smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cc(N)ccc1/N=N/c1ccc(S(=O)(=O)N(C)C)cc1	111900267	SMSKXAUMUGPIAO-ISLYRVAYSA-N	318.402	3.243	10	30	DGCC	
COc1ccc2c(c1)[n+]1c(n2C)-c2cccc3cccc(c23)C1=O	38611990	LXEMJLWEBHRMCM-UHFFFAOYSA-N	315.352	3.297	10	30	DGCC	
Cc1ccc([C@H]2CNCCc3c2cc(O)c(O)c3Cl)cc1	27187253	HUYKVHJHQMMMOY-CQSZACIVSA-N	303.789	3.337	10	30	DGCC	
CC(C)(C)C(=O)OCc1nc(-c2ccc(O)c(O)c2)cs1	157183	CQLXFKNQNACMBP-UHFFFAOYSA-N	307.371	3.311	10	30	DGCC	
CN1N=C(C(F)(F)F)C(=CNc2ccc(Cl)cc2)C1=O	2265276457	APFZBXFGUIOMER-UHFFFAOYSA-N	303.671	3.026	10	30	DGCC	
O=S(=O)(CCO)Cc1ccc(/N=N/c2ccccc2)cc1	111896371	SPHUPSSBTALAES-WUKNDPDISA-N	304.371	3.009	10	30	DGCC	
CC(C)(C)OC(=O)NCc1cc(Br)ccc1O	796190822	KZAOAUXJWOYGHP-UHFFFAOYSA-N	302.168	3.179	10	30	DGCC	
COC(=O)c1cnc(Oc2ccc(N)cc2)cc1C(F)(F)F	77876	GCVISGZLSDKCPZ-UHFFFAOYSA-N	312.247	3.262	10	30	DGCC	
Nc1ccc(Cc2nc3cc(Br)ccc3[nH]2)cc1	6813558	IJVKUSXSGIWMMK-UHFFFAOYSA-N	302.175	3.498	10	30	DGCC	
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1	2265269966	GJKUANGADYXLQC-UHFFFAOYSA-N	322.324	3.313	10	30	DGCC	
Oc1cc2c(cc1O)[C@H](COc1ccc(Cl)cc1)NCC2	31541355	GVALVWDQPXGPCE-AWEZNQCLSA-N	305.761	3.017	10	30	DGCC	in-man
CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1	2265279772	PPHQWNUDYSYGAC-UHFFFAOYSA-N	307.309	3.401	10	30	DGCC	
CCN1CCS/C1=C/c1sc2cc([N+](=O)[O-])ccc2[n+]1C	38613585	JZNOEOWJBGURCW-UHFFFAOYSA-N	322.435	3.001	10	30	DGCC	
CC1(C)c2cc(O)c(O)cc2C(C)(C)c2cc(O)c(O)cc21	5765898	OVYOPMBBXJXHQV-UHFFFAOYSA-N	300.354	3.474	10	30	DGCC	
O=C1NN=C(c2ccccc2)/C1=C1\OC(c2ccccc2)=CS1	12340731	HZOGXUYUINVBII-SDXDJHTJSA-N	320.373	3.494	10	30	DGCC	
Cc1ccc2c(c1)CCCN2CC(=O)c1ccc2c(c1)OCCO2	146129	BZHRBFMOZKNTMG-UHFFFAOYSA-N	323.392	3.402	10	30	DGCC	
CN(C)c1ccc([C@H]2NC(=O)c3ccccc3N2)c(Cl)c1	94628	BOJFETQWYYHJKX-OAHLLOKOSA-N	301.777	3.260	10	30	DGCC	
Nc1ccc(-n2cc(Br)c(C(F)(F)F)n2)cc1	536949512	WCNBVXPVFSDCKC-UHFFFAOYSA-N	306.085	3.236	10	30	DGCC	
O=C(C(=O)c1ccc(C[n+]2ccccc2)cc1)c1ccccc1	38636130	ACPQYOXIAUOCQU-UHFFFAOYSA-N	302.353	3.088	10	30	DGCC	
COc1ccc(/N=N/[C@@H](C(C)=O)C(=O)Nc2ccccc2)cc1	111391250	LFOLAJSVQDPEFG-QBNCKDSPSA-N	311.341	3.375	10	30	DGCC	
COc1ccc(/N=N/[C@H](C(C)=O)C(=O)Nc2ccccc2)cc1	111391255	LFOLAJSVQDPEFG-ZBBYCGENSA-N	311.341	3.375	10	30	DGCC	
COc1cc(/N=N/c2ccc(OCCO)cc2)c(C)cc1N	111407961	DUTCAVFIKKTLQP-VHEBQXMUSA-N	301.346	3.372	10	30	DGCC	
CN(C)c1ccc([C@@H]2NC(=O)c3ccccc3N2)c(Cl)c1	94627	BOJFETQWYYHJKX-HNNXBMFYSA-N	301.777	3.260	10	30	DGCC	
Oc1cc2c(cc1O)[C@@H](COc1ccc(Cl)cc1)NCC2	31541360	GVALVWDQPXGPCE-CQSZACIVSA-N	305.761	3.017	10	30	DGCC	in-man
O=[N+]([O-])c1cnc(Sc2nccc(-c3cccnc3)n2)s1	172406	QHPBANPKTYSJRV-UHFFFAOYSA-N	317.355	3.055	10	30	DGCC	
COc1cc(/N=N/c2ccc(O)c(C(=O)O)c2)c(C)cc1N	111851583	GYFIHCVUPLPXFH-ISLYRVAYSA-N	301.302	3.405	10	30	DGCC	
CSC1=NC(=O)C(=Cc2ccccc2-n2cccn2)S1	2265278788	IGNJNTFJFYEJLP-UHFFFAOYSA-N	301.396	3.206	10	30	DGCC	
Nc1ccc(OCCCCCN2C(=O)c3ccccc3C2=O)cc1	1843074	GIIGAFADHXYOPM-UHFFFAOYSA-N	324.380	3.114	10	30	DGCC	in-man
CN(C)c1ccc(N=Nc2ccccc2S(=O)(=O)O)cc1	255991238	NYEYRSGIVKKHMU-UHFFFAOYSA-N	305.359	3.415	10	30	DGCC	
COc1ccc(N2CCC[C@@]2(CO)c2ccc(OC)cc2)cc1	2265364126	DCZIQCGGXINVJN-LJQANCHMSA-N	313.397	3.192	10	30	DGCC	
Nc1ccc(-n2ncc(Br)c2C(F)(F)F)cc1	36378528	XMNQYPCZDQTZNI-UHFFFAOYSA-N	306.085	3.236	10	30	DGCC	
O=[N+]([O-])c1cnc(Sc2nc(-c3cccs3)n[nH]2)s1	2147563	JPKIXQYTMUWIFM-UHFFFAOYSA-N	311.373	3.049	10	30	DGCC	
[N-]=[N+]=N[C@H]1COC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O	1857792951	HWEZTZZNQPPUFT-FABXCBLPSA-N	324.340	3.369	10	30	DGCC