Datasets:

mtybilly
/

MuMOInstruct

id large_stringlengths 35 35	query large_stringlengths 366 509	response large_stringlengths 37 102	scoring_context large_stringlengths 454 547	task large_stringclasses 10 values	source_smiles large_stringlengths 15 98	target_smiles large_stringlengths 18 83	properties dict	instr_idx int64 0 5	split large_stringclasses 2 values	instr_setting large_stringclasses 1 value	ground_truth large_stringlengths 18 83	subtask large_stringclasses 10 values
mumoinstruct:train:47fd8ded3f7ee929	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5cnc6[nH]c(=O)c(=O)[nH]c6c5)CC4)cccc3[nH]2)cc1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized log...	<SMILES> CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5nccs5)CC4)cccc3[nH]2)cc1 </SMILES>	{"source_smiles": "CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5cnc6[nH]c(=O)c(=O)[nH]c6c5)CC4)cccc3[nH]2)cc1", "properties": {"plogp": {"source": 1.39, "target": 2.84, "change": 1.45}, "qed": {"source": 0.32, "target": 0.48, "change": 0.16}, "drd2": {"source": 0.17, "target": 0.78, "change": 0.61}, "bbbp": {"source": 0.51, "target"...	drd2+plogp+qed	CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5cnc6[nH]c(=O)c(=O)[nH]c6c5)CC4)cccc3[nH]2)cc1	CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5nccs5)CC4)cccc3[nH]2)cc1	{ "plogp": { "source": 1.39, "target": 2.84, "change": 1.45 }, "qed": { "source": 0.32, "target": 0.48, "change": 0.16 }, "drd2": { "source": 0.17, "target": 0.78, "change": 0.61 }, "bbbp": { "source": 0.51, "target": 0.85, "change": 0.34 }, "mutagenicit...	4	train	seen	CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5nccs5)CC4)cccc3[nH]2)cc1	drd2+plogp+qed
mumoinstruct:train:d9b7aa79c1adbf60	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CN(C)CCN(CCN(C)C)c1ccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)cc1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase Q...	<SMILES> CN(C)CCN(CCN(C)C)c1ccc(C(=O)N2CCc3ccc(O)cc3C2)cc1 </SMILES>	{"source_smiles": "CN(C)CCN(CCN(C)C)c1ccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)cc1", "properties": {"plogp": {"source": -0.09, "target": 0.97, "change": 1.06}, "qed": {"source": 0.54, "target": 0.72, "change": 0.18}, "drd2": {"source": 0.06, "target": 0.34, "change": 0.28}, "bbbp": {"source": 0.82, "target": 0.93, "change"...	drd2+plogp+qed	CN(C)CCN(CCN(C)C)c1ccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)cc1	CN(C)CCN(CCN(C)C)c1ccc(C(=O)N2CCc3ccc(O)cc3C2)cc1	{ "plogp": { "source": -0.09, "target": 0.97, "change": 1.06 }, "qed": { "source": 0.54, "target": 0.72, "change": 0.18 }, "drd2": { "source": 0.06, "target": 0.34, "change": 0.28 }, "bbbp": { "source": 0.82, "target": 0.93, "change": 0.11 }, "mutagenici...	4	train	seen	CN(C)CCN(CCN(C)C)c1ccc(C(=O)N2CCc3ccc(O)cc3C2)cc1	drd2+plogp+qed
mumoinstruct:train:17a1ab7bffd2b660	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=C(CC1COCCO1)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your r...	<SMILES> CC(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1 </SMILES>	{"source_smiles": "O=C(CC1COCCO1)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1", "properties": {"plogp": {"source": 1.44, "target": 2.5, "change": 1.06}, "qed": {"source": 0.67, "target": 0.83, "change": 0.16}, "drd2": {"source": 0.35, "target": 0.94, "change": 0.59}, "bbbp": {"source": 0.97, "target": 0.99, "change": 0.02}, "m...	drd2+plogp+qed	O=C(CC1COCCO1)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1	CC(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1	{ "plogp": { "source": 1.44, "target": 2.5, "change": 1.06 }, "qed": { "source": 0.67, "target": 0.83, "change": 0.16 }, "drd2": { "source": 0.35, "target": 0.94, "change": 0.59 }, "bbbp": { "source": 0.97, "target": 0.99, "change": 0.02 }, "mutagenicity...	5	train	seen	CC(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1	drd2+plogp+qed
mumoinstruct:train:4adcd88291be3f9e	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> COc1ccc(-n2nnnc2C)cc1CNC1CCCNC1c1ccccc1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response sho...	<SMILES> COc1ccc(F)cc1CNC1CCCNC1c1ccccc1 </SMILES>	{"source_smiles": "COc1ccc(-n2nnnc2C)cc1CNC1CCCNC1c1ccccc1", "properties": {"plogp": {"source": 0.11, "target": 1.14, "change": 1.03}, "qed": {"source": 0.69, "target": 0.89, "change": 0.2}, "drd2": {"source": 0.02, "target": 0.7, "change": 0.68}, "bbbp": {"source": 0.86, "target": 0.99, "change": 0.13}, "mutagenicity"...	drd2+plogp+qed	COc1ccc(-n2nnnc2C)cc1CNC1CCCNC1c1ccccc1	COc1ccc(F)cc1CNC1CCCNC1c1ccccc1	{ "plogp": { "source": 0.11, "target": 1.14, "change": 1.03 }, "qed": { "source": 0.69, "target": 0.89, "change": 0.2 }, "drd2": { "source": 0.02, "target": 0.7, "change": 0.68 }, "bbbp": { "source": 0.86, "target": 0.99, "change": 0.13 }, "mutagenicity"...	1	train	seen	COc1ccc(F)cc1CNC1CCCNC1c1ccccc1	drd2+plogp+qed
mumoinstruct:train:8ff9b3b43a1d6aa7	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=c1[nH]nc2c3c(cccc13)N=C(CN1CCN(S(=O)(=O)c3cccc(F)c3)CC1)N2 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase ...	<SMILES> O=c1[nH]nc2c3c(cccc13)N=C(CN1CCC(c3ccccc3)CC1)N2 </SMILES>	{"source_smiles": "O=c1[nH]nc2c3c(cccc13)N=C(CN1CCN(S(=O)(=O)c3cccc(F)c3)CC1)N2", "properties": {"plogp": {"source": -21.29, "target": -19.97, "change": 1.32}, "qed": {"source": 0.63, "target": 0.75, "change": 0.12}, "drd2": {"source": 0.18, "target": 0.84, "change": 0.66}, "bbbp": {"source": 0.77, "target": 0.98, "cha...	drd2+plogp+qed	O=c1[nH]nc2c3c(cccc13)N=C(CN1CCN(S(=O)(=O)c3cccc(F)c3)CC1)N2	O=c1[nH]nc2c3c(cccc13)N=C(CN1CCC(c3ccccc3)CC1)N2	{ "plogp": { "source": -21.29, "target": -19.97, "change": 1.32 }, "qed": { "source": 0.63, "target": 0.75, "change": 0.12 }, "drd2": { "source": 0.18, "target": 0.84, "change": 0.66 }, "bbbp": { "source": 0.77, "target": 0.98, "change": 0.21 }, "mutagen...	2	train	seen	O=c1[nH]nc2c3c(cccc13)N=C(CN1CCC(c3ccccc3)CC1)N2	drd2+plogp+qed
mumoinstruct:train:a034d34f6f06fdb4	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> Oc1ccc2c3c1OC1C(NCCOCCOCCNCc4ccccc4)CCC4(O)C(C2)N(CC2CC2)CCC314 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increa...	<SMILES> O=C(O)CNC1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5 </SMILES>	{"source_smiles": "Oc1ccc2c3c1OC1C(NCCOCCOCCNCc4ccccc4)CCC4(O)C(C2)N(CC2CC2)CCC314", "properties": {"plogp": {"source": -26.88, "target": -21.05, "change": 5.83}, "qed": {"source": 0.26, "target": 0.58, "change": 0.32}, "drd2": {"source": 0.08, "target": 0.6, "change": 0.52}, "bbbp": {"source": 0.75, "target": 0.73, "c...	drd2+plogp+qed	Oc1ccc2c3c1OC1C(NCCOCCOCCNCc4ccccc4)CCC4(O)C(C2)N(CC2CC2)CCC314	O=C(O)CNC1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5	{ "plogp": { "source": -26.88, "target": -21.05, "change": 5.83 }, "qed": { "source": 0.26, "target": 0.58, "change": 0.32 }, "drd2": { "source": 0.08, "target": 0.6, "change": 0.52 }, "bbbp": { "source": 0.75, "target": 0.73, "change": -0.02 }, "mutagen...	4	train	seen	O=C(O)CNC1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5	drd2+plogp+qed
mumoinstruct:train:a0656c2a16d7d894	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CONC(=O)c1ccc(Oc2ccc(C#CC3(O)CN4CCC3CC4)cc2)cc1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your resp...	<SMILES> OC1(C#Cc2ccc(Oc3ccc(Br)cc3)cc2)CN2CCC1CC2 </SMILES>	{"source_smiles": "CONC(=O)c1ccc(Oc2ccc(C#CC3(O)CN4CCC3CC4)cc2)cc1", "properties": {"plogp": {"source": -0.66, "target": 0.53, "change": 1.19}, "qed": {"source": 0.62, "target": 0.78, "change": 0.16}, "drd2": {"source": 0.06, "target": 0.65, "change": 0.59}, "bbbp": {"source": 0.63, "target": 0.88, "change": 0.25}, "mu...	drd2+plogp+qed	CONC(=O)c1ccc(Oc2ccc(C#CC3(O)CN4CCC3CC4)cc2)cc1	OC1(C#Cc2ccc(Oc3ccc(Br)cc3)cc2)CN2CCC1CC2	{ "plogp": { "source": -0.66, "target": 0.53, "change": 1.19 }, "qed": { "source": 0.62, "target": 0.78, "change": 0.16 }, "drd2": { "source": 0.06, "target": 0.65, "change": 0.59 }, "bbbp": { "source": 0.63, "target": 0.88, "change": 0.25 }, "mutagenici...	2	train	seen	OC1(C#Cc2ccc(Oc3ccc(Br)cc3)cc2)CN2CCC1CC2	drd2+plogp+qed
mumoinstruct:train:303937da079b1416	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> NC(CO)C(=O)N1CCC(CC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increas...	<SMILES> CC(=O)N1CCN(C2c3ccc(Cl)cc3CCc3cccnc32)CC1 </SMILES>	{"source_smiles": "NC(CO)C(=O)N1CCC(CC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1", "properties": {"plogp": {"source": -4.13, "target": -2.58, "change": 1.55}, "qed": {"source": 0.62, "target": 0.79, "change": 0.17}, "drd2": {"source": 0.12, "target": 0.55, "change": 0.43}, "bbbp": {"source": 0.76, "target": 0.99, "cha...	drd2+plogp+qed	NC(CO)C(=O)N1CCC(CC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1	CC(=O)N1CCN(C2c3ccc(Cl)cc3CCc3cccnc32)CC1	{ "plogp": { "source": -4.13, "target": -2.58, "change": 1.55 }, "qed": { "source": 0.62, "target": 0.79, "change": 0.17 }, "drd2": { "source": 0.12, "target": 0.55, "change": 0.43 }, "bbbp": { "source": 0.76, "target": 0.99, "change": 0.23 }, "mutagenic...	5	train	seen	CC(=O)N1CCN(C2c3ccc(Cl)cc3CCc3cccnc32)CC1	drd2+plogp+qed
mumoinstruct:train:a4071a10df830949	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=c1oc2ccccc2n1CCCN1CCN(CCn2c(=O)oc3ccccc32)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your resp...	<SMILES> O=c1oc2ccccc2n1CCN1CCN(Cc2ccc(Cl)cc2)CC1 </SMILES>	{"source_smiles": "O=c1oc2ccccc2n1CCCN1CCN(CCn2c(=O)oc3ccccc32)CC1", "properties": {"plogp": {"source": 0.79, "target": 1.83, "change": 1.04}, "qed": {"source": 0.45, "target": 0.69, "change": 0.24}, "drd2": {"source": 0.04, "target": 0.3, "change": 0.26}, "bbbp": {"source": 0.91, "target": 0.98, "change": 0.07}, "muta...	drd2+plogp+qed	O=c1oc2ccccc2n1CCCN1CCN(CCn2c(=O)oc3ccccc32)CC1	O=c1oc2ccccc2n1CCN1CCN(Cc2ccc(Cl)cc2)CC1	{ "plogp": { "source": 0.79, "target": 1.83, "change": 1.04 }, "qed": { "source": 0.45, "target": 0.69, "change": 0.24 }, "drd2": { "source": 0.04, "target": 0.3, "change": 0.26 }, "bbbp": { "source": 0.91, "target": 0.98, "change": 0.07 }, "mutagenicity...	0	train	seen	O=c1oc2ccccc2n1CCN1CCN(Cc2ccc(Cl)cc2)CC1	drd2+plogp+qed
mumoinstruct:train:2647c192f4b26a55	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> COc1ccc2c3c1OC1C4(OC)C=CC5(CC4C(=O)NN)C(C2)N(C)CCC315 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED You...	<SMILES> COc1ccc2c3c1OC1C4(OC)C=CC5(CC4c4ccccc4N)C(C2)N(C)CCC315 </SMILES>	{"source_smiles": "COc1ccc2c3c1OC1C4(OC)C=CC5(CC4C(=O)NN)C(C2)N(C)CCC315", "properties": {"plogp": {"source": -29.37, "target": -27.28, "change": 2.09}, "qed": {"source": 0.34, "target": 0.59, "change": 0.25}, "drd2": {"source": 0.04, "target": 0.53, "change": 0.49}, "bbbp": {"source": 0.92, "target": 1.0, "change": 0....	drd2+plogp+qed	COc1ccc2c3c1OC1C4(OC)C=CC5(CC4C(=O)NN)C(C2)N(C)CCC315	COc1ccc2c3c1OC1C4(OC)C=CC5(CC4c4ccccc4N)C(C2)N(C)CCC315	{ "plogp": { "source": -29.37, "target": -27.28, "change": 2.09 }, "qed": { "source": 0.34, "target": 0.59, "change": 0.25 }, "drd2": { "source": 0.04, "target": 0.53, "change": 0.49 }, "bbbp": { "source": 0.92, "target": 1, "change": 0.08 }, "mutagenici...	2	train	seen	COc1ccc2c3c1OC1C4(OC)C=CC5(CC4c4ccccc4N)C(C2)N(C)CCC315	drd2+plogp+qed
mumoinstruct:train:6106d29994f0d24f	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CC(C)CC(NC(=O)c1ccncc1)C(=O)NC1CCN(Cc2ccc(OCCCN(C)C)cc2)C1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QE...	<SMILES> CN(C)CCCOc1ccc(CN2CCC(NC(=O)c3ccc(Br)cc3)C2)cc1 </SMILES>	{"source_smiles": "CC(C)CC(NC(=O)c1ccncc1)C(=O)NC1CCN(Cc2ccc(OCCCN(C)C)cc2)C1", "properties": {"plogp": {"source": 0.49, "target": 1.81, "change": 1.32}, "qed": {"source": 0.42, "target": 0.58, "change": 0.16}, "drd2": {"source": 0.08, "target": 0.94, "change": 0.86}, "bbbp": {"source": 0.36, "target": 0.82, "change": ...	drd2+plogp+qed	CC(C)CC(NC(=O)c1ccncc1)C(=O)NC1CCN(Cc2ccc(OCCCN(C)C)cc2)C1	CN(C)CCCOc1ccc(CN2CCC(NC(=O)c3ccc(Br)cc3)C2)cc1	{ "plogp": { "source": 0.49, "target": 1.81, "change": 1.32 }, "qed": { "source": 0.42, "target": 0.58, "change": 0.16 }, "drd2": { "source": 0.08, "target": 0.94, "change": 0.86 }, "bbbp": { "source": 0.36, "target": 0.82, "change": 0.46 }, "mutagenicit...	1	train	seen	CN(C)CCCOc1ccc(CN2CCC(NC(=O)c3ccc(Br)cc3)C2)cc1	drd2+plogp+qed
mumoinstruct:train:e6d33f5f13ecdbce	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=C1CN(CCCOc2ccc3c(=O)ccoc3c2)CC(=O)N1c1ccccc1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your respo...	<SMILES> O=c1ccoc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc12 </SMILES>	{"source_smiles": "O=C1CN(CCCOc2ccc3c(=O)ccoc3c2)CC(=O)N1c1ccccc1", "properties": {"plogp": {"source": 0.91, "target": 1.96, "change": 1.05}, "qed": {"source": 0.47, "target": 0.59, "change": 0.12}, "drd2": {"source": 0.05, "target": 0.42, "change": 0.37}, "bbbp": {"source": 0.96, "target": 0.96, "change": 0.0}, "mutag...	drd2+plogp+qed	O=C1CN(CCCOc2ccc3c(=O)ccoc3c2)CC(=O)N1c1ccccc1	O=c1ccoc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc12	{ "plogp": { "source": 0.91, "target": 1.96, "change": 1.05 }, "qed": { "source": 0.47, "target": 0.59, "change": 0.12 }, "drd2": { "source": 0.05, "target": 0.42, "change": 0.37 }, "bbbp": { "source": 0.96, "target": 0.96, "change": 0 }, "mutagenicity":...	5	train	seen	O=c1ccoc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc12	drd2+plogp+qed
