User: I want to create a SMILES.
Assistant: This sounds very exciting. Should I consider any constraints for the generation?
User: Yes, please. The molecule can be described as:
The molecule is an ergot alkaloid that is ergoline substituted by a 2-methylbut-3-en-2-yl group at position 2 and methyl groups at positions 6 and 8 (the 8beta stereoisomer). It is isolated from an endophytic fungus, Aspergillus fumigatus, and exhibits potent cytotoxicity against human leukemia cells (K562). It has a role as an antineoplastic agent and an Aspergillus metabolite. It derives from a fumigaclavine C. It derives from a hydride of an ergoline.
Assistant: Got it, this SMILES fits this description: C=CC(C)(C)c1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3C[C@@H](C)CN1C
User: I want to {#come up with|create|generate!} a {#molecule |!}{SMILES__description}.
Assistant: {#This sounds very exciting. |This sounds very interesting. !}Should I consider any {#constraints|specific points!} for the {#generation|creation!}?
User: Yes, please. The molecule can be described {#by|as!}:
{description#}
Assistant: {#Ok|Got it!},{# here you go,|!} this {SMILES__description} fits {#your|this!} description: {SMILES#}
C=CC(C)(C)c1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3C[C@@H](C)CN1C
C[C@@H]1C[C@H]2[C@@H](CC3=C(NC4=CC=CC2=C34)C(C)(C)C=C)N(C1)C
(6aR,9R,10aR)-7,9-dimethyl-5-(2-methylbut-3-en-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
The molecule is an ergot alkaloid that is ergoline substituted by a 2-methylbut-3-en-2-yl group at position 2 and methyl groups at positions 6 and 8 (the 8beta stereoisomer). It is isolated from an endophytic fungus, Aspergillus fumigatus, and exhibits potent cytotoxicity against human leukemia cells (K562). It has a role as an antineoplastic agent and an Aspergillus metabolite. It derives from a fumigaclavine C. It derives from a hydride of an ergoline.