Compound Name

SMILES String

C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |r,c:2|

CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12

COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC

CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc12

CC(=O)OC1CN2CCC1CC2 |(10.76,-5.27,;9.32,-4.51,;9.32,-2.9,;7.94,-5.34,;6.53,-4.61,;6.53,-3.08,;5.18,-2.29,;4.35,-3.24,;4.35,-4.51,;5.2,-5.39,;3.85,-4.62,;3.85,-3.08,)|

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)C

CC#CCOC(=O)C1=CCCN(C)C1 |t:7|

Cc1noc(n1)C1CN2CCC1CC2 |(5.41,-5.22,;4.1,-6,;4.34,-7.52,;2.94,-8.22,;1.87,-7.15,;2.56,-5.75,;.54,-7.93,;.54,-9.47,;-.8,-10.25,;-2.11,-9.47,;-2.11,-7.93,;-.8,-7.16,;-1.21,-8.65,;-.19,-8.97,)|

C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1

[O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1 |t:4|

CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O

Cc1ccc(C[N+](C)(C)C)o1

CN1CCC=C(C1)C(=O)OCC#C |c:4|

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)N1Cc3ccccc3NC1=O)N2C |TLB:9:7:23:2.3|

CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4

CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl

CC[C@H]1[C@H](COC1=O)Cc2cncn2C

CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12

O=C1CCCN1CC#CCN1CCCC1

OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)|