mumoinstruct:train:ad150a07cba9801b	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C=C(C)C)cc2)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your respons...	<SMILES> CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1 </SMILES>	{"source_smiles": "CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C=C(C)C)cc2)CC1", "properties": {"plogp": {"source": 1.87, "target": 2.91, "change": 1.04}, "qed": {"source": 0.4, "target": 0.54, "change": 0.14}, "drd2": {"source": 0.0, "target": 0.42, "change": 0.42}, "bbbp": {"source": 0.86, "target": 0.91, "change": 0.05}, "mutageni...	drd2+plogp+qed	CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C=C(C)C)cc2)CC1	CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1	{ "plogp": { "source": 1.87, "target": 2.91, "change": 1.04 }, "qed": { "source": 0.4, "target": 0.54, "change": 0.14 }, "drd2": { "source": 0, "target": 0.42, "change": 0.42 }, "bbbp": { "source": 0.86, "target": 0.91, "change": 0.05 }, "mutagenicity": ...	2	train	seen	CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1	drd2+plogp+qed
mumoinstruct:train:ed59222d214ed4b1	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=C1CNCC2=C1C(c1cccc(Oc3nc4ccccc4[nH]3)c1)c1c[nH]nc1N2 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Yo...	<SMILES> O=C1CNCC2=C1C(c1cccc(Oc3cc(Cl)cc(Cl)c3)c1)c1c[nH]nc1N2 </SMILES>	{"source_smiles": "O=C1CNCC2=C1C(c1cccc(Oc3nc4ccccc4[nH]3)c1)c1c[nH]nc1N2", "properties": {"plogp": {"source": -0.24, "target": 0.86, "change": 1.1}, "qed": {"source": 0.42, "target": 0.57, "change": 0.15}, "drd2": {"source": 0.09, "target": 0.44, "change": 0.35}, "bbbp": {"source": 0.71, "target": 0.77, "change": 0.06...	drd2+plogp+qed	O=C1CNCC2=C1C(c1cccc(Oc3nc4ccccc4[nH]3)c1)c1c[nH]nc1N2	O=C1CNCC2=C1C(c1cccc(Oc3cc(Cl)cc(Cl)c3)c1)c1c[nH]nc1N2	{ "plogp": { "source": -0.24, "target": 0.86, "change": 1.1 }, "qed": { "source": 0.42, "target": 0.57, "change": 0.15 }, "drd2": { "source": 0.09, "target": 0.44, "change": 0.35 }, "bbbp": { "source": 0.71, "target": 0.77, "change": 0.06 }, "mutagenicit...	5	train	seen	O=C1CNCC2=C1C(c1cccc(Oc3cc(Cl)cc(Cl)c3)c1)c1c[nH]nc1N2	drd2+plogp+qed
mumoinstruct:train:f74699185ac3d91a	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=C(NC12CC3CC(CC(C3)C1)C2)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) a...	<SMILES> OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 </SMILES>	{"source_smiles": "O=C(NC12CC3CC(CC(C3)C1)C2)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", "properties": {"plogp": {"source": -4.82, "target": 2.22, "change": 7.04}, "qed": {"source": 0.35, "target": 0.73, "change": 0.38}, "drd2": {"source": 0.06, "target": 0.78, "change": 0.72}, "bbbp": {"source": 0.98, "target": 0...	drd2+plogp+qed	O=C(NC12CC3CC(CC(C3)C1)C2)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1	OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1	{ "plogp": { "source": -4.82, "target": 2.22, "change": 7.04 }, "qed": { "source": 0.35, "target": 0.73, "change": 0.38 }, "drd2": { "source": 0.06, "target": 0.78, "change": 0.72 }, "bbbp": { "source": 0.98, "target": 0.98, "change": 0 }, "mutagenicity"...	5	train	seen	OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1	drd2+plogp+qed
mumoinstruct:train:9fef2cfd5e16f4aa	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> Cn1nnn(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c1=O </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your r...	<SMILES> CN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 </SMILES>	{"source_smiles": "Cn1nnn(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c1=O", "properties": {"plogp": {"source": 0.47, "target": 2.22, "change": 1.75}, "qed": {"source": 0.46, "target": 0.79, "change": 0.33}, "drd2": {"source": 0.07, "target": 0.51, "change": 0.44}, "bbbp": {"source": 0.94, "target": 0.99, "change": 0.05}, "...	drd2+plogp+qed	Cn1nnn(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c1=O	CN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1	{ "plogp": { "source": 0.47, "target": 2.22, "change": 1.75 }, "qed": { "source": 0.46, "target": 0.79, "change": 0.33 }, "drd2": { "source": 0.07, "target": 0.51, "change": 0.44 }, "bbbp": { "source": 0.94, "target": 0.99, "change": 0.05 }, "mutagenicit...	0	train	seen	CN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1	drd2+plogp+qed
mumoinstruct:train:0ffeea77893e991e	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> Cn1c(=O)oc2cc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)ccc21 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your re...	<SMILES> O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 </SMILES>	{"source_smiles": "Cn1c(=O)oc2cc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)ccc21", "properties": {"plogp": {"source": 0.89, "target": 2.29, "change": 1.4}, "qed": {"source": 0.71, "target": 0.89, "change": 0.18}, "drd2": {"source": 0.12, "target": 0.91, "change": 0.79}, "bbbp": {"source": 0.9, "target": 0.93, "change": 0.03}, "mut...	drd2+plogp+qed	Cn1c(=O)oc2cc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)ccc21	O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1	{ "plogp": { "source": 0.89, "target": 2.29, "change": 1.4 }, "qed": { "source": 0.71, "target": 0.89, "change": 0.18 }, "drd2": { "source": 0.12, "target": 0.91, "change": 0.79 }, "bbbp": { "source": 0.9, "target": 0.93, "change": 0.03 }, "mutagenicity"...	2	train	seen	O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1	drd2+plogp+qed
mumoinstruct:train:4f9a61bddf7904ff	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5cc(-c6nnn[nH]6)ccc45)cc3c2)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and incr...	<SMILES> CC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5cc(Cl)ccc45)cc3c2)CC1 </SMILES>	{"source_smiles": "CC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5cc(-c6nnn[nH]6)ccc45)cc3c2)CC1", "properties": {"plogp": {"source": 0.4, "target": 1.92, "change": 1.52}, "qed": {"source": 0.39, "target": 0.54, "change": 0.15}, "drd2": {"source": 0.11, "target": 0.63, "change": 0.52}, "bbbp": {"source": 0.44, "target": 0.77, "cha...	drd2+plogp+qed	CC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5cc(-c6nnn[nH]6)ccc45)cc3c2)CC1	CC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5cc(Cl)ccc45)cc3c2)CC1	{ "plogp": { "source": 0.4, "target": 1.92, "change": 1.52 }, "qed": { "source": 0.39, "target": 0.54, "change": 0.15 }, "drd2": { "source": 0.11, "target": 0.63, "change": 0.52 }, "bbbp": { "source": 0.44, "target": 0.77, "change": 0.33 }, "mutagenicity...	0	train	seen	CC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5cc(Cl)ccc45)cc3c2)CC1	drd2+plogp+qed
mumoinstruct:train:e3c6e18b46093007	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> N=C(N)N=C(N)Nc1ccc2[nH]c3c(c2c1)CC1(O)C2Cc4ccc(O)c5c4C1(CCN2CC1CC1)C3O5 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) an...	<SMILES> Oc1ccc2[nH]c3c(c2c1)CC1(O)C2Cc4ccc(O)c5c4C1(CCN2CC1CC1)C3O5 </SMILES>	{"source_smiles": "N=C(N)N=C(N)Nc1ccc2[nH]c3c(c2c1)CC1(O)C2Cc4ccc(O)c5c4C1(CCN2CC1CC1)C3O5", "properties": {"plogp": {"source": -20.49, "target": -19.32, "change": 1.17}, "qed": {"source": 0.21, "target": 0.5, "change": 0.29}, "drd2": {"source": 0.49, "target": 0.96, "change": 0.47}, "bbbp": {"source": 0.74, "target": ...	drd2+plogp+qed	N=C(N)N=C(N)Nc1ccc2[nH]c3c(c2c1)CC1(O)C2Cc4ccc(O)c5c4C1(CCN2CC1CC1)C3O5	Oc1ccc2[nH]c3c(c2c1)CC1(O)C2Cc4ccc(O)c5c4C1(CCN2CC1CC1)C3O5	{ "plogp": { "source": -20.49, "target": -19.32, "change": 1.17 }, "qed": { "source": 0.21, "target": 0.5, "change": 0.29 }, "drd2": { "source": 0.49, "target": 0.96, "change": 0.47 }, "bbbp": { "source": 0.74, "target": 0.88, "change": 0.14 }, "mutageni...	0	train	seen	Oc1ccc2[nH]c3c(c2c1)CC1(O)C2Cc4ccc(O)c5c4C1(CCN2CC1CC1)C3O5	drd2+plogp+qed
mumoinstruct:train:150304193901a6d3	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc2ccc1CCc1ccc(cc1)CC2 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED...	<SMILES> CC(=O)N1CCc2ccc(C(=O)CCCN3CCC(O)(c4ccc(Cl)cc4)CC3)cc2CC1 </SMILES>	{"source_smiles": "O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc2ccc1CCc1ccc(cc1)CC2", "properties": {"plogp": {"source": -19.77, "target": -1.4, "change": 18.37}, "qed": {"source": 0.42, "target": 0.64, "change": 0.22}, "drd2": {"source": 0.29, "target": 0.94, "change": 0.65}, "bbbp": {"source": 0.9, "target": 0.93, "change":...	drd2+plogp+qed	O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc2ccc1CCc1ccc(cc1)CC2	CC(=O)N1CCc2ccc(C(=O)CCCN3CCC(O)(c4ccc(Cl)cc4)CC3)cc2CC1	{ "plogp": { "source": -19.77, "target": -1.4, "change": 18.37 }, "qed": { "source": 0.42, "target": 0.64, "change": 0.22 }, "drd2": { "source": 0.29, "target": 0.94, "change": 0.65 }, "bbbp": { "source": 0.9, "target": 0.93, "change": 0.03 }, "mutagenic...	0	train	seen	CC(=O)N1CCc2ccc(C(=O)CCCN3CCC(O)(c4ccc(Cl)cc4)CC3)cc2CC1	drd2+plogp+qed
mumoinstruct:train:43ba2c23869468f4	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=C1NCC2(CCC3(O)C4Cc5ccc(O)cc5C3(CCN4CC3CC3)C2)N1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your re...	<SMILES> O=C1CCC2(O)C3Cc4ccc(O)cc4C2(CCN3CC2CC2)C1 </SMILES>	{"source_smiles": "O=C1NCC2(CCC3(O)C4Cc5ccc(O)cc5C3(CCN4CC3CC3)C2)N1", "properties": {"plogp": {"source": -10.44, "target": -8.76, "change": 1.68}, "qed": {"source": 0.63, "target": 0.87, "change": 0.24}, "drd2": {"source": 0.41, "target": 0.77, "change": 0.36}, "bbbp": {"source": 0.92, "target": 0.98, "change": 0.06},...	drd2+plogp+qed	O=C1NCC2(CCC3(O)C4Cc5ccc(O)cc5C3(CCN4CC3CC3)C2)N1	O=C1CCC2(O)C3Cc4ccc(O)cc4C2(CCN3CC2CC2)C1	{ "plogp": { "source": -10.44, "target": -8.76, "change": 1.68 }, "qed": { "source": 0.63, "target": 0.87, "change": 0.24 }, "drd2": { "source": 0.41, "target": 0.77, "change": 0.36 }, "bbbp": { "source": 0.92, "target": 0.98, "change": 0.06 }, "mutageni...	1	train	seen	O=C1CCC2(O)C3Cc4ccc(O)cc4C2(CCN3CC2CC2)C1	drd2+plogp+qed
mumoinstruct:train:cdb0f5c32fd89f06	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CCN1CCC(N(C(=O)NCc2ccc(F)cc2)C2CCN(CCO)CC2)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your respo...	<SMILES> CCN1CCC(N(C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)CC1 </SMILES>	{"source_smiles": "CCN1CCC(N(C(=O)NCc2ccc(F)cc2)C2CCN(CCO)CC2)CC1", "properties": {"plogp": {"source": 0.83, "target": 2.44, "change": 1.61}, "qed": {"source": 0.73, "target": 0.85, "change": 0.12}, "drd2": {"source": 0.09, "target": 0.35, "change": 0.26}, "bbbp": {"source": 0.8, "target": 0.99, "change": 0.19}, "mutag...	drd2+plogp+qed	CCN1CCC(N(C(=O)NCc2ccc(F)cc2)C2CCN(CCO)CC2)CC1	CCN1CCC(N(C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)CC1	{ "plogp": { "source": 0.83, "target": 2.44, "change": 1.61 }, "qed": { "source": 0.73, "target": 0.85, "change": 0.12 }, "drd2": { "source": 0.09, "target": 0.35, "change": 0.26 }, "bbbp": { "source": 0.8, "target": 0.99, "change": 0.19 }, "mutagenicity...	4	train	seen	CCN1CCC(N(C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)CC1	drd2+plogp+qed
mumoinstruct:train:bafc4da90792b82b	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CC1CN(CCC(=O)NCC(=O)O)CCC1(C)c1cccc(O)c1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response sh...	<SMILES> CC1CN(Cc2ccccc2)CCC1(C)c1cccc(O)c1 </SMILES>	{"source_smiles": "CC1CN(CCC(=O)NCC(=O)O)CCC1(C)c1cccc(O)c1", "properties": {"plogp": {"source": -0.51, "target": 1.71, "change": 2.22}, "qed": {"source": 0.73, "target": 0.92, "change": 0.19}, "drd2": {"source": 0.07, "target": 0.43, "change": 0.36}, "bbbp": {"source": 0.71, "target": 0.97, "change": 0.26}, "mutagenic...	drd2+plogp+qed	CC1CN(CCC(=O)NCC(=O)O)CCC1(C)c1cccc(O)c1	CC1CN(Cc2ccccc2)CCC1(C)c1cccc(O)c1	{ "plogp": { "source": -0.51, "target": 1.71, "change": 2.22 }, "qed": { "source": 0.73, "target": 0.92, "change": 0.19 }, "drd2": { "source": 0.07, "target": 0.43, "change": 0.36 }, "bbbp": { "source": 0.71, "target": 0.97, "change": 0.26 }, "mutagenici...	5	train	seen	CC1CN(Cc2ccccc2)CCC1(C)c1cccc(O)c1	drd2+plogp+qed
mumoinstruct:train:6f2a626f737b1431	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=c1cc2c(nn1CN1CCOCC1)CCC2 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response should only cont...	<SMILES> O=c1cc2c(nn1CN1CCC(c3ccccc3)CC1)CCC2 </SMILES>	{"source_smiles": "O=c1cc2c(nn1CN1CCOCC1)CCC2", "properties": {"plogp": {"source": -0.87, "target": 1.1, "change": 1.97}, "qed": {"source": 0.72, "target": 0.87, "change": 0.15}, "drd2": {"source": 0.02, "target": 0.82, "change": 0.8}, "bbbp": {"source": 0.99, "target": 1.0, "change": 0.01}, "mutagenicity": {"source": ...	drd2+plogp+qed	O=c1cc2c(nn1CN1CCOCC1)CCC2	O=c1cc2c(nn1CN1CCC(c3ccccc3)CC1)CCC2	{ "plogp": { "source": -0.87, "target": 1.1, "change": 1.97 }, "qed": { "source": 0.72, "target": 0.87, "change": 0.15 }, "drd2": { "source": 0.02, "target": 0.82, "change": 0.8 }, "bbbp": { "source": 0.99, "target": 1, "change": 0.01 }, "mutagenicity": ...	1	train	seen	O=c1cc2c(nn1CN1CCC(c3ccccc3)CC1)CCC2	drd2+plogp+qed
mumoinstruct:train:1bc75dff5da19e09	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> Clc1ccccc1CN1CCOCC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response should only contain a v...	<SMILES> Clc1ccccc1CN1CCN(c2ccccc2)CC1 </SMILES>	{"source_smiles": "Clc1ccccc1CN1CCOCC1", "properties": {"plogp": {"source": 1.71, "target": 2.82, "change": 1.11}, "qed": {"source": 0.74, "target": 0.85, "change": 0.11}, "drd2": {"source": 0.0, "target": 0.39, "change": 0.39}, "bbbp": {"source": 0.99, "target": 1.0, "change": 0.01}, "mutagenicity": {"source": 0.36, "...	drd2+plogp+qed	Clc1ccccc1CN1CCOCC1	Clc1ccccc1CN1CCN(c2ccccc2)CC1	{ "plogp": { "source": 1.71, "target": 2.82, "change": 1.11 }, "qed": { "source": 0.74, "target": 0.85, "change": 0.11 }, "drd2": { "source": 0, "target": 0.39, "change": 0.39 }, "bbbp": { "source": 0.99, "target": 1, "change": 0.01 }, "mutagenicity": { ...	0	train	seen	Clc1ccccc1CN1CCN(c2ccccc2)CC1	drd2+plogp+qed
