Compound Name

SMILES String

C1NCC23CC45CC12CC4(C3)CCCC5

NC(=N)N1CC23CC45CC2(C1)CC4(C3)CCCC5

C1C2CC3CC1CC(C2)(C3)N

CC12CC34CN(CC3(C1)CC2(C)C4)C(N)=N

CC12CC3CC1(C)CC3(N)C2 |TLB:9:8:5.4:2,THB:7:5:2:10.8,7:8:5.4:2|

CCC12CC34CN(CC3(C1)CC2(CC)C4)C(N)=N

NCC12CC3CC1CC(C2)C3 |TLB:3:2:10.4.5:7,THB:3:4:7:9.2,1:2:10.4.5:7|

CNCC12CC3CC1CC(C2)C3 |TLB:4:3:11.5.6:8,THB:4:5:8:10.3,2:3:11.5.6:8|

[#7]\[#6](-[#7])=[#7]/[#6]C12[#6]-[#6]-3-[#6]-[#6]1-[#6]-[#6](-[#6]2)-[#6]-3 |TLB:10:9:13.11.12:6,THB:10:11:8.9:6|

CC(N)C12CC3CC1CC(C2)C3 |TLB:8:7:11.9.10:4,THB:8:9:4:6.7|

CC12CC3CC1(C)CC3(CN)C2 |TLB:9:8:5.4:2,THB:7:5:2:11.8,7:8:5.4:2|

NC12CC3CC(CC(C3)O1)C2 |TLB:0:1:4:8.7.6,THB:2:3:6:10.1.9,2:1:4.3.8:6,9:1:4:8.7.6,9:7:4:10.2.1,0:1:4.3.8:6|

CNC12CC3CC(CC(C3)O1)C2 |TLB:1:2:5:9.8.7,THB:3:4:7:11.2.10,3:2:5.4.9:7,10:2:5:9.8.7,10:8:5:11.3.2,1:2:5.4.9:7|

C1NCC23C4C=CC5C4C4C(C=CC24)C135 |c:5,12,TLB:4:3:11.12:9,7:14:11.12:9,6:7:4:13.9,0:14:4:13.9,0:14:8:5.6,2:3:8:5.6,THB:8:9:14.3:11.12,12:13:4:14.7,12:13:4.8:14.10,13:3:8:5.6,10:14:4:13.9,10:9:4:14.7,10:14:8:5.6,9:8:14.3:5.6,0:14:11.12:9,2:3:11.12:9,(27.24,-25.38,;29.04,-26.14,;27.89,-24.75,;27.89,-22.62,;29.02,-21.83,;30.43,-22.65,;29.91,-23.76,;28.62,-23.1,;28.74,-20.39,;26.08,-20.42,;25.96,-23.13,;24.58,-23.82,;25.23,-22.66,;26.36,-21.86,;27.24,-23.79,)|

C1C2C1C1C3C2C24CNCC12C1C2CC2C4C31 |TLB:4:16:6.10:14.12,7:6:3:11.16,7:6:4:2.1,7:6:16:14.12,9:10:4:2.1,9:10:16:14.12,1:5:3:11.16,0:1:6.10:4,THB:13:14:6.10:16,13:12:6.10:16,3:10:16:14.12,5:6:16:14.12,11:10:4:2.1,15:6:3:11.16,15:16:3:6.5,15:6:4:2.1,16:4:6.10:2.1,0:2:6.10:4,12:11:3:6.5,12:11:3.4:6.15,(12.17,-33.82,;10.88,-33.93,;11.43,-32.76,;9.96,-31.9,;9.66,-30.39,;9.53,-33.24,;8.09,-33.96,;8.08,-35.63,;9.97,-36.43,;8.76,-34.97,;8.77,-32.74,;7.16,-31.93,;5.98,-32.77,;4.58,-32.79,;5.29,-34,;6.74,-33.27,;6.86,-30.42,)|

