smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)NCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](C)C(=O)[O-]	ZINC000819753074	597696870	/nfs/dbraw/zinc/69/68/70/597696870.db2.gz	MJWPKZSBKXTREY-SECBINFHSA-N	-2	3	387.414	-0.185	20	10		GBCDHL
CC(=O)NCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H](C)C(=O)[O-]	ZINC000819753075	597696983	/nfs/dbraw/zinc/69/69/83/597696983.db2.gz	MJWPKZSBKXTREY-VIFPVBQESA-N	-2	3	387.414	-0.185	20	10		GBCDHL
CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1	ZINC000833738526	605544326	/nfs/dbraw/zinc/54/43/26/605544326.db2.gz	ZHOJRYZXQJEOOP-UHFFFAOYSA-N	-2	3	381.370	-0.250	20	10		GBCDHL
COC(=O)[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H]1C(=O)[O-]	ZINC001598814252	996256257	/nfs/dbraw/zinc/25/62/57/996256257.db2.gz	BQPIQYJCZQHVQE-GHMZBOCLSA-N	-2	3	386.382	-0.291	20	10		GBCDHL
COC(=O)[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H]1C(=O)[O-]	ZINC001598814254	996256266	/nfs/dbraw/zinc/25/62/66/996256266.db2.gz	BQPIQYJCZQHVQE-MNOVXSKESA-N	-2	3	386.382	-0.291	20	10		GBCDHL
COC(=O)[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H]1C(=O)[O-]	ZINC001598814256	996256519	/nfs/dbraw/zinc/25/65/19/996256519.db2.gz	BQPIQYJCZQHVQE-QWRGUYRKSA-N	-2	3	386.382	-0.291	20	10		GBCDHL
COC(=O)[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H]1C(=O)[O-]	ZINC001598814258	996256244	/nfs/dbraw/zinc/25/62/44/996256244.db2.gz	BQPIQYJCZQHVQE-WDEREUQCSA-N	-2	3	386.382	-0.291	20	10		GBCDHL