mumoinstruct:train:1e1c1b70391f02a3	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=C1OC(Cn2ccnn2)CN1c1ccc(N2CCn3c(=O)c4cccnc4n3CC2)c(F)c1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED ...	<SMILES> Nc1ccc(CN2CCN(c3ccc(N4CC(Cn5ccnn5)OC4=O)cc3F)CC2)cc1 </SMILES>	{"source_smiles": "O=C1OC(Cn2ccnn2)CN1c1ccc(N2CCn3c(=O)c4cccnc4n3CC2)c(F)c1", "properties": {"plogp": {"source": -4.65, "target": 0.08, "change": 4.73}, "qed": {"source": 0.45, "target": 0.58, "change": 0.13}, "drd2": {"source": 0.01, "target": 0.36, "change": 0.35}, "bbbp": {"source": 0.59, "target": 0.55, "change": -...	drd2+plogp+qed	O=C1OC(Cn2ccnn2)CN1c1ccc(N2CCn3c(=O)c4cccnc4n3CC2)c(F)c1	Nc1ccc(CN2CCN(c3ccc(N4CC(Cn5ccnn5)OC4=O)cc3F)CC2)cc1	{ "plogp": { "source": -4.65, "target": 0.08, "change": 4.73 }, "qed": { "source": 0.45, "target": 0.58, "change": 0.13 }, "drd2": { "source": 0.01, "target": 0.36, "change": 0.35 }, "bbbp": { "source": 0.59, "target": 0.55, "change": -0.04 }, "mutagenic...	2	train	seen	Nc1ccc(CN2CCN(c3ccc(N4CC(Cn5ccnn5)OC4=O)cc3F)CC2)cc1	drd2+plogp+qed
mumoinstruct:train:d52a2aa33a910922	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=C(CC1CC(O)CO1)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your...	<SMILES> O=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1CC1(F)F </SMILES>	{"source_smiles": "O=C(CC1CC(O)CO1)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1", "properties": {"plogp": {"source": -1.02, "target": 0.16, "change": 1.18}, "qed": {"source": 0.64, "target": 0.75, "change": 0.11}, "drd2": {"source": 0.28, "target": 0.91, "change": 0.63}, "bbbp": {"source": 0.76, "target": 0.97, "change": 0.21}...	drd2+plogp+qed	O=C(CC1CC(O)CO1)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1	O=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1CC1(F)F	{ "plogp": { "source": -1.02, "target": 0.16, "change": 1.18 }, "qed": { "source": 0.64, "target": 0.75, "change": 0.11 }, "drd2": { "source": 0.28, "target": 0.91, "change": 0.63 }, "bbbp": { "source": 0.76, "target": 0.97, "change": 0.21 }, "mutagenici...	1	train	seen	O=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1CC1(F)F	drd2+plogp+qed
mumoinstruct:train:b41418c2e2da634a	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> COc1ccc2[nH]cc(CCNCc3ccc(C=CC(=O)NO)cc3)c2c1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your respons...	<SMILES> COc1ccc2[nH]cc(CCNCc3ccc(Br)cc3)c2c1 </SMILES>	{"source_smiles": "COc1ccc2[nH]cc(CCNCc3ccc(C=CC(=O)NO)cc3)c2c1", "properties": {"plogp": {"source": 1.51, "target": 2.76, "change": 1.25}, "qed": {"source": 0.21, "target": 0.65, "change": 0.44}, "drd2": {"source": 0.11, "target": 0.44, "change": 0.33}, "bbbp": {"source": 0.82, "target": 0.92, "change": 0.1}, "mutagen...	drd2+plogp+qed	COc1ccc2[nH]cc(CCNCc3ccc(C=CC(=O)NO)cc3)c2c1	COc1ccc2[nH]cc(CCNCc3ccc(Br)cc3)c2c1	{ "plogp": { "source": 1.51, "target": 2.76, "change": 1.25 }, "qed": { "source": 0.21, "target": 0.65, "change": 0.44 }, "drd2": { "source": 0.11, "target": 0.44, "change": 0.33 }, "bbbp": { "source": 0.82, "target": 0.92, "change": 0.1 }, "mutagenicity...	0	train	seen	COc1ccc2[nH]cc(CCNCc3ccc(Br)cc3)c2c1	drd2+plogp+qed
mumoinstruct:train:9f30c9eb224df07c	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> c1cncc(CNCCN2CCNCC2)c1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response should only contain ...	<SMILES> c1ccc(CC2CCN(CCNCc3cccnc3)CC2)cc1 </SMILES>	{"source_smiles": "c1cncc(CNCCN2CCNCC2)c1", "properties": {"plogp": {"source": -0.32, "target": 1.99, "change": 2.31}, "qed": {"source": 0.69, "target": 0.8, "change": 0.11}, "drd2": {"source": 0.04, "target": 0.85, "change": 0.81}, "bbbp": {"source": 0.73, "target": 0.96, "change": 0.23}, "mutagenicity": {"source": 0....	drd2+plogp+qed	c1cncc(CNCCN2CCNCC2)c1	c1ccc(CC2CCN(CCNCc3cccnc3)CC2)cc1	{ "plogp": { "source": -0.32, "target": 1.99, "change": 2.31 }, "qed": { "source": 0.69, "target": 0.8, "change": 0.11 }, "drd2": { "source": 0.04, "target": 0.85, "change": 0.81 }, "bbbp": { "source": 0.73, "target": 0.96, "change": 0.23 }, "mutagenicit...	4	train	seen	c1ccc(CC2CCN(CCNCc3cccnc3)CC2)cc1	drd2+plogp+qed
mumoinstruct:train:9224c8816570a184	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=C1C2CC=CCC2C(=O)N1CCN1CCN(c2cccc3c2OCCO3)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your respo...	<SMILES> O=C1c2ccccc2C(=O)N1CCN1CCN(c2cccc3c2OCCO3)CC1 </SMILES>	{"source_smiles": "O=C1C2CC=CCC2C(=O)N1CCN1CCN(c2cccc3c2OCCO3)CC1", "properties": {"plogp": {"source": -0.78, "target": 0.69, "change": 1.47}, "qed": {"source": 0.57, "target": 0.74, "change": 0.17}, "drd2": {"source": 0.06, "target": 0.55, "change": 0.49}, "bbbp": {"source": 0.99, "target": 0.99, "change": 0.0}, "muta...	drd2+plogp+qed	O=C1C2CC=CCC2C(=O)N1CCN1CCN(c2cccc3c2OCCO3)CC1	O=C1c2ccccc2C(=O)N1CCN1CCN(c2cccc3c2OCCO3)CC1	{ "plogp": { "source": -0.78, "target": 0.69, "change": 1.47 }, "qed": { "source": 0.57, "target": 0.74, "change": 0.17 }, "drd2": { "source": 0.06, "target": 0.55, "change": 0.49 }, "bbbp": { "source": 0.99, "target": 0.99, "change": 0 }, "mutagenicity"...	0	train	seen	O=C1c2ccccc2C(=O)N1CCN1CCN(c2cccc3c2OCCO3)CC1	drd2+plogp+qed
mumoinstruct:train:751333f38dfbfab8	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CS(=O)(=O)N1CCN(S(C)(=O)=O)C(CN2CCC(c3cc(-c4ccncc4)c(-c4ccc(F)cc4)[nH]3)CC2)C1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized l...	<SMILES> CC(=O)N1CCN(C(C)=O)C(CN2CCC(c3cc(-c4ccncc4)c(-c4ccc(F)cc4)[nH]3)CC2)C1 </SMILES>	{"source_smiles": "CS(=O)(=O)N1CCN(S(C)(=O)=O)C(CN2CCC(c3cc(-c4ccncc4)c(-c4ccc(F)cc4)[nH]3)CC2)C1", "properties": {"plogp": {"source": 0.06, "target": 1.06, "change": 1.0}, "qed": {"source": 0.46, "target": 0.57, "change": 0.11}, "drd2": {"source": 0.42, "target": 0.64, "change": 0.22}, "bbbp": {"source": 0.7, "target"...	drd2+plogp+qed	CS(=O)(=O)N1CCN(S(C)(=O)=O)C(CN2CCC(c3cc(-c4ccncc4)c(-c4ccc(F)cc4)[nH]3)CC2)C1	CC(=O)N1CCN(C(C)=O)C(CN2CCC(c3cc(-c4ccncc4)c(-c4ccc(F)cc4)[nH]3)CC2)C1	{ "plogp": { "source": 0.06, "target": 1.06, "change": 1 }, "qed": { "source": 0.46, "target": 0.57, "change": 0.11 }, "drd2": { "source": 0.42, "target": 0.64, "change": 0.22 }, "bbbp": { "source": 0.7, "target": 0.65, "change": -0.05 }, "mutagenicity":...	0	train	seen	CC(=O)N1CCN(C(C)=O)C(CN2CCC(c3cc(-c4ccncc4)c(-c4ccc(F)cc4)[nH]3)CC2)C1	drd2+plogp+qed
mumoinstruct:train:4089f621a45b2f81	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4cnc(N5CCC(N)C5)nc4)c3c2)cc(Cl)c1O </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and in...	<SMILES> COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC4CCN(C)CC4)c3c2)cc(Cl)c1O </SMILES>	{"source_smiles": "COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4cnc(N5CCC(N)C5)nc4)c3c2)cc(Cl)c1O", "properties": {"plogp": {"source": 1.57, "target": 2.72, "change": 1.15}, "qed": {"source": 0.28, "target": 0.48, "change": 0.2}, "drd2": {"source": 0.02, "target": 0.35, "change": 0.33}, "bbbp": {"source": 0.45, "target": 0.9, "ch...	drd2+plogp+qed	COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4cnc(N5CCC(N)C5)nc4)c3c2)cc(Cl)c1O	COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC4CCN(C)CC4)c3c2)cc(Cl)c1O	{ "plogp": { "source": 1.57, "target": 2.72, "change": 1.15 }, "qed": { "source": 0.28, "target": 0.48, "change": 0.2 }, "drd2": { "source": 0.02, "target": 0.35, "change": 0.33 }, "bbbp": { "source": 0.45, "target": 0.9, "change": 0.45 }, "mutagenicity"...	0	train	seen	COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC4CCN(C)CC4)c3c2)cc(Cl)c1O	drd2+plogp+qed
mumoinstruct:train:c7bb12b193c33aea	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CN1CC(C(=O)N2CCN(c3ccc4nsnc4n3)CC2)CC2c3cccc4[nH]c(Cl)c(c34)CC21 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and incre...	<SMILES> CN1CC(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)CC2c3cccc4[nH]c(Cl)c(c34)CC21 </SMILES>	{"source_smiles": "CN1CC(C(=O)N2CCN(c3ccc4nsnc4n3)CC2)CC2c3cccc4[nH]c(Cl)c(c34)CC21", "properties": {"plogp": {"source": -0.32, "target": 0.75, "change": 1.07}, "qed": {"source": 0.45, "target": 0.59, "change": 0.14}, "drd2": {"source": 0.22, "target": 0.79, "change": 0.57}, "bbbp": {"source": 0.86, "target": 0.97, "ch...	drd2+plogp+qed	CN1CC(C(=O)N2CCN(c3ccc4nsnc4n3)CC2)CC2c3cccc4[nH]c(Cl)c(c34)CC21	CN1CC(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)CC2c3cccc4[nH]c(Cl)c(c34)CC21	{ "plogp": { "source": -0.32, "target": 0.75, "change": 1.07 }, "qed": { "source": 0.45, "target": 0.59, "change": 0.14 }, "drd2": { "source": 0.22, "target": 0.79, "change": 0.57 }, "bbbp": { "source": 0.86, "target": 0.97, "change": 0.11 }, "mutagenici...	0	train	seen	CN1CC(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)CC2c3cccc4[nH]c(Cl)c(c34)CC21	drd2+plogp+qed
mumoinstruct:train:d2bae3aa2e13e048	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=C(NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1)C12CC3CC(CC(C3)C1)C2 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase...	<SMILES> O=C(CC(O)C(F)(F)F)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1 </SMILES>	{"source_smiles": "O=C(NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1)C12CC3CC(CC(C3)C1)C2", "properties": {"plogp": {"source": -4.7, "target": 1.76, "change": 6.46}, "qed": {"source": 0.48, "target": 0.6, "change": 0.12}, "drd2": {"source": 0.04, "target": 0.86, "change": 0.82}, "bbbp": {"source": 0.94, "target": 0.99, "change"...	drd2+plogp+qed	O=C(NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1)C12CC3CC(CC(C3)C1)C2	O=C(CC(O)C(F)(F)F)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1	{ "plogp": { "source": -4.7, "target": 1.76, "change": 6.46 }, "qed": { "source": 0.48, "target": 0.6, "change": 0.12 }, "drd2": { "source": 0.04, "target": 0.86, "change": 0.82 }, "bbbp": { "source": 0.94, "target": 0.99, "change": 0.05 }, "mutagenicity...	2	train	seen	O=C(CC(O)C(F)(F)F)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1	drd2+plogp+qed
mumoinstruct:train:9c24b212ac542e4b	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CCCS(=O)(=O)Nc1ccc(NCC(=O)N(C)C(CN2CCC(O)C2)c2ccccc2)cc1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED ...	<SMILES> CN(C(=O)CNc1ccc(Cl)c(Cl)c1)C(CN1CCC(O)C1)c1ccccc1 </SMILES>	{"source_smiles": "CCCS(=O)(=O)Nc1ccc(NCC(=O)N(C)C(CN2CCC(O)C2)c2ccccc2)cc1", "properties": {"plogp": {"source": 0.02, "target": 1.05, "change": 1.03}, "qed": {"source": 0.46, "target": 0.72, "change": 0.26}, "drd2": {"source": 0.01, "target": 0.39, "change": 0.38}, "bbbp": {"source": 0.28, "target": 0.8, "change": 0.5...	drd2+plogp+qed	CCCS(=O)(=O)Nc1ccc(NCC(=O)N(C)C(CN2CCC(O)C2)c2ccccc2)cc1	CN(C(=O)CNc1ccc(Cl)c(Cl)c1)C(CN1CCC(O)C1)c1ccccc1	{ "plogp": { "source": 0.02, "target": 1.05, "change": 1.03 }, "qed": { "source": 0.46, "target": 0.72, "change": 0.26 }, "drd2": { "source": 0.01, "target": 0.39, "change": 0.38 }, "bbbp": { "source": 0.28, "target": 0.8, "change": 0.52 }, "mutagenicity...	5	train	seen	CN(C(=O)CNc1ccc(Cl)c(Cl)c1)C(CN1CCC(O)C1)c1ccccc1	drd2+plogp+qed
mumoinstruct:train:658dddcd48192c39	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> COc1ccc(-n2cnnn2)cc1CNC1CCCNC1c1ccccc1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response shou...	<SMILES> COc1ccc(C(C)(C)C)cc1CNC1CCCNC1c1ccccc1 </SMILES>	{"source_smiles": "COc1ccc(-n2cnnn2)cc1CNC1CCCNC1c1ccccc1", "properties": {"plogp": {"source": -0.09, "target": 1.79, "change": 1.88}, "qed": {"source": 0.7, "target": 0.83, "change": 0.13}, "drd2": {"source": 0.03, "target": 0.38, "change": 0.35}, "bbbp": {"source": 0.86, "target": 0.94, "change": 0.08}, "mutagenicity...	drd2+plogp+qed	COc1ccc(-n2cnnn2)cc1CNC1CCCNC1c1ccccc1	COc1ccc(C(C)(C)C)cc1CNC1CCCNC1c1ccccc1	{ "plogp": { "source": -0.09, "target": 1.79, "change": 1.88 }, "qed": { "source": 0.7, "target": 0.83, "change": 0.13 }, "drd2": { "source": 0.03, "target": 0.38, "change": 0.35 }, "bbbp": { "source": 0.86, "target": 0.94, "change": 0.08 }, "mutagenicit...	4	train	seen	COc1ccc(C(C)(C)C)cc1CNC1CCCNC1c1ccccc1	drd2+plogp+qed
mumoinstruct:train:8bb5e6a2e3a93bd4	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> C=C1CC(CN2CCC3(C)c4cc(O)ccc4CC2C3C)OC1=O </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response sh...	<SMILES> CC1C2Cc3ccc(O)cc3C1(C)CCN2CC1CC1 </SMILES>	{"source_smiles": "C=C1CC(CN2CCC3(C)c4cc(O)ccc4CC2C3C)OC1=O", "properties": {"plogp": {"source": -1.63, "target": -0.56, "change": 1.07}, "qed": {"source": 0.67, "target": 0.89, "change": 0.22}, "drd2": {"source": 0.17, "target": 0.96, "change": 0.79}, "bbbp": {"source": 0.96, "target": 0.99, "change": 0.03}, "mutageni...	drd2+plogp+qed	C=C1CC(CN2CCC3(C)c4cc(O)ccc4CC2C3C)OC1=O	CC1C2Cc3ccc(O)cc3C1(C)CCN2CC1CC1	{ "plogp": { "source": -1.63, "target": -0.56, "change": 1.07 }, "qed": { "source": 0.67, "target": 0.89, "change": 0.22 }, "drd2": { "source": 0.17, "target": 0.96, "change": 0.79 }, "bbbp": { "source": 0.96, "target": 0.99, "change": 0.03 }, "mutagenic...	4	train	seen	CC1C2Cc3ccc(O)cc3C1(C)CCN2CC1CC1	drd2+plogp+qed
mumoinstruct:train:fe3a3577514b17f7	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C=C(C)C)cc2)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your respons...	<SMILES> CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Br)cc3)cc2)CC1 </SMILES>	{"source_smiles": "CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C=C(C)C)cc2)CC1", "properties": {"plogp": {"source": 1.87, "target": 3.05, "change": 1.18}, "qed": {"source": 0.4, "target": 0.58, "change": 0.18}, "drd2": {"source": 0.0, "target": 0.52, "change": 0.52}, "bbbp": {"source": 0.86, "target": 0.96, "change": 0.1}, "mutagenic...	drd2+plogp+qed	CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C=C(C)C)cc2)CC1	CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Br)cc3)cc2)CC1	{ "plogp": { "source": 1.87, "target": 3.05, "change": 1.18 }, "qed": { "source": 0.4, "target": 0.58, "change": 0.18 }, "drd2": { "source": 0, "target": 0.52, "change": 0.52 }, "bbbp": { "source": 0.86, "target": 0.96, "change": 0.1 }, "mutagenicity": {...	1	train	seen	CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Br)cc3)cc2)CC1	drd2+plogp+qed
