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LSTM-Mol-Generation

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LSTM-Mol-Generation / Experiments /E. Coli Iteration Outputs /fsr /iter 4 /iter 4 gen fsr.csv

prajwalsahu5

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	SMILES,Predicted_activity,Probability
	Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(OC(N)=O)C2SC1,1,0.5315529108047485
	CC1CCC(=O)NC2C(=O)C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.8901554942131042
	CC1C(CO)OC(C)(C)C2SCC(CSc3nnnn3C)=C(C(=O)O)C(=O)N12,1,0.9339867830276489
	CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9405321478843689
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC(=O)OOC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9166659116744995
	CCN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9478779435157776
	CN(C)C1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9331246018409729
	CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CCN4)c3c2)CC1,1,0.9709779620170593
	CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9405321478843689
	CCN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9478779435157776
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(COc3nnnn3C)CSC12,1,0.9110217094421387
	CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
	CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9405321478843689
	CCCCCCCCCCCCCCCC[N+](C)(C)CC1CC1C,0,0.9556289911270142
	CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
	O=C(O)c1cn(C2CC2)c2cc(C3CCC(O)C3)ccc2c1=O,0,0.7964357733726501
	COC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.898070216178894
	CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(-c4ccccc4)c3c2)CC1,1,0.7320073843002319
	CC1=C(N)C(=O)C(S(C)(=O)=O)=C1,0,0.9977689981460571
	CCC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.889667272567749
	CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC1CCC2C(N)CNC1CC(CO)C2C,0,0.9978637099266052
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC1CC(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1,1,0.7483000159263611
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
	CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1,1,0.9296661019325256
	CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9405321478843689
	CCOC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9265080690383911
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC(=O)OOC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9166659116744995
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CCOC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9265080690383911
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CNCCCCCCC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9647257924079895
	CCOC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8563404083251953
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
	CCCN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9308534264564514
	NC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8884478211402893
	CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1,1,0.9296661019325256
	CC(C)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9586541056632996
	CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
	CC1CCC(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1,1,0.7795932292938232
	NC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8884478211402893
	CCN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9478779435157776
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC(C)C1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9147716760635376
	NC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8884478211402893
	COC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1,1,0.9016570448875427
	CC1CC(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.6775283813476562
	CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
	Cn1ncnc1SCC1=C(C(=O)O)N2C(=O)C(NS(C)(=O)=O)C2SC1,0,0.9498425126075745
	CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1,1,0.9296661019325256
	CC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9213360548019409
	CC(=O)OC1C(=O)n2c1nc(N1CCNCC1)c2C(=O)O,0,0.9893285632133484
	CN(C)C1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8795042634010315
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CN(C)C1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9331246018409729
	CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
	CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CNC1,1,0.9109234809875488
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CCN1,1,0.8833326101303101
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9405321478843689
	CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9405321478843689
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CNC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9392977356910706
	CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
	CCCCCCCCCCCCCCCC[N+](C)(C)OC(Br)CC1CC1O,0,0.9697214365005493
	NC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8884478211402893
	CC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9213360548019409
	CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CCOC(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9265080690383911
	CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C)c3c2)CC1,1,0.7803784608840942
	CC1CC(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1,1,0.7483000159263611
	CN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.9405321478843689
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061
	CC1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1,1,0.8832944631576538
	CC(=O)OOC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.9166659116744995
	CC(=O)OC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CSC12,1,0.927137017250061