(=NOC(=O)Nc2ccccc2)C(O)C(O)C1O |w:5.5|
OC[C@@H]1CN[C@@H](CO)[C@@H](O)[C@@H]1O |r|
C[C@@H]1NC[C@@H](CO)[C@@H](O)[C@@H]1O |r|
O=C1N(CCCc2ccccc2)C(=O)c2ccccc12
O=C1N(Cc2ccccc2)C(=O)c2ccccc12
O=C1N(CCc2ccccc2)C(=O)c2ccccc12
Nc1cccc2C(=O)N(C(=O)c12)c1ccccc1
Clc1c2C(=O)N(CCCCc3ccccc3)C(=O)c2c(Cl)c(Cl)c1Cl
[O-][N+](=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1
Clc1c2C(=O)N(CCCc3ccccc3)C(=O)c2c(Cl)c(Cl)c1Cl
Nc1ccc2C(=O)N(C(=O)c2c1)c1ccccc1
Oc1cccc2C(=O)N(C(=O)c12)c1ccccc1
O=C1N(C(=O)c2ccccc12)c1ccccc1
Clc1c2C(=O)N(Cc3ccccc3)C(=O)c2c(Cl)c(Cl)c1Cl
Oc1ccc2C(=O)N(C(=O)c2c1)c1ccccc1
Clc1c2C(=O)N(CCc3ccccc3)C(=O)c2c(Cl)c(Cl)c1Cl
Clc1c2C(=O)N(CCCCCCc3ccccc3)C(=O)c2c(Cl)c(Cl)c1Cl
[O-][N+](=O)c1cccc2C(=O)N(C(=O)c12)c1ccccc1
Clc1c2C(=O)N(CCCCCc3ccccc3)C(=O)c2c(Cl)c(Cl)c1Cl
C1[C@@H]([C@H]([C@@H]([C@H]([N@@]1CCO)CO)O)O)O
CCCCCCCCCCCn1cc(CCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CCCCCCCCCCn1cc(CCCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CCCOCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CCCCCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CCCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CCCCCCn1cc(CCCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CCCCCCCCn1cc(CCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CCCCCCCCCn1cc(CCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CCCCCCCCn1cc(CCCN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CCc3ccccc3)nn2)[C@@H](O)[C@@H]1O |r|
CCCCCCCCCN1[C@H]2[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]2O)N(CCCCCCCCC)C1=O |r|
CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1NCCCCCCCCC |r|
CCCCCCCCCN[C@@H]1[C@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
CCCCCCCCCO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OCCCCCCCCC |r|
N[C@H]1[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
CC(C)SCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r|
O[C@@H]1CN[C@H](CCSCCCC(=O)N2CCOCC2)[C@H](O)[C@H]1O |r|
CCN(CC)C(=O)CCCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r|
O[C@@H]1CN[C@H](CCSCC(=O)NCc2ccccc2)[C@H](O)[C@H]1O |r|
O[C@@H]1CN[C@H](CCSCCNC(=O)Nc2ccccc2)[C@H](O)[C@H]1O |r|
CCCC(=O)NCCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r|
O[C@@H]1CN[C@H](CCSCCc2ccccc2)[C@H](O)[C@H]1O |r|
O[C@@H]1CN[C@H](CCSCc2ccccc2)[C@H](O)[C@H]1O |r|
O[C@@H]1CN[C@H](CCSC2CCCCC2)[C@H](O)[C@H]1O |r|
O[C@@H]1CN[C@H](CCSC2CCCC2)[C@H](O)[C@H]1O |r|
CC(C)CCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r|
CC(C)(C)SCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r|
CCCCCCCCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r|
CCCCCCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r|
CCCCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r|
CCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r|
CC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r|
O[C@@H]1CN[C@H](C=C)[C@H](O)[C@H]1O |r|
CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCCCCCCCCC |r|
CCCCCCCCCO[C@H]1[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OC |r|
CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r|
CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OCCCCCCCCC |r|
CCCCCCCCCN[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
CCCCCCCCCN[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC |r|
CCCCCCCCCN(CCCCCCCCC)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r|
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Clc1ccc(CN(CCCNC(=S)NCCCc2cnc[nH]2)c2ccc(Br)cn2)cc1Cl
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CC(=O)N[C@H]1CN(CCCCCCO)C(=O)[C@H](O)[C@@H]1O |r|
OCCCCCCN1C[C@@H](O)[C@@H](O)[C@@H](O)C1=O |r|
O[C@@H]1CN(Cc2ccccc2)C(=O)[C@@H](O)[C@@H]1O |r|
OCCCCCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O |r|
OCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O |r|
CCCCCCCCN1C[C@@H](O)C(O)[C@H](O)C1 |r|
OCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)C1=O |r|
CCCCCCCCCCN1C[C@@H](O)[C@@H](O)C1=O |r|
O[C@@H]1CNC(=O)[C@@H](O)[C@@H]1O |r|
CCCCCCCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O |r|
CCCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O |r|
CCCCCCCCCCN1C[C@H](NC(C)=O)[C@@H](O)[C@@H](O)C1=O |r|
CCCCCCCCCCN1C[C@@H](O)[C@@H](O)[C@@H](O)C1=O |r|
CCCN(CCC)CCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O |r|
CCCOCCCCCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O |r|
CCCCCCCCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O |r|
CCCCCCCCCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O |r|
OCCCCCCN1C[C@@H](O)[C@@H](O)C1=O |r|
CCCOCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O |r|
CCCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)C1=O |r|
OC[C@H](O)[C@@H]1NC[C@@H]1O |r|
CC[C@@H]1NC[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
COc1ccc2CCC(CC(=O)NCCCCN3C[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)c2c1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r|
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OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)CC1c2ccccc2-c2ccccc12 |r|
[H][C@]12CC[C@](O)(N1)[C@@H](O)[C@H](O)C2 |r|
[H][C@]12CC[C@](O)(N1)[C@H](O)[C@H](O)[C@H]2O |r|
[H][C@]12CC[C@](O)(N1)[C@@H](O)[C@H](O)[C@@H]2O |r|
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O[C@@H]1CN[C@H](C#N)[C@H](O)[C@H]1O |r|
OC[C@H]1N[C@H](C#N)[C@H](O)[C@@H](O)[C@@H]1O |r|