mumoinstruct:train:e7a63b35926f273d	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increa...	<SMILES> COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)Cc2ccc(Br)cc2)CC1 </SMILES>	{"source_smiles": "COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)c2ccc([N+](=O)[O-])o2)CC1", "properties": {"plogp": {"source": 0.88, "target": 1.99, "change": 1.11}, "qed": {"source": 0.24, "target": 0.37, "change": 0.13}, "drd2": {"source": 0.19, "target": 0.83, "change": 0.64}, "bbbp": {"source": 0.9, "target": 0.87, "chang...	drd2+plogp+qed	COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)c2ccc([N+](=O)[O-])o2)CC1	COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)Cc2ccc(Br)cc2)CC1	{ "plogp": { "source": 0.88, "target": 1.99, "change": 1.11 }, "qed": { "source": 0.24, "target": 0.37, "change": 0.13 }, "drd2": { "source": 0.19, "target": 0.83, "change": 0.64 }, "bbbp": { "source": 0.9, "target": 0.87, "change": -0.03 }, "mutagenicit...	0	train	seen	COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)Cc2ccc(Br)cc2)CC1	drd2+plogp+qed
mumoinstruct:train:bdebcaf9cf301363	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> c1ccc(CCN2CCOCC2)cc1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response should only contain a ...	<SMILES> c1ccc(CCN2CCN(c3ccccc3)CC2)cc1 </SMILES>	{"source_smiles": "c1ccc(CCN2CCOCC2)cc1", "properties": {"plogp": {"source": 1.41, "target": 2.48, "change": 1.07}, "qed": {"source": 0.72, "target": 0.84, "change": 0.12}, "drd2": {"source": 0.0, "target": 0.93, "change": 0.93}, "bbbp": {"source": 0.99, "target": 1.0, "change": 0.01}, "mutagenicity": {"source": 0.5, "...	drd2+plogp+qed	c1ccc(CCN2CCOCC2)cc1	c1ccc(CCN2CCN(c3ccccc3)CC2)cc1	{ "plogp": { "source": 1.41, "target": 2.48, "change": 1.07 }, "qed": { "source": 0.72, "target": 0.84, "change": 0.12 }, "drd2": { "source": 0, "target": 0.93, "change": 0.93 }, "bbbp": { "source": 0.99, "target": 1, "change": 0.01 }, "mutagenicity": { ...	4	train	seen	c1ccc(CCN2CCN(c3ccccc3)CC2)cc1	drd2+plogp+qed
mumoinstruct:train:f9600fd0e952560d	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> NC(CSCC(=O)NC1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5)C(=O)O </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase...	<SMILES> Nc1ccc(C(=O)NC2CCC3(O)C4Cc5ccc(O)c6c5C3(CCN4CC3CC3)C2O6)cc1 </SMILES>	{"source_smiles": "NC(CSCC(=O)NC1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5)C(=O)O", "properties": {"plogp": {"source": -21.6, "target": -19.93, "change": 1.67}, "qed": {"source": 0.34, "target": 0.52, "change": 0.18}, "drd2": {"source": 0.06, "target": 0.77, "change": 0.71}, "bbbp": {"source": 0.52, "target": 0.85, "cha...	drd2+plogp+qed	NC(CSCC(=O)NC1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5)C(=O)O	Nc1ccc(C(=O)NC2CCC3(O)C4Cc5ccc(O)c6c5C3(CCN4CC3CC3)C2O6)cc1	{ "plogp": { "source": -21.6, "target": -19.93, "change": 1.67 }, "qed": { "source": 0.34, "target": 0.52, "change": 0.18 }, "drd2": { "source": 0.06, "target": 0.77, "change": 0.71 }, "bbbp": { "source": 0.52, "target": 0.85, "change": 0.33 }, "mutageni...	4	train	seen	Nc1ccc(C(=O)NC2CCC3(O)C4Cc5ccc(O)c6c5C3(CCN4CC3CC3)C2O6)cc1	drd2+plogp+qed
mumoinstruct:train:7e27be83acc4cd61	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CN1c2ccccc2C(=O)NC12CCNCC2 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response should only cont...	<SMILES> CN1c2ccccc2C(=O)NC12CCN(Cc1ccccc1)CC2 </SMILES>	{"source_smiles": "CN1c2ccccc2C(=O)NC12CCNCC2", "properties": {"plogp": {"source": -1.09, "target": 0.84, "change": 1.93}, "qed": {"source": 0.7, "target": 0.92, "change": 0.22}, "drd2": {"source": 0.07, "target": 0.33, "change": 0.26}, "bbbp": {"source": 0.99, "target": 1.0, "change": 0.01}, "mutagenicity": {"source":...	drd2+plogp+qed	CN1c2ccccc2C(=O)NC12CCNCC2	CN1c2ccccc2C(=O)NC12CCN(Cc1ccccc1)CC2	{ "plogp": { "source": -1.09, "target": 0.84, "change": 1.93 }, "qed": { "source": 0.7, "target": 0.92, "change": 0.22 }, "drd2": { "source": 0.07, "target": 0.33, "change": 0.26 }, "bbbp": { "source": 0.99, "target": 1, "change": 0.01 }, "mutagenicity":...	4	train	seen	CN1c2ccccc2C(=O)NC12CCN(Cc1ccccc1)CC2	drd2+plogp+qed
mumoinstruct:train:f64fe0a7618ca791	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CCC(CC)(C(=O)NC1CC2CC(c3cccc(O)c3)(C1)C(C)CN2CCCc1ccccc1)c1ccccc1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and incr...	<SMILES> CC1CN(CCCc2ccccc2)C2CC(N(C)C)CC1(c1cccc(O)c1)C2 </SMILES>	{"source_smiles": "CCC(CC)(C(=O)NC1CC2CC(c3cccc(O)c3)(C1)C(C)CN2CCCc1ccccc1)c1ccccc1", "properties": {"plogp": {"source": -5.64, "target": 0.11, "change": 5.75}, "qed": {"source": 0.29, "target": 0.77, "change": 0.48}, "drd2": {"source": 0.08, "target": 0.74, "change": 0.66}, "bbbp": {"source": 0.86, "target": 0.99, "c...	drd2+plogp+qed	CCC(CC)(C(=O)NC1CC2CC(c3cccc(O)c3)(C1)C(C)CN2CCCc1ccccc1)c1ccccc1	CC1CN(CCCc2ccccc2)C2CC(N(C)C)CC1(c1cccc(O)c1)C2	{ "plogp": { "source": -5.64, "target": 0.11, "change": 5.75 }, "qed": { "source": 0.29, "target": 0.77, "change": 0.48 }, "drd2": { "source": 0.08, "target": 0.74, "change": 0.66 }, "bbbp": { "source": 0.86, "target": 0.99, "change": 0.13 }, "mutagenici...	5	train	seen	CC1CN(CCCc2ccccc2)C2CC(N(C)C)CC1(c1cccc(O)c1)C2	drd2+plogp+qed
mumoinstruct:train:f9600fd0e952560d	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> NC(CSCC(=O)NC1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5)C(=O)O </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase...	<SMILES> COc1cccc(CC(=O)NC2CCC3(O)C4Cc5ccc(O)c6c5C3(CCN4CC3CC3)C2O6)c1 </SMILES>	{"source_smiles": "NC(CSCC(=O)NC1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5)C(=O)O", "properties": {"plogp": {"source": -21.6, "target": -19.68, "change": 1.92}, "qed": {"source": 0.34, "target": 0.58, "change": 0.24}, "drd2": {"source": 0.06, "target": 0.3, "change": 0.24}, "bbbp": {"source": 0.52, "target": 0.75, "chan...	drd2+plogp+qed	NC(CSCC(=O)NC1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5)C(=O)O	COc1cccc(CC(=O)NC2CCC3(O)C4Cc5ccc(O)c6c5C3(CCN4CC3CC3)C2O6)c1	{ "plogp": { "source": -21.6, "target": -19.68, "change": 1.92 }, "qed": { "source": 0.34, "target": 0.58, "change": 0.24 }, "drd2": { "source": 0.06, "target": 0.3, "change": 0.24 }, "bbbp": { "source": 0.52, "target": 0.75, "change": 0.23 }, "mutagenic...	4	train	seen	COc1cccc(CC(=O)NC2CCC3(O)C4Cc5ccc(O)c6c5C3(CCN4CC3CC3)C2O6)c1	drd2+plogp+qed
mumoinstruct:train:bc286c8b2844e850	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CCc1ncnc(N2CC[S+]([O-])CC2)c1C#Cc1ccc(N)nc1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response...	<SMILES> CCc1ncnc(N2CCN(C)CC2)c1C#Cc1ccc(N)nc1 </SMILES>	{"source_smiles": "CCc1ncnc(N2CC[S+]([O-])CC2)c1C#Cc1ccc(N)nc1", "properties": {"plogp": {"source": -1.59, "target": -0.32, "change": 1.27}, "qed": {"source": 0.65, "target": 0.84, "change": 0.19}, "drd2": {"source": 0.02, "target": 0.23, "change": 0.21}, "bbbp": {"source": 0.62, "target": 0.78, "change": 0.16}, "mutag...	drd2+plogp+qed	CCc1ncnc(N2CC[S+]([O-])CC2)c1C#Cc1ccc(N)nc1	CCc1ncnc(N2CCN(C)CC2)c1C#Cc1ccc(N)nc1	{ "plogp": { "source": -1.59, "target": -0.32, "change": 1.27 }, "qed": { "source": 0.65, "target": 0.84, "change": 0.19 }, "drd2": { "source": 0.02, "target": 0.23, "change": 0.21 }, "bbbp": { "source": 0.62, "target": 0.78, "change": 0.16 }, "mutagenic...	5	train	seen	CCc1ncnc(N2CCN(C)CC2)c1C#Cc1ccc(N)nc1	drd2+plogp+qed
mumoinstruct:train:a3799efa6997602f	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CNC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1NC </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Yo...	<SMILES> CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1 </SMILES>	{"source_smiles": "CNC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1NC", "properties": {"plogp": {"source": -0.68, "target": 1.21, "change": 1.89}, "qed": {"source": 0.58, "target": 0.73, "change": 0.15}, "drd2": {"source": 0.16, "target": 0.64, "change": 0.48}, "bbbp": {"source": 0.12, "target": 0.28, "change": 0.1...	drd2+plogp+qed	CNC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1NC	CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1	{ "plogp": { "source": -0.68, "target": 1.21, "change": 1.89 }, "qed": { "source": 0.58, "target": 0.73, "change": 0.15 }, "drd2": { "source": 0.16, "target": 0.64, "change": 0.48 }, "bbbp": { "source": 0.12, "target": 0.28, "change": 0.16 }, "mutagenici...	4	train	seen	CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1	drd2+plogp+qed
mumoinstruct:train:40dfe1ad568c35ea	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> NC(CSCC(=O)NC1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5)C(=O)O </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase...	<SMILES> O=C(C=Cc1ccc(Cl)cc1)NC1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5 </SMILES>	{"source_smiles": "NC(CSCC(=O)NC1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5)C(=O)O", "properties": {"plogp": {"source": -21.6, "target": -19.01, "change": 2.59}, "qed": {"source": 0.34, "target": 0.54, "change": 0.2}, "drd2": {"source": 0.06, "target": 0.77, "change": 0.71}, "bbbp": {"source": 0.52, "target": 0.8, "chang...	drd2+plogp+qed	NC(CSCC(=O)NC1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5)C(=O)O	O=C(C=Cc1ccc(Cl)cc1)NC1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5	{ "plogp": { "source": -21.6, "target": -19.01, "change": 2.59 }, "qed": { "source": 0.34, "target": 0.54, "change": 0.2 }, "drd2": { "source": 0.06, "target": 0.77, "change": 0.71 }, "bbbp": { "source": 0.52, "target": 0.8, "change": 0.28 }, "mutagenici...	2	train	seen	O=C(C=Cc1ccc(Cl)cc1)NC1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5	drd2+plogp+qed
mumoinstruct:train:7a3da947c6085fd1	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> [NH3+]CC(O)CN1CCN(c2ccccc2F)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response should only...	<SMILES> OC(CN1CCN(c2ccccc2F)CC1)c1ccc(F)cc1 </SMILES>	{"source_smiles": "[NH3+]CC(O)CN1CCN(c2ccccc2F)CC1", "properties": {"plogp": {"source": -1.75, "target": 1.32, "change": 3.07}, "qed": {"source": 0.77, "target": 0.94, "change": 0.17}, "drd2": {"source": 0.0, "target": 0.47, "change": 0.47}, "bbbp": {"source": 0.63, "target": 0.96, "change": 0.33}, "mutagenicity": {"so...	drd2+plogp+qed	[NH3+]CC(O)CN1CCN(c2ccccc2F)CC1	OC(CN1CCN(c2ccccc2F)CC1)c1ccc(F)cc1	{ "plogp": { "source": -1.75, "target": 1.32, "change": 3.07 }, "qed": { "source": 0.77, "target": 0.94, "change": 0.17 }, "drd2": { "source": 0, "target": 0.47, "change": 0.47 }, "bbbp": { "source": 0.63, "target": 0.96, "change": 0.33 }, "mutagenicity"...	4	train	seen	OC(CN1CCN(c2ccccc2F)CC1)c1ccc(F)cc1	drd2+plogp+qed
mumoinstruct:train:f8229d9c0fd4352d	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=C1CN(CCCOc2ccc3c(=O)ccoc3c2)CC(=O)N1c1ccccc1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your respo...	<SMILES> O=c1ccoc2cc(OCCCN3CC=C(c4ccccc4)CC3)ccc12 </SMILES>	{"source_smiles": "O=C1CN(CCCOc2ccc3c(=O)ccoc3c2)CC(=O)N1c1ccccc1", "properties": {"plogp": {"source": 0.91, "target": 2.33, "change": 1.42}, "qed": {"source": 0.47, "target": 0.61, "change": 0.14}, "drd2": {"source": 0.05, "target": 0.97, "change": 0.92}, "bbbp": {"source": 0.96, "target": 0.96, "change": 0.0}, "mutag...	drd2+plogp+qed	O=C1CN(CCCOc2ccc3c(=O)ccoc3c2)CC(=O)N1c1ccccc1	O=c1ccoc2cc(OCCCN3CC=C(c4ccccc4)CC3)ccc12	{ "plogp": { "source": 0.91, "target": 2.33, "change": 1.42 }, "qed": { "source": 0.47, "target": 0.61, "change": 0.14 }, "drd2": { "source": 0.05, "target": 0.97, "change": 0.92 }, "bbbp": { "source": 0.96, "target": 0.96, "change": 0 }, "mutagenicity":...	4	train	seen	O=c1ccoc2cc(OCCCN3CC=C(c4ccccc4)CC3)ccc12	drd2+plogp+qed
mumoinstruct:train:31b134e311cd422f	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> NS(=O)(=O)c1ccc2c(C(=O)NCC(O)CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) a...	<SMILES> O=C(NCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2ccccc12 </SMILES>	{"source_smiles": "NS(=O)(=O)c1ccc2c(C(=O)NCC(O)CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1", "properties": {"plogp": {"source": -0.19, "target": 1.05, "change": 1.24}, "qed": {"source": 0.32, "target": 0.47, "change": 0.15}, "drd2": {"source": 0.39, "target": 0.8, "change": 0.41}, "bbbp": {"source": 0.26, "target": 0....	drd2+plogp+qed	NS(=O)(=O)c1ccc2c(C(=O)NCC(O)CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1	O=C(NCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2ccccc12	{ "plogp": { "source": -0.19, "target": 1.05, "change": 1.24 }, "qed": { "source": 0.32, "target": 0.47, "change": 0.15 }, "drd2": { "source": 0.39, "target": 0.8, "change": 0.41 }, "bbbp": { "source": 0.26, "target": 0.52, "change": 0.26 }, "mutagenicit...	4	train	seen	O=C(NCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2ccccc12	drd2+plogp+qed
