smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(S(=O)(=O)[N-]CCC(=O)[O-])o1	ZINC000261564160	187396240	/nfs/dbraw/zinc/39/62/40/187396240.db2.gz	CHTUDRCXUPJAJH-UHFFFAOYSA-N	-2	1	244.228	-0.096	20	30		BBEDML
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000261588247	384643776	/nfs/dbraw/zinc/64/37/76/384643776.db2.gz	SGFIZACROFZCFQ-RXMQYKEDSA-N	-2	1	244.228	-0.097	20	30		BBEDML
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]	ZINC000261588248	384643243	/nfs/dbraw/zinc/64/32/43/384643243.db2.gz	SGFIZACROFZCFQ-YFKPBYRVSA-N	-2	1	244.228	-0.097	20	30		BBEDML
N#Cc1ccc(S(=O)(=O)[N-]CC(=O)[O-])o1	ZINC000308851181	188165567	/nfs/dbraw/zinc/16/55/67/188165567.db2.gz	OLDLJZXFIHVWSS-UHFFFAOYSA-N	-2	1	230.201	-0.486	20	30		BBEDML
O=C([O-])c1cc(C=NN=c2nc[nH][n-]2)c[nH]1	ZINC000393452265	711159452	/nfs/dbraw/zinc/15/94/52/711159452.db2.gz	FDLBJYOPPYCGIU-UHFFFAOYSA-N	-2	1	220.192	-0.301	20	30		BBEDML
CC#CC[C@@H]([N-]S(=O)(=O)C(F)F)C(=O)[O-]	ZINC000817420424	586803439	/nfs/dbraw/zinc/80/34/39/586803439.db2.gz	UNCWUADHLACUDM-RXMQYKEDSA-N	-2	1	241.215	-0.005	20	30		BBEDML
CC#CC[C@H]([N-]S(=O)(=O)C(F)F)C(=O)[O-]	ZINC000817420425	586803308	/nfs/dbraw/zinc/80/33/08/586803308.db2.gz	UNCWUADHLACUDM-YFKPBYRVSA-N	-2	1	241.215	-0.005	20	30		BBEDML
C=CCCONC(=O)CCc1nn[nH]n1	ZINC000869282941	589596250	/nfs/dbraw/zinc/59/62/50/589596250.db2.gz	VZIMQFBGMJZWML-UHFFFAOYSA-N	-2	1	211.225	-0.244	20	30		BBEDML
C=CCCONC(=O)CCc1nn[n-]n1	ZINC000869282941	589596248	/nfs/dbraw/zinc/59/62/48/589596248.db2.gz	VZIMQFBGMJZWML-UHFFFAOYSA-N	-2	1	211.225	-0.244	20	30		BBEDML