CN(C)c1cccc2c(cccc12)S(=O)(=O)NC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |r|
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OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC(F)(F)CCCOCc1ccc(cc1)-c1ccccc1 |r|
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C[C@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1F)-c1ccccc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(c(F)c1)-c1ccccc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC1CCCCC1 |r|
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OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC\C=C/C12CC3CC(CC(C3)C1)C2 |r,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
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[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#6]-[#8] |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccccc2c1 |r|
c1ccc2c(c1)cc(c3c2cccc3)COCCCCCN4C[C@@H]([C@H]([C@@H]([C@H]4CO)O)O)O
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccc3cccc4ccc1c2c34 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1 |r|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC1CCCCC1 |r|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCC(=O)NC12CC3CC(CC(C3)C1)C2 |r,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC\C=C/C12CC3CC(CC(C3)C1)C2 |r,TLB:16:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:22:23:27:21.26.20,26:25:28:22.21.20,26:21:28:25.27.24,THB:22:21:27:28.23.24|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCC12CC3CC(CC(C3)C1)C2 |r,TLB:24:23:26:19.20.18,24:19:26:25.23.22,20:21:25:19.18.24,THB:20:19:25:21.26.22|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)[C@H](C)CCCC(C)C |r,t:9|
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OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccccc2c1 |r|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cc2ccccc2c2ccccc12 |r|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccc3cccc4ccc1c2c34 |r|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1 |r|
Cc1ccc(cc1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
Cc1cccc(c1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
Cc1ccccc1-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
COc1ccc(cc1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
COc1cccc(c1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
COc1ccccc1-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(cc1)C#N |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cccc(c1)C#N |r|
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OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cccc(F)c1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1F |r|
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OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccc(F)nc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1-c1ccccc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cccc(c1)-c1ccccc1 |r|
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1C(F)(F)F)-c1ccccc1 |r|
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C[C@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)c1ccc(cc1)-c1ccccc1 |r|
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OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC(F)(F)COCc1ccc(cc1)-c1ccccc1 |r|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1C(F)(F)F)-c1ccccc1 |r|
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OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1F)-c1ccccc1 |r|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(c(F)c1)-c1ccccc1 |r|
CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r|
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OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1ccccc1 |r|
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H]-1-[#6]-[#8] |r|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1 |r|
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[H][C@]12OC(SCCCCCCCCCCCCCCCCSC3=N[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@]4([H])O3)=N[C@@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O |r,c:38,t:22|
[H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCCI)=N2 |r,c:32|
[H][C@]12OC(SCCCCCCCCCCCCCCCC(=O)OC)=N[C@@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O |r,c:23|
[H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCC(O)=O)=N2 |r,c:33|
[H][C@]12OC(SCCCCCCCCCCCCCCCCO)=N[C@@]1([H])O[C@H](CO)[C@H](O)[C@@H]2O |r,c:21|
C1Oc2ccccc2CC1Nc1nc(nc2ccccc12)-c1cccnc1
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[H][C@]12CS\C(=N\CCCCCCCC)N1CC[C@@H](O)[C@@H]2O |r|
[H][C@]12CS\C(=N\CCCCCCCC)N1C[C@@H](O)[C@H]2O |r|
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[H][C@@]12CS\C(=N\CCCCCCCCCCCCCCCCO)N1C[C@H](O)[C@H]2O |r|
CCCCCCCCNC(=S)N1C[C@@H](O)[C@H](O)[C@H]1CO |r|
[H][C@]12CS\C(=N\CCCCCCCCCCCCCCCCO)N1C[C@@H](O)[C@H]2O |r|
CCCCCCCCNC(=S)N1C[C@H](O)[C@@H](O)[C@@H]1CO |r|
[H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12|
[H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCCCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12|
[H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCCCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12|
[H][C@@]12CO[C@@]([H])([C@H](O)[C@@H](O)[C@@H]1O)N2C(=S)NCCCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |r,TLB:7:6:2.3:12,THB:11:10:2.3:12|