mumoinstruct:train:fa21802e6e435587	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> COC(CC(=O)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)OC </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your re...	<SMILES> O=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccccc1 </SMILES>	{"source_smiles": "COC(CC(=O)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)OC", "properties": {"plogp": {"source": 0.24, "target": 1.64, "change": 1.4}, "qed": {"source": 0.58, "target": 0.75, "change": 0.17}, "drd2": {"source": 0.38, "target": 1.0, "change": 0.62}, "bbbp": {"source": 0.95, "target": 0.94, "change": -0.01}, "mu...	drd2+plogp+qed	COC(CC(=O)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)OC	O=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccccc1	{ "plogp": { "source": 0.24, "target": 1.64, "change": 1.4 }, "qed": { "source": 0.58, "target": 0.75, "change": 0.17 }, "drd2": { "source": 0.38, "target": 1, "change": 0.62 }, "bbbp": { "source": 0.95, "target": 0.94, "change": -0.01 }, "mutagenicity":...	4	train	seen	O=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccccc1	drd2+plogp+qed
mumoinstruct:train:3600609161b84fa5	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=C(CC1CC(O)CO1)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your...	<SMILES> O=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1CCC1 </SMILES>	{"source_smiles": "O=C(CC1CC(O)CO1)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1", "properties": {"plogp": {"source": -1.02, "target": 1.12, "change": 2.14}, "qed": {"source": 0.64, "target": 0.78, "change": 0.14}, "drd2": {"source": 0.28, "target": 0.66, "change": 0.38}, "bbbp": {"source": 0.76, "target": 0.95, "change": 0.19}...	drd2+plogp+qed	O=C(CC1CC(O)CO1)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1	O=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1CCC1	{ "plogp": { "source": -1.02, "target": 1.12, "change": 2.14 }, "qed": { "source": 0.64, "target": 0.78, "change": 0.14 }, "drd2": { "source": 0.28, "target": 0.66, "change": 0.38 }, "bbbp": { "source": 0.76, "target": 0.95, "change": 0.19 }, "mutagenici...	4	train	seen	O=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1CCC1	drd2+plogp+qed
mumoinstruct:train:d6e510831cf3b55c	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCN1CCN(c2ccccc2OC)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your ...	<SMILES> COc1cccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1 </SMILES>	{"source_smiles": "COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCN1CCN(c2ccccc2OC)CC1", "properties": {"plogp": {"source": 0.48, "target": 1.75, "change": 1.27}, "qed": {"source": 0.54, "target": 0.71, "change": 0.17}, "drd2": {"source": 0.16, "target": 0.68, "change": 0.52}, "bbbp": {"source": 0.8, "target": 0.96, "change": 0.16}, "...	drd2+plogp+qed	COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCN1CCN(c2ccccc2OC)CC1	COc1cccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1	{ "plogp": { "source": 0.48, "target": 1.75, "change": 1.27 }, "qed": { "source": 0.54, "target": 0.71, "change": 0.17 }, "drd2": { "source": 0.16, "target": 0.68, "change": 0.52 }, "bbbp": { "source": 0.8, "target": 0.96, "change": 0.16 }, "mutagenicity...	0	train	seen	COc1cccc(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1	drd2+plogp+qed
mumoinstruct:train:27e02387910f0606	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=C1C(N2CC2)=C(N2CC2)C(=O)c2c(OS(=O)(=O)c3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)cccc21 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penali...	<SMILES> O=C1C(N2CC2)=C(N2CC2)C(=O)c2c(OS(=O)(=O)c3ccc(Br)cc3)cccc21 </SMILES>	{"source_smiles": "O=C1C(N2CC2)=C(N2CC2)C(=O)c2c(OS(=O)(=O)c3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)cccc21", "properties": {"plogp": {"source": -0.32, "target": 0.7, "change": 1.02}, "qed": {"source": 0.24, "target": 0.49, "change": 0.25}, "drd2": {"source": 0.01, "target": 0.27, "change": 0.26}, "bbbp": {"source": 0.63, "...	drd2+plogp+qed	O=C1C(N2CC2)=C(N2CC2)C(=O)c2c(OS(=O)(=O)c3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)cccc21	O=C1C(N2CC2)=C(N2CC2)C(=O)c2c(OS(=O)(=O)c3ccc(Br)cc3)cccc21	{ "plogp": { "source": -0.32, "target": 0.7, "change": 1.02 }, "qed": { "source": 0.24, "target": 0.49, "change": 0.25 }, "drd2": { "source": 0.01, "target": 0.27, "change": 0.26 }, "bbbp": { "source": 0.63, "target": 0.66, "change": 0.03 }, "mutagenicit...	1	train	seen	O=C1C(N2CC2)=C(N2CC2)C(=O)c2c(OS(=O)(=O)c3ccc(Br)cc3)cccc21	drd2+plogp+qed
mumoinstruct:train:0ddcafcf74c67f89	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CC=C(C)CN1CC(NC(=O)c2cnc(O)cn2)CC1C(=O)NCC </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response ...	<SMILES> CC=C(C)CN1CC(NC(=O)c2ccc(F)c(F)c2)CC1C(=O)NCC </SMILES>	{"source_smiles": "CC=C(C)CN1CC(NC(=O)c2cnc(O)cn2)CC1C(=O)NCC", "properties": {"plogp": {"source": -2.12, "target": -0.25, "change": 1.87}, "qed": {"source": 0.65, "target": 0.76, "change": 0.11}, "drd2": {"source": 0.03, "target": 0.26, "change": 0.23}, "bbbp": {"source": 0.5, "target": 0.97, "change": 0.47}, "mutagen...	drd2+plogp+qed	CC=C(C)CN1CC(NC(=O)c2cnc(O)cn2)CC1C(=O)NCC	CC=C(C)CN1CC(NC(=O)c2ccc(F)c(F)c2)CC1C(=O)NCC	{ "plogp": { "source": -2.12, "target": -0.25, "change": 1.87 }, "qed": { "source": 0.65, "target": 0.76, "change": 0.11 }, "drd2": { "source": 0.03, "target": 0.26, "change": 0.23 }, "bbbp": { "source": 0.5, "target": 0.97, "change": 0.47 }, "mutagenici...	2	train	seen	CC=C(C)CN1CC(NC(=O)c2ccc(F)c(F)c2)CC1C(=O)NCC	drd2+plogp+qed
mumoinstruct:train:055093c1a07e346b	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> C[NH2+]Cc1c[nH]c2c(OC)cccc12 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response should only co...	<SMILES> COc1cccc2c(CCN(C)C)c[nH]c12 </SMILES>	{"source_smiles": "C[NH2+]Cc1c[nH]c2c(OC)cccc12", "properties": {"plogp": {"source": -1.17, "target": 1.17, "change": 2.34}, "qed": {"source": 0.74, "target": 0.85, "change": 0.11}, "drd2": {"source": 0.02, "target": 0.45, "change": 0.43}, "bbbp": {"source": 0.85, "target": 0.99, "change": 0.14}, "mutagenicity": {"sour...	drd2+plogp+qed	C[NH2+]Cc1c[nH]c2c(OC)cccc12	COc1cccc2c(CCN(C)C)c[nH]c12	{ "plogp": { "source": -1.17, "target": 1.17, "change": 2.34 }, "qed": { "source": 0.74, "target": 0.85, "change": 0.11 }, "drd2": { "source": 0.02, "target": 0.45, "change": 0.43 }, "bbbp": { "source": 0.85, "target": 0.99, "change": 0.14 }, "mutagenici...	0	train	seen	COc1cccc2c(CCN(C)C)c[nH]c12	drd2+plogp+qed
mumoinstruct:train:917ee276ec0e6bda	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CC12CCC3c4ccc(O)cc4CCC3C1C(O)C(O)C2O </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response should...	<SMILES> CNC1CCC2C3CCc4cc(O)ccc4C3CCC12C </SMILES>	{"source_smiles": "CC12CCC3c4ccc(O)cc4CCC3C1C(O)C(O)C2O", "properties": {"plogp": {"source": -1.76, "target": 0.26, "change": 2.02}, "qed": {"source": 0.59, "target": 0.82, "change": 0.23}, "drd2": {"source": 0.09, "target": 0.39, "change": 0.3}, "bbbp": {"source": 0.45, "target": 0.89, "change": 0.44}, "mutagenicity":...	drd2+plogp+qed	CC12CCC3c4ccc(O)cc4CCC3C1C(O)C(O)C2O	CNC1CCC2C3CCc4cc(O)ccc4C3CCC12C	{ "plogp": { "source": -1.76, "target": 0.26, "change": 2.02 }, "qed": { "source": 0.59, "target": 0.82, "change": 0.23 }, "drd2": { "source": 0.09, "target": 0.39, "change": 0.3 }, "bbbp": { "source": 0.45, "target": 0.89, "change": 0.44 }, "mutagenicit...	5	train	seen	CNC1CCC2C3CCc4cc(O)ccc4C3CCC12C	drd2+plogp+qed
mumoinstruct:train:aa17363e4d0c04fd	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=c1n(-c2ccccc2F)cnn1CCCN1CCN(CC(O)(Cn2cncn2)c2ccc(F)cc2F)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase...	<SMILES> OC(CN1CCN(CCCOc2ccccc2)CC1)(Cn1cncn1)c1ccc(F)cc1F </SMILES>	{"source_smiles": "O=c1n(-c2ccccc2F)cnn1CCCN1CCN(CC(O)(Cn2cncn2)c2ccc(F)cc2F)CC1", "properties": {"plogp": {"source": -0.87, "target": 0.31, "change": 1.18}, "qed": {"source": 0.33, "target": 0.47, "change": 0.14}, "drd2": {"source": 0.1, "target": 0.46, "change": 0.36}, "bbbp": {"source": 0.7, "target": 0.77, "change"...	drd2+plogp+qed	O=c1n(-c2ccccc2F)cnn1CCCN1CCN(CC(O)(Cn2cncn2)c2ccc(F)cc2F)CC1	OC(CN1CCN(CCCOc2ccccc2)CC1)(Cn1cncn1)c1ccc(F)cc1F	{ "plogp": { "source": -0.87, "target": 0.31, "change": 1.18 }, "qed": { "source": 0.33, "target": 0.47, "change": 0.14 }, "drd2": { "source": 0.1, "target": 0.46, "change": 0.36 }, "bbbp": { "source": 0.7, "target": 0.77, "change": 0.07 }, "mutagenicity...	1	train	seen	OC(CN1CCN(CCCOc2ccccc2)CC1)(Cn1cncn1)c1ccc(F)cc1F	drd2+plogp+qed
mumoinstruct:train:d5ab1ad0e29f379a	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CC1CCN(CCC(=O)NC2CC3CC(c4cccc(O)c4)(C2)C(C)CN3CCCc2ccccc2)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase...	<SMILES> CC1CN(CCCc2ccccc2)C2CC(N(C)C)CC1(c1cccc(O)c1)C2 </SMILES>	{"source_smiles": "CC1CCN(CCC(=O)NC2CC3CC(c4cccc(O)c4)(C2)C(C)CN3CCCc2ccccc2)CC1", "properties": {"plogp": {"source": -6.53, "target": 0.11, "change": 6.64}, "qed": {"source": 0.47, "target": 0.77, "change": 0.3}, "drd2": {"source": 0.11, "target": 0.74, "change": 0.63}, "bbbp": {"source": 0.94, "target": 0.99, "change...	drd2+plogp+qed	CC1CCN(CCC(=O)NC2CC3CC(c4cccc(O)c4)(C2)C(C)CN3CCCc2ccccc2)CC1	CC1CN(CCCc2ccccc2)C2CC(N(C)C)CC1(c1cccc(O)c1)C2	{ "plogp": { "source": -6.53, "target": 0.11, "change": 6.64 }, "qed": { "source": 0.47, "target": 0.77, "change": 0.3 }, "drd2": { "source": 0.11, "target": 0.74, "change": 0.63 }, "bbbp": { "source": 0.94, "target": 0.99, "change": 0.05 }, "mutagenicit...	0	train	seen	CC1CN(CCCc2ccccc2)C2CC(N(C)C)CC1(c1cccc(O)c1)C2	drd2+plogp+qed
mumoinstruct:train:98150c76bfa77ceb	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> C#Cc1ccc(C2CC3CCC(C2C(=O)OC)N3C)cc1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response should ...	<SMILES> COC(=O)C1C(c2ccc(-c3ccncc3)cc2)CC2CCC1N2C </SMILES>	{"source_smiles": "C#Cc1ccc(C2CC3CCC(C2C(=O)OC)N3C)cc1", "properties": {"plogp": {"source": -1.34, "target": -0.3, "change": 1.04}, "qed": {"source": 0.62, "target": 0.8, "change": 0.18}, "drd2": {"source": 0.17, "target": 0.48, "change": 0.31}, "bbbp": {"source": 0.95, "target": 0.97, "change": 0.02}, "mutagenicity": ...	drd2+plogp+qed	C#Cc1ccc(C2CC3CCC(C2C(=O)OC)N3C)cc1	COC(=O)C1C(c2ccc(-c3ccncc3)cc2)CC2CCC1N2C	{ "plogp": { "source": -1.34, "target": -0.3, "change": 1.04 }, "qed": { "source": 0.62, "target": 0.8, "change": 0.18 }, "drd2": { "source": 0.17, "target": 0.48, "change": 0.31 }, "bbbp": { "source": 0.95, "target": 0.97, "change": 0.02 }, "mutagenicit...	0	train	seen	COC(=O)C1C(c2ccc(-c3ccncc3)cc2)CC2CCC1N2C	drd2+plogp+qed
mumoinstruct:train:f09189c67bc808f6	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=C(NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1)C12CC3CC(CC(C3)C1)C2 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase...	<SMILES> O=C(NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1)C1CC1 </SMILES>	{"source_smiles": "O=C(NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1)C12CC3CC(CC(C3)C1)C2", "properties": {"plogp": {"source": -4.7, "target": 2.74, "change": 7.44}, "qed": {"source": 0.48, "target": 0.74, "change": 0.26}, "drd2": {"source": 0.04, "target": 0.8, "change": 0.76}, "bbbp": {"source": 0.94, "target": 0.98, "change"...	drd2+plogp+qed	O=C(NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1)C12CC3CC(CC(C3)C1)C2	O=C(NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1)C1CC1	{ "plogp": { "source": -4.7, "target": 2.74, "change": 7.44 }, "qed": { "source": 0.48, "target": 0.74, "change": 0.26 }, "drd2": { "source": 0.04, "target": 0.8, "change": 0.76 }, "bbbp": { "source": 0.94, "target": 0.98, "change": 0.04 }, "mutagenicity...	0	train	seen	O=C(NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1)C1CC1	drd2+plogp+qed
mumoinstruct:train:b99943288a944b16	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> COc1cccc2c1OCC(NC(=O)NCCC(N)=O)C2 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response should on...	<SMILES> COc1cccc2c1OCC(NC(=O)NC1CCN(C3CC3)CC1)C2 </SMILES>	{"source_smiles": "COc1cccc2c1OCC(NC(=O)NCCC(N)=O)C2", "properties": {"plogp": {"source": -1.08, "target": 0.01, "change": 1.09}, "qed": {"source": 0.72, "target": 0.88, "change": 0.16}, "drd2": {"source": 0.0, "target": 0.32, "change": 0.32}, "bbbp": {"source": 0.99, "target": 0.99, "change": 0.0}, "mutagenicity": {"s...	drd2+plogp+qed	COc1cccc2c1OCC(NC(=O)NCCC(N)=O)C2	COc1cccc2c1OCC(NC(=O)NC1CCN(C3CC3)CC1)C2	{ "plogp": { "source": -1.08, "target": 0.01, "change": 1.09 }, "qed": { "source": 0.72, "target": 0.88, "change": 0.16 }, "drd2": { "source": 0, "target": 0.32, "change": 0.32 }, "bbbp": { "source": 0.99, "target": 0.99, "change": 0 }, "mutagenicity": {...	0	train	seen	COc1cccc2c1OCC(NC(=O)NC1CCN(C3CC3)CC1)C2	drd2+plogp+qed
mumoinstruct:train:9e5451ab9074c9d2	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)n1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and inc...	<SMILES> Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1 </SMILES>	{"source_smiles": "Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)n1", "properties": {"plogp": {"source": 0.93, "target": 2.55, "change": 1.62}, "qed": {"source": 0.39, "target": 0.62, "change": 0.23}, "drd2": {"source": 0.01, "target": 0.22, "change": 0.21}, "bbbp": {"source": 0.64, "target": 0.91, "c...	drd2+plogp+qed	Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CCN(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)n1	Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1	{ "plogp": { "source": 0.93, "target": 2.55, "change": 1.62 }, "qed": { "source": 0.39, "target": 0.62, "change": 0.23 }, "drd2": { "source": 0.01, "target": 0.22, "change": 0.21 }, "bbbp": { "source": 0.64, "target": 0.91, "change": 0.27 }, "mutagenicit...	5	train	seen	Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1	drd2+plogp+qed