NC(=N)N1CC2C(C1)C1CCC2C2CCC12 |TLB:7:6:10.9:15.12,THB:4:5:10.9:15.12,13:12:10.9:5.6,14:15:10.9:5.6|

[H][C@]12[C@@]3([H])[C@@]4([H])[C@@]1([H])[C@]1([H])[C@@]5([H])CNC[C@@]5([H])[C@@]4([H])[C@@]4([H])[C@]3([H])C=C[C@]2([H])[C@@]14[H] |r,c:27,TLB:21:19:8:25.1,2:1:17.19.4:8,25:27:4.6:10.15,1:2:17:8.27.6,10:8:17:21.2,10:8:17.19.4:25.1,14:15:19.27:4.6,THB:12:10:19.27:4.6,21:19:4.6:10.15,23:21:17:8.27.6,2:4:8:25.1,2:4:19.27:10.15,25:27:17:21.2,24:25:17.19.4:8,1:6:17:21.2,1:6:19.27:10.15|

[H][C@]12[C@@]3([H])[C@@]4([H])[C@@]1([H])[C@]1([H])[C@@]5([H])CNC[C@@]5([H])[C@@]4([H])[C@@]4([H])[C@]3([H])CC[C@]2([H])[C@@]14[H] |r,TLB:21:19:8:25.1,2:1:17.19.4:8,25:27:4.6:10.15,1:2:17:8.27.6,10:8:17:21.2,10:8:17.19.4:25.1,14:15:19.27:4.6,THB:12:10:19.27:4.6,21:19:4.6:10.15,23:21:17:8.27.6,2:4:8:25.1,2:4:19.27:10.15,25:27:17:21.2,24:25:17.19.4:8,1:6:17:21.2,1:6:19.27:10.15|

[H][C@]12[C@@]3([H])[C@@]4([H])[C@@]1([H])[C@]1([H])[C@@]5([H])CN(C[C@@]5([H])[C@@]4([H])[C@@]4([H])[C@]3([H])CC[C@]2([H])[C@@]14[H])C(N)=N |r,TLB:21:19:8:25.1,2:1:17.19.4:8,25:27:4.6:10.15,1:2:17:8.27.6,10:8:17:21.2,10:8:17.19.4:25.1,14:15:19.27:4.6,THB:12:10:19.27:4.6,21:19:4.6:10.15,23:21:17:8.27.6,2:4:8:25.1,2:4:19.27:10.15,25:27:17:21.2,24:25:17.19.4:8,1:6:17:21.2,1:6:19.27:10.15|

[H][C@]12[C@@]3([H])[C@@]4([H])[C@@]1([H])[C@]1([H])[C@@]5([H])CN(C[C@@]5([H])[C@@]4([H])[C@@]4([H])[C@]3([H])C=C[C@]2([H])[C@@]14[H])C(N)=N |r,c:27,TLB:21:19:8:25.1,2:1:17.19.4:8,25:27:4.6:10.15,1:2:17:8.27.6,10:8:17:21.2,10:8:17.19.4:25.1,14:15:19.27:4.6,THB:12:10:19.27:4.6,21:19:4.6:10.15,23:21:17:8.27.6,2:4:8:25.1,2:4:19.27:10.15,25:27:17:21.2,24:25:17.19.4:8,1:6:17:21.2,1:6:19.27:10.15|

[H][C@@]12C3CC4[C@]1([H])[C@@]1([H])CNC[C@@]1([H])[C@@]4([H])[C@@]23[H] |r,TLB:2:1:4:12.7,2:16:4:12.7,11:12:4:1.16,THB:3:4:1.16:12.7,12:14:5:2.3,7:5:2.3:16.14,9:7:4:1.16|

[H][C@@]12C3CC4[C@]1([H])[C@@]1([H])CN(C[C@@]1([H])[C@@]4([H])[C@@]23[H])C(N)=N |r,TLB:2:1:4:12.7,2:16:4:12.7,11:12:4:1.16,THB:3:4:1.16:12.7,12:14:5:2.3,7:5:2.3:16.14,9:7:4:1.16|