smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@H]1CC[C@@H](OS(C)(=O)=O)CC1	ZINC000378909564	329113719	/nfs/dbraw/zinc/11/37/19/329113719.db2.gz	ILPLJIXVYSSTFO-DTORHVGOSA-N	0	0	250.316	1.085	30	30		CDECRN
CN(C)C(=O)C(Cl)=NNc1ccc([N+](=O)[O-])cc1	ZINC000100505640	358831133	/nfs/dbraw/zinc/83/11/33/358831133.db2.gz	QJHQAMNBMPBCJE-UKTHLTGXSA-N	0	0	270.676	1.647	30	30		CDECRN
CN(C)C(=O)C(Cl)=NNc1ccccc1[N+](=O)[O-]	ZINC000100505643	358831350	/nfs/dbraw/zinc/83/13/50/358831350.db2.gz	CVOIQBSDPUUIKX-UKTHLTGXSA-N	0	0	270.676	1.647	30	30		CDECRN
CCO/C(=C/C(=O)C(F)(F)F)N1CCN(C)CC1	ZINC000079387582	358068612	/nfs/dbraw/zinc/06/86/12/358068612.db2.gz	IUOFIYWZJKVCNS-CSKARUKUSA-N	0	0	266.263	1.243	30	30		CDECRN
COc1cc(Br)cn2ncc(C#N)c12	ZINC000117488031	1175006441	/nfs/dbraw/zinc/00/64/41/1175006441.db2.gz	JTEWRYBKHXGXHP-UHFFFAOYSA-N	0	0	252.071	1.977	30	30		CDECRN
CC(C)(C)OC(=O)N1CC2(CC(OS(C)(=O)=O)C2)C1	ZINC000146740648	1177923255	/nfs/dbraw/zinc/92/32/55/1177923255.db2.gz	PVWNPIKNKQATNC-UHFFFAOYSA-N	0	0	291.369	1.362	30	30		CDECRN
CCO/C(=C/C(=O)C(F)(F)F)N1CCOCC1	ZINC000079387589	177474342	/nfs/dbraw/zinc/47/43/42/177474342.db2.gz	ZRZIPUTWHZAYAJ-VQHVLOKHSA-N	0	0	253.220	1.328	30	30		CDECRN