mumoinstruct:train:1b4547500729417a	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CNS(=O)(=O)c1ccc(OCCCN2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)cc1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Y...	<SMILES> Cn1c(N2CCN(CCCOc3ccc(Cl)cc3)CC2)cc(=O)n(C)c1=O </SMILES>	{"source_smiles": "CNS(=O)(=O)c1ccc(OCCCN2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)cc1", "properties": {"plogp": {"source": -1.11, "target": 0.34, "change": 1.45}, "qed": {"source": 0.54, "target": 0.69, "change": 0.15}, "drd2": {"source": 0.07, "target": 0.43, "change": 0.36}, "bbbp": {"source": 0.72, "target": 0.96, "change": 0....	drd2+plogp+qed	CNS(=O)(=O)c1ccc(OCCCN2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)cc1	Cn1c(N2CCN(CCCOc3ccc(Cl)cc3)CC2)cc(=O)n(C)c1=O	{ "plogp": { "source": -1.11, "target": 0.34, "change": 1.45 }, "qed": { "source": 0.54, "target": 0.69, "change": 0.15 }, "drd2": { "source": 0.07, "target": 0.43, "change": 0.36 }, "bbbp": { "source": 0.72, "target": 0.96, "change": 0.24 }, "mutagenici...	5	train	seen	Cn1c(N2CCN(CCCOc3ccc(Cl)cc3)CC2)cc(=O)n(C)c1=O	drd2+plogp+qed
mumoinstruct:train:2cfc0073b07ca805	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and incr...	<SMILES> CC(C)(C)c1ccc(S(=O)(=O)NCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)cc1 </SMILES>	{"source_smiles": "O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1", "properties": {"plogp": {"source": 1.59, "target": 2.6, "change": 1.01}, "qed": {"source": 0.2, "target": 0.32, "change": 0.12}, "drd2": {"source": 0.28, "target": 0.54, "change": 0.26}, "bbbp": {"source": 0.88, "target": 0.82, "chan...	drd2+plogp+qed	O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1	CC(C)(C)c1ccc(S(=O)(=O)NCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)cc1	{ "plogp": { "source": 1.59, "target": 2.6, "change": 1.01 }, "qed": { "source": 0.2, "target": 0.32, "change": 0.12 }, "drd2": { "source": 0.28, "target": 0.54, "change": 0.26 }, "bbbp": { "source": 0.88, "target": 0.82, "change": -0.06 }, "mutagenicity...	2	train	seen	CC(C)(C)c1ccc(S(=O)(=O)NCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)cc1	drd2+plogp+qed
mumoinstruct:train:948a307432e09cf6	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> COc1ccc2c3c1OC1c4[nH]c5c(c4CC4(O)C(C2)N(CC2CC2)CCC314)CC1(O)C2Cc3ccc(O)c4c3C1(CCN2C)C5O4 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (p...	<SMILES> CN1CCC23c4c5ccc(O)c4OC2c2[nH]c4ccccc4c2CC3(O)C1C5 </SMILES>	{"source_smiles": "COc1ccc2c3c1OC1c4[nH]c5c(c4CC4(O)C(C2)N(CC2CC2)CCC314)CC1(O)C2Cc3ccc(O)c4c3C1(CCN2C)C5O4", "properties": {"plogp": {"source": -28.22, "target": -26.45, "change": 1.77}, "qed": {"source": 0.35, "target": 0.57, "change": 0.22}, "drd2": {"source": 0.04, "target": 0.9, "change": 0.86}, "bbbp": {"source":...	drd2+plogp+qed	COc1ccc2c3c1OC1c4[nH]c5c(c4CC4(O)C(C2)N(CC2CC2)CCC314)CC1(O)C2Cc3ccc(O)c4c3C1(CCN2C)C5O4	CN1CCC23c4c5ccc(O)c4OC2c2[nH]c4ccccc4c2CC3(O)C1C5	{ "plogp": { "source": -28.22, "target": -26.45, "change": 1.77 }, "qed": { "source": 0.35, "target": 0.57, "change": 0.22 }, "drd2": { "source": 0.04, "target": 0.9, "change": 0.86 }, "bbbp": { "source": 0.7, "target": 0.96, "change": 0.26 }, "mutagenic...	5	train	seen	CN1CCC23c4c5ccc(O)c4OC2c2[nH]c4ccccc4c2CC3(O)C1C5	drd2+plogp+qed
mumoinstruct:train:aa8c68214e38531b	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> COC(=O)COc1cccc2c(CC(C)NCC(O)c3cccc(Cl)c3)c[nH]c12 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your r...	<SMILES> CC(Cc1c[nH]c2cc(Cl)ccc12)NCC(O)c1cccc(Cl)c1 </SMILES>	{"source_smiles": "COC(=O)COc1cccc2c(CC(C)NCC(O)c3cccc(Cl)c3)c[nH]c12", "properties": {"plogp": {"source": 0.89, "target": 1.92, "change": 1.03}, "qed": {"source": 0.46, "target": 0.59, "change": 0.13}, "drd2": {"source": 0.21, "target": 0.78, "change": 0.57}, "bbbp": {"source": 0.58, "target": 0.82, "change": 0.24}, "...	drd2+plogp+qed	COC(=O)COc1cccc2c(CC(C)NCC(O)c3cccc(Cl)c3)c[nH]c12	CC(Cc1c[nH]c2cc(Cl)ccc12)NCC(O)c1cccc(Cl)c1	{ "plogp": { "source": 0.89, "target": 1.92, "change": 1.03 }, "qed": { "source": 0.46, "target": 0.59, "change": 0.13 }, "drd2": { "source": 0.21, "target": 0.78, "change": 0.57 }, "bbbp": { "source": 0.58, "target": 0.82, "change": 0.24 }, "mutagenicit...	1	train	seen	CC(Cc1c[nH]c2cc(Cl)ccc12)NCC(O)c1cccc(Cl)c1	drd2+plogp+qed
mumoinstruct:train:3cb06368ce69d139	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=C(NCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(S(=O)(=O)NCCO)ccc12 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP...	<SMILES> O=C(NCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(F)ccc12 </SMILES>	{"source_smiles": "O=C(NCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(S(=O)(=O)NCCO)ccc12", "properties": {"plogp": {"source": -0.59, "target": 1.01, "change": 1.6}, "qed": {"source": 0.22, "target": 0.45, "change": 0.23}, "drd2": {"source": 0.27, "target": 0.91, "change": 0.64}, "bbbp": {"source": 0.19, "target":...	drd2+plogp+qed	O=C(NCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(S(=O)(=O)NCCO)ccc12	O=C(NCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(F)ccc12	{ "plogp": { "source": -0.59, "target": 1.01, "change": 1.6 }, "qed": { "source": 0.22, "target": 0.45, "change": 0.23 }, "drd2": { "source": 0.27, "target": 0.91, "change": 0.64 }, "bbbp": { "source": 0.19, "target": 0.6, "change": 0.41 }, "mutagenicity...	2	train	seen	O=C(NCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(F)ccc12	drd2+plogp+qed
mumoinstruct:train:3c4968b38d1c993f	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CCOc1cc(CN2CCC(Nc3nc4cc(NS(=O)(=O)c5cn(C)cn5)ccc4o3)CC2)ccc1OC </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increas...	<SMILES> CCOc1cc(CN2CCC(Nc3nc4cc(Cl)ccc4o3)CC2)ccc1OC </SMILES>	{"source_smiles": "CCOc1cc(CN2CCC(Nc3nc4cc(NS(=O)(=O)c5cn(C)cn5)ccc4o3)CC2)ccc1OC", "properties": {"plogp": {"source": 1.47, "target": 2.85, "change": 1.38}, "qed": {"source": 0.31, "target": 0.59, "change": 0.28}, "drd2": {"source": 0.03, "target": 0.67, "change": 0.64}, "bbbp": {"source": 0.74, "target": 0.98, "chang...	drd2+plogp+qed	CCOc1cc(CN2CCC(Nc3nc4cc(NS(=O)(=O)c5cn(C)cn5)ccc4o3)CC2)ccc1OC	CCOc1cc(CN2CCC(Nc3nc4cc(Cl)ccc4o3)CC2)ccc1OC	{ "plogp": { "source": 1.47, "target": 2.85, "change": 1.38 }, "qed": { "source": 0.31, "target": 0.59, "change": 0.28 }, "drd2": { "source": 0.03, "target": 0.67, "change": 0.64 }, "bbbp": { "source": 0.74, "target": 0.98, "change": 0.24 }, "mutagenicit...	0	train	seen	CCOc1cc(CN2CCC(Nc3nc4cc(Cl)ccc4o3)CC2)ccc1OC	drd2+plogp+qed
mumoinstruct:train:2973502d1d26ecdd	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> N#CC(Cc1ccc(N2CCC3C(=O)NCCC3C2)cc1F)NC(=O)C1NC2CCC1C2 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED You...	<SMILES> CC(C)(C)N1CCN(c2ccc(CC(C#N)NC(=O)C3NC4CCC3C4)c(F)c2)CC1 </SMILES>	{"source_smiles": "N#CC(Cc1ccc(N2CCC3C(=O)NCCC3C2)cc1F)NC(=O)C1NC2CCC1C2", "properties": {"plogp": {"source": -3.07, "target": -1.89, "change": 1.18}, "qed": {"source": 0.65, "target": 0.76, "change": 0.11}, "drd2": {"source": 0.01, "target": 0.31, "change": 0.3}, "bbbp": {"source": 0.89, "target": 0.95, "change": 0.06...	drd2+plogp+qed	N#CC(Cc1ccc(N2CCC3C(=O)NCCC3C2)cc1F)NC(=O)C1NC2CCC1C2	CC(C)(C)N1CCN(c2ccc(CC(C#N)NC(=O)C3NC4CCC3C4)c(F)c2)CC1	{ "plogp": { "source": -3.07, "target": -1.89, "change": 1.18 }, "qed": { "source": 0.65, "target": 0.76, "change": 0.11 }, "drd2": { "source": 0.01, "target": 0.31, "change": 0.3 }, "bbbp": { "source": 0.89, "target": 0.95, "change": 0.06 }, "mutagenici...	5	train	seen	CC(C)(C)N1CCN(c2ccc(CC(C#N)NC(=O)C3NC4CCC3C4)c(F)c2)CC1	drd2+plogp+qed
mumoinstruct:train:ecb27f5dd69a783d	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> COc1ccc(-c2nnn(C)n2)cc1CNC1CCCNC1c1ccccc1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response s...	<SMILES> COc1ccc(Br)cc1CNC1CCCNC1c1ccccc1 </SMILES>	{"source_smiles": "COc1ccc(-c2nnn(C)n2)cc1CNC1CCCNC1c1ccccc1", "properties": {"plogp": {"source": 0.01, "target": 1.53, "change": 1.52}, "qed": {"source": 0.69, "target": 0.83, "change": 0.14}, "drd2": {"source": 0.07, "target": 0.7, "change": 0.63}, "bbbp": {"source": 0.84, "target": 0.97, "change": 0.13}, "mutagenici...	drd2+plogp+qed	COc1ccc(-c2nnn(C)n2)cc1CNC1CCCNC1c1ccccc1	COc1ccc(Br)cc1CNC1CCCNC1c1ccccc1	{ "plogp": { "source": 0.01, "target": 1.53, "change": 1.52 }, "qed": { "source": 0.69, "target": 0.83, "change": 0.14 }, "drd2": { "source": 0.07, "target": 0.7, "change": 0.63 }, "bbbp": { "source": 0.84, "target": 0.97, "change": 0.13 }, "mutagenicity...	5	train	seen	COc1ccc(Br)cc1CNC1CCCNC1c1ccccc1	drd2+plogp+qed
mumoinstruct:train:50d2ede07cb517fa	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3N2CC2c2ccccc2)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED You...	<SMILES> CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccccc2)CC1 </SMILES>	{"source_smiles": "CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3N2CC2c2ccccc2)CC1", "properties": {"plogp": {"source": -0.4, "target": 1.2, "change": 1.6}, "qed": {"source": 0.65, "target": 0.76, "change": 0.11}, "drd2": {"source": 0.16, "target": 0.43, "change": 0.27}, "bbbp": {"source": 0.2, "target": 0.39, "change": 0.19}, "...	drd2+plogp+qed	CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3N2CC2c2ccccc2)CC1	CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccccc2)CC1	{ "plogp": { "source": -0.4, "target": 1.2, "change": 1.6 }, "qed": { "source": 0.65, "target": 0.76, "change": 0.11 }, "drd2": { "source": 0.16, "target": 0.43, "change": 0.27 }, "bbbp": { "source": 0.2, "target": 0.39, "change": 0.19 }, "mutagenicity":...	4	train	seen	CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccccc2)CC1	drd2+plogp+qed
mumoinstruct:train:f0f81e6509b33945	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CC(C)NC(=O)C(=O)NCC(c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED You...	<SMILES> CN1CCCc2cc(C(CNC(=O)c3ccc(Br)o3)N3CC[NH+](C)CC3)ccc21 </SMILES>	{"source_smiles": "CC(C)NC(=O)C(=O)NCC(c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1", "properties": {"plogp": {"source": -2.77, "target": -1.27, "change": 1.5}, "qed": {"source": 0.59, "target": 0.71, "change": 0.12}, "drd2": {"source": 0.01, "target": 0.36, "change": 0.35}, "bbbp": {"source": 0.42, "target": 0.86, "change": 0.44...	drd2+plogp+qed	CC(C)NC(=O)C(=O)NCC(c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1	CN1CCCc2cc(C(CNC(=O)c3ccc(Br)o3)N3CC[NH+](C)CC3)ccc21	{ "plogp": { "source": -2.77, "target": -1.27, "change": 1.5 }, "qed": { "source": 0.59, "target": 0.71, "change": 0.12 }, "drd2": { "source": 0.01, "target": 0.36, "change": 0.35 }, "bbbp": { "source": 0.42, "target": 0.86, "change": 0.44 }, "mutagenici...	1	train	seen	CN1CCCc2cc(C(CNC(=O)c3ccc(Br)o3)N3CC[NH+](C)CC3)ccc21	drd2+plogp+qed
mumoinstruct:train:517740589445cd6f	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1CNC(=O)NC12CC3CC(CC(C3)C1)C2 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and in...	<SMILES> Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1CN(C)C </SMILES>	{"source_smiles": "Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1CNC(=O)NC12CC3CC(CC(C3)C1)C2", "properties": {"plogp": {"source": -7.73, "target": -0.19, "change": 7.54}, "qed": {"source": 0.45, "target": 0.83, "change": 0.38}, "drd2": {"source": 0.02, "target": 0.36, "change": 0.34}, "bbbp": {"source": 0.68, "target": 0.8, ...	drd2+plogp+qed	Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1CNC(=O)NC12CC3CC(CC(C3)C1)C2	Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1CN(C)C	{ "plogp": { "source": -7.73, "target": -0.19, "change": 7.54 }, "qed": { "source": 0.45, "target": 0.83, "change": 0.38 }, "drd2": { "source": 0.02, "target": 0.36, "change": 0.34 }, "bbbp": { "source": 0.68, "target": 0.8, "change": 0.12 }, "mutagenici...	2	train	seen	Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2ccccc2CC1CN(C)C	drd2+plogp+qed
mumoinstruct:train:e5beea2d61da1d67	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CN1CCN(CCc2ccccc2)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response should only contain a...	<SMILES> Cc1ccc(N2CCN(CCc3ccccc3)CC2)cc1 </SMILES>	{"source_smiles": "CN1CCN(CCc2ccccc2)CC1", "properties": {"plogp": {"source": 1.34, "target": 2.61, "change": 1.27}, "qed": {"source": 0.74, "target": 0.85, "change": 0.11}, "drd2": {"source": 0.02, "target": 0.81, "change": 0.79}, "bbbp": {"source": 0.99, "target": 0.99, "change": 0.0}, "mutagenicity": {"source": 0.11...	drd2+plogp+qed	CN1CCN(CCc2ccccc2)CC1	Cc1ccc(N2CCN(CCc3ccccc3)CC2)cc1	{ "plogp": { "source": 1.34, "target": 2.61, "change": 1.27 }, "qed": { "source": 0.74, "target": 0.85, "change": 0.11 }, "drd2": { "source": 0.02, "target": 0.81, "change": 0.79 }, "bbbp": { "source": 0.99, "target": 0.99, "change": 0 }, "mutagenicity":...	0	train	seen	Cc1ccc(N2CCN(CCc3ccccc3)CC2)cc1	drd2+plogp+qed
mumoinstruct:train:147af6e7a346c96c	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> COC(=O)C=CC(=O)NC12CCC(=O)C3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase Q...	<SMILES> CCOC12CCC(=O)C3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5 </SMILES>	{"source_smiles": "COC(=O)C=CC(=O)NC12CCC(=O)C3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5", "properties": {"plogp": {"source": -20.88, "target": -19.84, "change": 1.04}, "qed": {"source": 0.51, "target": 0.88, "change": 0.37}, "drd2": {"source": 0.02, "target": 0.28, "change": 0.26}, "bbbp": {"source": 0.93, "target": 0.99, "chan...	drd2+plogp+qed	COC(=O)C=CC(=O)NC12CCC(=O)C3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5	CCOC12CCC(=O)C3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5	{ "plogp": { "source": -20.88, "target": -19.84, "change": 1.04 }, "qed": { "source": 0.51, "target": 0.88, "change": 0.37 }, "drd2": { "source": 0.02, "target": 0.28, "change": 0.26 }, "bbbp": { "source": 0.93, "target": 0.99, "change": 0.06 }, "mutagen...	2	train	seen	CCOC12CCC(=O)C3Oc4c(O)ccc5c4C31CCN(CC1CC1)C2C5	drd2+plogp+qed
mumoinstruct:train:976f7c748f139187	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> Cn1cc2c(n1)Nc1ccc(F)cc1N=C2N1CC[N+](C)([O-])CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your resp...	<SMILES> Cn1cc2c(n1)Nc1ccc(F)cc1N=C2N1CCN(Cc2ccccc2)CC1 </SMILES>	{"source_smiles": "Cn1cc2c(n1)Nc1ccc(F)cc1N=C2N1CC[N+](C)([O-])CC1", "properties": {"plogp": {"source": -4.19, "target": -2.12, "change": 2.07}, "qed": {"source": 0.59, "target": 0.73, "change": 0.14}, "drd2": {"source": 0.04, "target": 0.85, "change": 0.81}, "bbbp": {"source": 0.68, "target": 0.98, "change": 0.3}, "mu...	drd2+plogp+qed	Cn1cc2c(n1)Nc1ccc(F)cc1N=C2N1CC[N+](C)([O-])CC1	Cn1cc2c(n1)Nc1ccc(F)cc1N=C2N1CCN(Cc2ccccc2)CC1	{ "plogp": { "source": -4.19, "target": -2.12, "change": 2.07 }, "qed": { "source": 0.59, "target": 0.73, "change": 0.14 }, "drd2": { "source": 0.04, "target": 0.85, "change": 0.81 }, "bbbp": { "source": 0.68, "target": 0.98, "change": 0.3 }, "mutagenici...	4	train	seen	Cn1cc2c(n1)Nc1ccc(F)cc1N=C2N1CCN(Cc2ccccc2)CC1	drd2+plogp+qed
mumoinstruct:train:e589f9e839398bf2	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> Cc1cccc(C(=O)NCN2CCC(c3cccc[n+]3[O-])CC2)c1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response...	<SMILES> Cc1cccc(C(=O)NCN2CCC(c3ccccc3)CC2)c1 </SMILES>	{"source_smiles": "Cc1cccc(C(=O)NCN2CCC(c3cccc[n+]3[O-])CC2)c1", "properties": {"plogp": {"source": 0.55, "target": 2.29, "change": 1.74}, "qed": {"source": 0.69, "target": 0.94, "change": 0.25}, "drd2": {"source": 0.09, "target": 0.32, "change": 0.23}, "bbbp": {"source": 0.91, "target": 0.99, "change": 0.08}, "mutagen...	drd2+plogp+qed	Cc1cccc(C(=O)NCN2CCC(c3cccc[n+]3[O-])CC2)c1	Cc1cccc(C(=O)NCN2CCC(c3ccccc3)CC2)c1	{ "plogp": { "source": 0.55, "target": 2.29, "change": 1.74 }, "qed": { "source": 0.69, "target": 0.94, "change": 0.25 }, "drd2": { "source": 0.09, "target": 0.32, "change": 0.23 }, "bbbp": { "source": 0.91, "target": 0.99, "change": 0.08 }, "mutagenicit...	2	train	seen	Cc1cccc(C(=O)NCN2CCC(c3ccccc3)CC2)c1	drd2+plogp+qed
mumoinstruct:train:a7c8434e54a27f2f	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=C(O)COCC(=O)NC1CCN(Cc2ccccc2)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response should o...	<SMILES> O=C(Cc1cccs1)NC1CCN(Cc2ccccc2)CC1 </SMILES>	{"source_smiles": "O=C(O)COCC(=O)NC1CCN(Cc2ccccc2)CC1", "properties": {"plogp": {"source": 0.46, "target": 2.03, "change": 1.57}, "qed": {"source": 0.78, "target": 0.92, "change": 0.14}, "drd2": {"source": 0.01, "target": 0.52, "change": 0.51}, "bbbp": {"source": 0.83, "target": 0.99, "change": 0.16}, "mutagenicity": {...	drd2+plogp+qed	O=C(O)COCC(=O)NC1CCN(Cc2ccccc2)CC1	O=C(Cc1cccs1)NC1CCN(Cc2ccccc2)CC1	{ "plogp": { "source": 0.46, "target": 2.03, "change": 1.57 }, "qed": { "source": 0.78, "target": 0.92, "change": 0.14 }, "drd2": { "source": 0.01, "target": 0.52, "change": 0.51 }, "bbbp": { "source": 0.83, "target": 0.99, "change": 0.16 }, "mutagenicit...	0	train	seen	O=C(Cc1cccs1)NC1CCN(Cc2ccccc2)CC1	drd2+plogp+qed
mumoinstruct:train:47d916735e430cd3	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> NCCN1CC(Cc2cccc(N)n2)C(NCCCO)C1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response should only...	<SMILES> NCCN1CC(Cc2cccc(N)n2)C(NCCCc2ccccc2)C1 </SMILES>	{"source_smiles": "NCCN1CC(Cc2cccc(N)n2)C(NCCCO)C1", "properties": {"plogp": {"source": -2.53, "target": -0.62, "change": 1.91}, "qed": {"source": 0.48, "target": 0.6, "change": 0.12}, "drd2": {"source": 0.1, "target": 0.53, "change": 0.43}, "bbbp": {"source": 0.64, "target": 0.91, "change": 0.27}, "mutagenicity": {"so...	drd2+plogp+qed	NCCN1CC(Cc2cccc(N)n2)C(NCCCO)C1	NCCN1CC(Cc2cccc(N)n2)C(NCCCc2ccccc2)C1	{ "plogp": { "source": -2.53, "target": -0.62, "change": 1.91 }, "qed": { "source": 0.48, "target": 0.6, "change": 0.12 }, "drd2": { "source": 0.1, "target": 0.53, "change": 0.43 }, "bbbp": { "source": 0.64, "target": 0.91, "change": 0.27 }, "mutagenicit...	1	train	seen	NCCN1CC(Cc2cccc(N)n2)C(NCCCc2ccccc2)C1	drd2+plogp+qed
mumoinstruct:train:696f5de504ccffff	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> COCC1(NC(=O)C2CC3(O)C4Cc5ccc(O)c6c5C3(CCN4CC3CC3)C(O6)C2=O)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increas...	<SMILES> O=C1C(Cc2ccccc2)CC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5 </SMILES>	{"source_smiles": "COCC1(NC(=O)C2CC3(O)C4Cc5ccc(O)c6c5C3(CCN4CC3CC3)C(O6)C2=O)CC1", "properties": {"plogp": {"source": -21.5, "target": -19.57, "change": 1.93}, "qed": {"source": 0.54, "target": 0.78, "change": 0.24}, "drd2": {"source": 0.04, "target": 0.53, "change": 0.49}, "bbbp": {"source": 0.83, "target": 0.96, "ch...	drd2+plogp+qed	COCC1(NC(=O)C2CC3(O)C4Cc5ccc(O)c6c5C3(CCN4CC3CC3)C(O6)C2=O)CC1	O=C1C(Cc2ccccc2)CC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5	{ "plogp": { "source": -21.5, "target": -19.57, "change": 1.93 }, "qed": { "source": 0.54, "target": 0.78, "change": 0.24 }, "drd2": { "source": 0.04, "target": 0.53, "change": 0.49 }, "bbbp": { "source": 0.83, "target": 0.96, "change": 0.13 }, "mutageni...	0	train	seen	O=C1C(Cc2ccccc2)CC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5	drd2+plogp+qed
mumoinstruct:train:4bda7ff1d951d6c5	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> COc1ccc(C(=O)NCC2CCN(C(=N)N)CC2)cc1OCCc1ccc(Cl)cc1Cl </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your...	<SMILES> COc1ccc(C(=O)NCC2CCN(C(C)C)CC2)cc1OCCc1ccc(Cl)cc1Cl </SMILES>	{"source_smiles": "COc1ccc(C(=O)NCC2CCN(C(=N)N)CC2)cc1OCCc1ccc(Cl)cc1Cl", "properties": {"plogp": {"source": 2.04, "target": 3.25, "change": 1.21}, "qed": {"source": 0.39, "target": 0.52, "change": 0.13}, "drd2": {"source": 0.13, "target": 0.8, "change": 0.67}, "bbbp": {"source": 0.44, "target": 0.88, "change": 0.44}, ...	drd2+plogp+qed	COc1ccc(C(=O)NCC2CCN(C(=N)N)CC2)cc1OCCc1ccc(Cl)cc1Cl	COc1ccc(C(=O)NCC2CCN(C(C)C)CC2)cc1OCCc1ccc(Cl)cc1Cl	{ "plogp": { "source": 2.04, "target": 3.25, "change": 1.21 }, "qed": { "source": 0.39, "target": 0.52, "change": 0.13 }, "drd2": { "source": 0.13, "target": 0.8, "change": 0.67 }, "bbbp": { "source": 0.44, "target": 0.88, "change": 0.44 }, "mutagenicity...	4	train	seen	COc1ccc(C(=O)NCC2CCN(C(C)C)CC2)cc1OCCc1ccc(Cl)cc1Cl	drd2+plogp+qed
mumoinstruct:train:479e1940e7dde3b2	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> NC(=O)c1ccc(C(=O)NCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)cc1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED...	<SMILES> Clc1ccc2c(NCCCN3CCN(c4ccccc4)CC3)ccnc2c1 </SMILES>	{"source_smiles": "NC(=O)c1ccc(C(=O)NCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)cc1", "properties": {"plogp": {"source": 1.57, "target": 2.84, "change": 1.27}, "qed": {"source": 0.34, "target": 0.64, "change": 0.3}, "drd2": {"source": 0.25, "target": 0.99, "change": 0.74}, "bbbp": {"source": 0.8, "target": 0.99, "change": 0.1...	drd2+plogp+qed	NC(=O)c1ccc(C(=O)NCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)cc1	Clc1ccc2c(NCCCN3CCN(c4ccccc4)CC3)ccnc2c1	{ "plogp": { "source": 1.57, "target": 2.84, "change": 1.27 }, "qed": { "source": 0.34, "target": 0.64, "change": 0.3 }, "drd2": { "source": 0.25, "target": 0.99, "change": 0.74 }, "bbbp": { "source": 0.8, "target": 0.99, "change": 0.19 }, "mutagenicity"...	2	train	seen	Clc1ccc2c(NCCCN3CCN(c4ccccc4)CC3)ccnc2c1	drd2+plogp+qed
mumoinstruct:train:6b633e18e0f5cbbe	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CC(C)(C)CC1NC(C(=O)NCCC(O)CO)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and in...	<SMILES> CN1CCC(NC(=O)C2NC(CC(C)(C)C)C3(C(=O)Nc4cc(Cl)ccc43)C2c2cccc(Cl)c2F)CC1 </SMILES>	{"source_smiles": "CC(C)(C)CC1NC(C(=O)NCCC(O)CO)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12", "properties": {"plogp": {"source": -0.87, "target": 0.29, "change": 1.16}, "qed": {"source": 0.36, "target": 0.49, "change": 0.13}, "drd2": {"source": 0.04, "target": 0.29, "change": 0.25}, "bbbp": {"source": 0.55, "target": 0.91, ...	drd2+plogp+qed	CC(C)(C)CC1NC(C(=O)NCCC(O)CO)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12	CN1CCC(NC(=O)C2NC(CC(C)(C)C)C3(C(=O)Nc4cc(Cl)ccc43)C2c2cccc(Cl)c2F)CC1	{ "plogp": { "source": -0.87, "target": 0.29, "change": 1.16 }, "qed": { "source": 0.36, "target": 0.49, "change": 0.13 }, "drd2": { "source": 0.04, "target": 0.29, "change": 0.25 }, "bbbp": { "source": 0.55, "target": 0.91, "change": 0.36 }, "mutagenici...	4	train	seen	CN1CCC(NC(=O)C2NC(CC(C)(C)C)C3(C(=O)Nc4cc(Cl)ccc43)C2c2cccc(Cl)c2F)CC1	drd2+plogp+qed
mumoinstruct:train:73cbb6d520435242	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CCc1nnnn1-c1ccc(OC)c(CNC2CCCNC2c2ccccc2)c1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response ...	<SMILES> COc1ccc(Cl)cc1CNC1CCCNC1c1ccccc1 </SMILES>	{"source_smiles": "CCc1nnnn1-c1ccc(OC)c(CNC2CCCNC2c2ccccc2)c1", "properties": {"plogp": {"source": 0.24, "target": 1.51, "change": 1.27}, "qed": {"source": 0.64, "target": 0.87, "change": 0.23}, "drd2": {"source": 0.03, "target": 0.7, "change": 0.67}, "bbbp": {"source": 0.85, "target": 0.96, "change": 0.11}, "mutagenic...	drd2+plogp+qed	CCc1nnnn1-c1ccc(OC)c(CNC2CCCNC2c2ccccc2)c1	COc1ccc(Cl)cc1CNC1CCCNC1c1ccccc1	{ "plogp": { "source": 0.24, "target": 1.51, "change": 1.27 }, "qed": { "source": 0.64, "target": 0.87, "change": 0.23 }, "drd2": { "source": 0.03, "target": 0.7, "change": 0.67 }, "bbbp": { "source": 0.85, "target": 0.96, "change": 0.11 }, "mutagenicity...	0	train	seen	COc1ccc(Cl)cc1CNC1CCCNC1c1ccccc1	drd2+plogp+qed
mumoinstruct:train:50b5441eb97d4ae3	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> COc1cc(OCC2CNCCC2c2ccc(F)cc2)ccc1OC1OC(C(=O)O)C(O)C(O)C1O </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED...	<SMILES> COc1cc(OCC2CNCCC2c2ccc(F)cc2)ccc1O </SMILES>	{"source_smiles": "COc1cc(OCC2CNCCC2c2ccc(F)cc2)ccc1OC1OC(C(=O)O)C(O)C(O)C1O", "properties": {"plogp": {"source": -2.14, "target": 0.92, "change": 3.06}, "qed": {"source": 0.35, "target": 0.88, "change": 0.53}, "drd2": {"source": 0.04, "target": 0.67, "change": 0.63}, "bbbp": {"source": 0.37, "target": 0.93, "change": ...	drd2+plogp+qed	COc1cc(OCC2CNCCC2c2ccc(F)cc2)ccc1OC1OC(C(=O)O)C(O)C(O)C1O	COc1cc(OCC2CNCCC2c2ccc(F)cc2)ccc1O	{ "plogp": { "source": -2.14, "target": 0.92, "change": 3.06 }, "qed": { "source": 0.35, "target": 0.88, "change": 0.53 }, "drd2": { "source": 0.04, "target": 0.67, "change": 0.63 }, "bbbp": { "source": 0.37, "target": 0.93, "change": 0.56 }, "mutagenici...	0	train	seen	COc1cc(OCC2CNCCC2c2ccc(F)cc2)ccc1O	drd2+plogp+qed
mumoinstruct:train:bf99c7572d03ec0b	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CCNS(C)(=O)=O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) an...	<SMILES> CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C4CCC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 </SMILES>	{"source_smiles": "CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CCNS(C)(=O)=O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1", "properties": {"plogp": {"source": -0.44, "target": 1.07, "change": 1.51}, "qed": {"source": 0.41, "target": 0.55, "change": 0.14}, "drd2": {"source": 0.13, "target": 0.36, "change": 0.23}, "bbbp": {"source": 0.53, "target": 0....	drd2+plogp+qed	CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CCNS(C)(=O)=O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1	CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C4CCC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1	{ "plogp": { "source": -0.44, "target": 1.07, "change": 1.51 }, "qed": { "source": 0.41, "target": 0.55, "change": 0.14 }, "drd2": { "source": 0.13, "target": 0.36, "change": 0.23 }, "bbbp": { "source": 0.53, "target": 0.84, "change": 0.31 }, "mutagenici...	1	train	seen	CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C4CCC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1	drd2+plogp+qed
mumoinstruct:train:8ea21a3863dc5ae4	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CS(=O)(=O)N1CCN(c2ccc(CC(C#N)NC(=O)C3NC4CCC3C4)c(F)c2)CC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED...	<SMILES> CCN1CC=C(c2ccc(CC(C#N)NC(=O)C3NC4CCC3C4)c(F)c2)CC1 </SMILES>	{"source_smiles": "CS(=O)(=O)N1CCN(c2ccc(CC(C#N)NC(=O)C3NC4CCC3C4)c(F)c2)CC1", "properties": {"plogp": {"source": -3.09, "target": -1.86, "change": 1.23}, "qed": {"source": 0.66, "target": 0.78, "change": 0.12}, "drd2": {"source": 0.01, "target": 0.57, "change": 0.56}, "bbbp": {"source": 0.91, "target": 0.98, "change":...	drd2+plogp+qed	CS(=O)(=O)N1CCN(c2ccc(CC(C#N)NC(=O)C3NC4CCC3C4)c(F)c2)CC1	CCN1CC=C(c2ccc(CC(C#N)NC(=O)C3NC4CCC3C4)c(F)c2)CC1	{ "plogp": { "source": -3.09, "target": -1.86, "change": 1.23 }, "qed": { "source": 0.66, "target": 0.78, "change": 0.12 }, "drd2": { "source": 0.01, "target": 0.57, "change": 0.56 }, "bbbp": { "source": 0.91, "target": 0.98, "change": 0.07 }, "mutagenic...	0	train	seen	CCN1CC=C(c2ccc(CC(C#N)NC(=O)C3NC4CCC3C4)c(F)c2)CC1	drd2+plogp+qed
mumoinstruct:train:fc52d7c16f55f6bd	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CC(CCCNC(=O)CO)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED You...	<SMILES> CC(CCCN(C)C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 </SMILES>	{"source_smiles": "CC(CCCNC(=O)CO)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1", "properties": {"plogp": {"source": 0.62, "target": 1.73, "change": 1.11}, "qed": {"source": 0.46, "target": 0.62, "change": 0.16}, "drd2": {"source": 0.0, "target": 0.25, "change": 0.25}, "bbbp": {"source": 0.39, "target": 0.81, "change": 0.42},...	drd2+plogp+qed	CC(CCCNC(=O)CO)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1	CC(CCCN(C)C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1	{ "plogp": { "source": 0.62, "target": 1.73, "change": 1.11 }, "qed": { "source": 0.46, "target": 0.62, "change": 0.16 }, "drd2": { "source": 0, "target": 0.25, "change": 0.25 }, "bbbp": { "source": 0.39, "target": 0.81, "change": 0.42 }, "mutagenicity":...	2	train	seen	CC(CCCN(C)C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1	drd2+plogp+qed
mumoinstruct:train:d53452036363056a	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCc1ccc(OS(C)(=O)=O)cc1)CC2 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED...	<SMILES> COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCc1ccc(Cl)c(Cl)c1)CC2 </SMILES>	{"source_smiles": "COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCc1ccc(OS(C)(=O)=O)cc1)CC2", "properties": {"plogp": {"source": -2.7, "target": -1.17, "change": 1.53}, "qed": {"source": 0.45, "target": 0.55, "change": 0.1}, "drd2": {"source": 0.01, "target": 0.77, "change": 0.76}, "bbbp": {"source": 0.68, "target": 0.9, "change": 0....	drd2+plogp+qed	COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCc1ccc(OS(C)(=O)=O)cc1)CC2	COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCc1ccc(Cl)c(Cl)c1)CC2	{ "plogp": { "source": -2.7, "target": -1.17, "change": 1.53 }, "qed": { "source": 0.45, "target": 0.55, "change": 0.1 }, "drd2": { "source": 0.01, "target": 0.77, "change": 0.76 }, "bbbp": { "source": 0.68, "target": 0.9, "change": 0.22 }, "mutagenicity...	1	train	seen	COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCc1ccc(Cl)c(Cl)c1)CC2	drd2+plogp+qed
mumoinstruct:train:59d91a2f8a5d8a9a	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CCc1ncnc(N2CC[S+]([O-])CC2)c1C#Cc1ccc(N)nc1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response...	<SMILES> CCc1ncnc(N2CCC3(CCN(C)CC3)CC2)c1C#Cc1ccc(N)nc1 </SMILES>	{"source_smiles": "CCc1ncnc(N2CC[S+]([O-])CC2)c1C#Cc1ccc(N)nc1", "properties": {"plogp": {"source": -1.59, "target": -0.09, "change": 1.5}, "qed": {"source": 0.65, "target": 0.8, "change": 0.15}, "drd2": {"source": 0.02, "target": 0.25, "change": 0.23}, "bbbp": {"source": 0.62, "target": 0.8, "change": 0.18}, "mutageni...	drd2+plogp+qed	CCc1ncnc(N2CC[S+]([O-])CC2)c1C#Cc1ccc(N)nc1	CCc1ncnc(N2CCC3(CCN(C)CC3)CC2)c1C#Cc1ccc(N)nc1	{ "plogp": { "source": -1.59, "target": -0.09, "change": 1.5 }, "qed": { "source": 0.65, "target": 0.8, "change": 0.15 }, "drd2": { "source": 0.02, "target": 0.25, "change": 0.23 }, "bbbp": { "source": 0.62, "target": 0.8, "change": 0.18 }, "mutagenicity...	2	train	seen	CCc1ncnc(N2CCC3(CCN(C)CC3)CC2)c1C#Cc1ccc(N)nc1	drd2+plogp+qed
mumoinstruct:train:9e26e87543cfc53b	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> OCC(O)CN1CCc2c(cc(O)c(O)c2Cl)C(c2ccc(O)cc2)C1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your respon...	<SMILES> CN1CCc2c(cc(O)c(O)c2Cl)C(c2ccc(O)cc2)C1 </SMILES>	{"source_smiles": "OCC(O)CN1CCc2c(cc(O)c(O)c2Cl)C(c2ccc(O)cc2)C1", "properties": {"plogp": {"source": -4.19, "target": -2.79, "change": 1.4}, "qed": {"source": 0.52, "target": 0.71, "change": 0.19}, "drd2": {"source": 0.46, "target": 0.96, "change": 0.5}, "bbbp": {"source": 0.12, "target": 0.53, "change": 0.41}, "mutag...	drd2+plogp+qed	OCC(O)CN1CCc2c(cc(O)c(O)c2Cl)C(c2ccc(O)cc2)C1	CN1CCc2c(cc(O)c(O)c2Cl)C(c2ccc(O)cc2)C1	{ "plogp": { "source": -4.19, "target": -2.79, "change": 1.4 }, "qed": { "source": 0.52, "target": 0.71, "change": 0.19 }, "drd2": { "source": 0.46, "target": 0.96, "change": 0.5 }, "bbbp": { "source": 0.12, "target": 0.53, "change": 0.41 }, "mutagenicit...	5	train	seen	CN1CCc2c(cc(O)c(O)c2Cl)C(c2ccc(O)cc2)C1	drd2+plogp+qed
mumoinstruct:train:f34aca1ae29b05a5	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> COc1ccc2[nH]cc(CCN=C(N)N)c2c1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your response should only c...	<SMILES> COc1ccc2[nH]cc(CCN(C)C)c2c1 </SMILES>	{"source_smiles": "COc1ccc2[nH]cc(CCN=C(N)N)c2c1", "properties": {"plogp": {"source": 0.17, "target": 1.37, "change": 1.2}, "qed": {"source": 0.54, "target": 0.85, "change": 0.31}, "drd2": {"source": 0.0, "target": 0.67, "change": 0.67}, "bbbp": {"source": 0.65, "target": 0.98, "change": 0.33}, "mutagenicity": {"source...	drd2+plogp+qed	COc1ccc2[nH]cc(CCN=C(N)N)c2c1	COc1ccc2[nH]cc(CCN(C)C)c2c1	{ "plogp": { "source": 0.17, "target": 1.37, "change": 1.2 }, "qed": { "source": 0.54, "target": 0.85, "change": 0.31 }, "drd2": { "source": 0, "target": 0.67, "change": 0.67 }, "bbbp": { "source": 0.65, "target": 0.98, "change": 0.33 }, "mutagenicity": ...	2	train	seen	COc1ccc2[nH]cc(CCN(C)C)c2c1	drd2+plogp+qed
mumoinstruct:train:340a2ec9c1d2a7b3	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> Cc1cn(C2CC([N+](=O)[O-])C(CO)O2)c(=O)[nH]c1=O </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED Your respon...	<SMILES> CCCN(CCC)C1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO </SMILES>	{"source_smiles": "Cc1cn(C2CC([N+](=O)[O-])C(CO)O2)c(=O)[nH]c1=O", "properties": {"plogp": {"source": -3.31, "target": -1.88, "change": 1.43}, "qed": {"source": 0.52, "target": 0.77, "change": 0.25}, "drd2": {"source": 0.0, "target": 0.24, "change": 0.24}, "bbbp": {"source": 0.51, "target": 0.51, "change": 0.0}, "mutag...	drd2+plogp+qed	Cc1cn(C2CC([N+](=O)[O-])C(CO)O2)c(=O)[nH]c1=O	CCCN(CCC)C1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO	{ "plogp": { "source": -3.31, "target": -1.88, "change": 1.43 }, "qed": { "source": 0.52, "target": 0.77, "change": 0.25 }, "drd2": { "source": 0, "target": 0.24, "change": 0.24 }, "bbbp": { "source": 0.51, "target": 0.51, "change": 0 }, "mutagenicity": ...	2	train	seen	CCCN(CCC)C1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO	drd2+plogp+qed
mumoinstruct:train:297fc425cd385e12	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=C(NCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(S(=O)(=O)N3CCC3)ccc12 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized lo...	<SMILES> O=C(NCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c2ccccc12 </SMILES>	{"source_smiles": "O=C(NCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(S(=O)(=O)N3CCC3)ccc12", "properties": {"plogp": {"source": 0.28, "target": 1.62, "change": 1.34}, "qed": {"source": 0.34, "target": 0.49, "change": 0.15}, "drd2": {"source": 0.27, "target": 0.92, "change": 0.65}, "bbbp": {"source": 0.23, "target...	drd2+plogp+qed	O=C(NCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(S(=O)(=O)N3CCC3)ccc12	O=C(NCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c2ccccc12	{ "plogp": { "source": 0.28, "target": 1.62, "change": 1.34 }, "qed": { "source": 0.34, "target": 0.49, "change": 0.15 }, "drd2": { "source": 0.27, "target": 0.92, "change": 0.65 }, "bbbp": { "source": 0.23, "target": 0.74, "change": 0.51 }, "mutagenicit...	4	train	seen	O=C(NCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c2ccccc12	drd2+plogp+qed
mumoinstruct:train:9314c45512948b64	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> c1cc(CNCCCN2CCOCC2)cc(-c2cc(NCCN3CCOCC3)c3ccccc3n2)c1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED You...	<SMILES> Clc1cc(-c2ccc(CNCCCN3CCOCC3)cc2)nc2ccccc12 </SMILES>	{"source_smiles": "c1cc(CNCCCN2CCOCC2)cc(-c2cc(NCCN3CCOCC3)c3ccccc3n2)c1", "properties": {"plogp": {"source": 1.59, "target": 2.63, "change": 1.04}, "qed": {"source": 0.4, "target": 0.6, "change": 0.2}, "drd2": {"source": 0.16, "target": 0.7, "change": 0.54}, "bbbp": {"source": 0.91, "target": 0.95, "change": 0.04}, "m...	drd2+plogp+qed	c1cc(CNCCCN2CCOCC2)cc(-c2cc(NCCN3CCOCC3)c3ccccc3n2)c1	Clc1cc(-c2ccc(CNCCCN3CCOCC3)cc2)nc2ccccc12	{ "plogp": { "source": 1.59, "target": 2.63, "change": 1.04 }, "qed": { "source": 0.4, "target": 0.6, "change": 0.2 }, "drd2": { "source": 0.16, "target": 0.7, "change": 0.54 }, "bbbp": { "source": 0.91, "target": 0.95, "change": 0.04 }, "mutagenicity": ...	0	train	seen	Clc1cc(-c2ccc(CNCCCN3CCOCC3)cc2)nc2ccccc12	drd2+plogp+qed
mumoinstruct:train:e620e1975dab3c01	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> Oc1ccc2c3c1OC1c4[nH]c5c(c4CC4(O)C(C2)NCCC314)CC1(O)C2Cc3ccc(O)c4c3C1(CCN2CC1CC1)C5O4 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penal...	<SMILES> CC(C)Cc1[nH]c2c(c1-c1ccccc1)CC1(O)C3Cc4ccc(O)c5c4C1(CCN3CC1CC1)C2O5 </SMILES>	{"source_smiles": "Oc1ccc2c3c1OC1c4[nH]c5c(c4CC4(O)C(C2)NCCC314)CC1(O)C2Cc3ccc(O)c4c3C1(CCN2CC1CC1)C5O4", "properties": {"plogp": {"source": -28.81, "target": -18.13, "change": 10.68}, "qed": {"source": 0.26, "target": 0.45, "change": 0.19}, "drd2": {"source": 0.04, "target": 0.62, "change": 0.58}, "bbbp": {"source": 0...	drd2+plogp+qed	Oc1ccc2c3c1OC1c4[nH]c5c(c4CC4(O)C(C2)NCCC314)CC1(O)C2Cc3ccc(O)c4c3C1(CCN2CC1CC1)C5O4	CC(C)Cc1[nH]c2c(c1-c1ccccc1)CC1(O)C3Cc4ccc(O)c5c4C1(CCN3CC1CC1)C2O5	{ "plogp": { "source": -28.81, "target": -18.13, "change": 10.68 }, "qed": { "source": 0.26, "target": 0.45, "change": 0.19 }, "drd2": { "source": 0.04, "target": 0.62, "change": 0.58 }, "bbbp": { "source": 0.57, "target": 0.94, "change": 0.37 }, "mutage...	2	train	seen	CC(C)Cc1[nH]c2c(c1-c1ccccc1)CC1(O)C3Cc4ccc(O)c5c4C1(CCN3CC1CC1)C2O5	drd2+plogp+qed
mumoinstruct:train:c498a5572fd6f223	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> CCc1nccc(-c2ccc(C(=O)N3CC4CC3CN4c3ccc(F)cc3)c(F)c2)c1C#Cc1ccc(N)nc1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and in...	<SMILES> CCc1nccc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 </SMILES>	{"source_smiles": "CCc1nccc(-c2ccc(C(=O)N3CC4CC3CN4c3ccc(F)cc3)c(F)c2)c1C#Cc1ccc(N)nc1", "properties": {"plogp": {"source": 0.4, "target": 1.56, "change": 1.16}, "qed": {"source": 0.37, "target": 0.58, "change": 0.21}, "drd2": {"source": 0.04, "target": 0.34, "change": 0.3}, "bbbp": {"source": 0.62, "target": 0.74, "ch...	drd2+plogp+qed	CCc1nccc(-c2ccc(C(=O)N3CC4CC3CN4c3ccc(F)cc3)c(F)c2)c1C#Cc1ccc(N)nc1	CCc1nccc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1	{ "plogp": { "source": 0.4, "target": 1.56, "change": 1.16 }, "qed": { "source": 0.37, "target": 0.58, "change": 0.21 }, "drd2": { "source": 0.04, "target": 0.34, "change": 0.3 }, "bbbp": { "source": 0.62, "target": 0.74, "change": 0.12 }, "mutagenicity"...	1	train	seen	CCc1nccc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1	drd2+plogp+qed
mumoinstruct:train:b89152737e1787fa	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=S(=O)(NC1CCC(CCN2CCC(c3cccc4c3OCO4)CC2)CC1)N1CCOCC1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED You...	<SMILES> CC(C)C(=O)NC1CCC(CCN2CCC(c3cccc4c3OCO4)CC2)CC1 </SMILES>	{"source_smiles": "O=S(=O)(NC1CCC(CCN2CCC(c3cccc4c3OCO4)CC2)CC1)N1CCOCC1", "properties": {"plogp": {"source": 0.71, "target": 2.12, "change": 1.41}, "qed": {"source": 0.65, "target": 0.77, "change": 0.12}, "drd2": {"source": 0.09, "target": 0.58, "change": 0.49}, "bbbp": {"source": 0.98, "target": 0.99, "change": 0.01}...	drd2+plogp+qed	O=S(=O)(NC1CCC(CCN2CCC(c3cccc4c3OCO4)CC2)CC1)N1CCOCC1	CC(C)C(=O)NC1CCC(CCN2CCC(c3cccc4c3OCO4)CC2)CC1	{ "plogp": { "source": 0.71, "target": 2.12, "change": 1.41 }, "qed": { "source": 0.65, "target": 0.77, "change": 0.12 }, "drd2": { "source": 0.09, "target": 0.58, "change": 0.49 }, "bbbp": { "source": 0.98, "target": 0.99, "change": 0.01 }, "mutagenicit...	5	train	seen	CC(C)C(=O)NC1CCC(CCN2CCC(c3cccc4c3OCO4)CC2)CC1	drd2+plogp+qed
mumoinstruct:train:392e8a779bfccf1e	Modify the given molecule with minimal structural changes to achieve the requested property adjustments. %%% Input : <SMILES> O=C1OC(Cn2ccnn2)CN1c1ccc(N2CCn3c(=O)c4cccnc4n3CC2)c(F)c1 </SMILES> %%% Adjust: increase DRD2 inhibition, increase Penalized octanol-water partition coefficient (penalized logP) and increase QED ...	<SMILES> O=C1OC(Cn2ccnn2)CN1c1ccc(N2CCN(Cc3ccncc3)CC2)c(F)c1 </SMILES>	{"source_smiles": "O=C1OC(Cn2ccnn2)CN1c1ccc(N2CCn3c(=O)c4cccnc4n3CC2)c(F)c1", "properties": {"plogp": {"source": -4.65, "target": -0.08, "change": 4.57}, "qed": {"source": 0.45, "target": 0.58, "change": 0.13}, "drd2": {"source": 0.01, "target": 0.23, "change": 0.22}, "bbbp": {"source": 0.59, "target": 0.62, "change": ...	drd2+plogp+qed	O=C1OC(Cn2ccnn2)CN1c1ccc(N2CCn3c(=O)c4cccnc4n3CC2)c(F)c1	O=C1OC(Cn2ccnn2)CN1c1ccc(N2CCN(Cc3ccncc3)CC2)c(F)c1	{ "plogp": { "source": -4.65, "target": -0.08, "change": 4.57 }, "qed": { "source": 0.45, "target": 0.58, "change": 0.13 }, "drd2": { "source": 0.01, "target": 0.23, "change": 0.22 }, "bbbp": { "source": 0.59, "target": 0.62, "change": 0.03 }, "mutagenic...	5	train	seen	O=C1OC(Cn2ccnn2)CN1c1ccc(N2CCN(Cc3ccncc3)CC2)c(F)c1	drd2+plogp+qed

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MuMOInstruct, hub-native

NingLab/MuMOInstruct (f3ca492caaca6ecb33b1fcff65d882f10acc3297), restricted to the paper's own IND/OOD evaluation split (the ten declared property combinations) and restructured into ind/ood subsets, with the unified columns id, query, ground_truth, response, subtask and scoring_context added beside every original one. ground_truth is the train split's own target_smiles and response its tagged form; both are blank for every test row, which upstream carries no target for -- the oracle scores the one candidate's property change against the source molecule, not a stored answer. See scripts/datasets/README.md in the AutoDataSci repository for what those columns mean.

Row counts: {"train": 19841, "test": 7810}.

{
  "ind": {
    "train": 14804,
    "test": 5000
  },
  "ood": {
    "train": 5037,
    "test": 2810
  }
}

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