smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(-c2cc(C(=O)[O-])ccc2[O-])cs1	ZINC000085390071	385151515	/nfs/dbraw/zinc/15/15/15/385151515.db2.gz	JPWBSEMONHONID-UHFFFAOYSA-N	-2	3	235.264	2.522	40	0		BFABHL
O=C([O-])c1sc2cc(O)cc([O-])c2c1Cl	ZINC000228954239	526412708	/nfs/dbraw/zinc/41/27/08/526412708.db2.gz	CLVHPMVZNGAJNK-UHFFFAOYSA-N	-2	3	244.655	2.664	40	0		BFABHL
O=Cc1cc(-c2ccc(C(=O)[O-])cc2)ccc1[O-]	ZINC000016946456	384473655	/nfs/dbraw/zinc/47/36/55/384473655.db2.gz	RWFQKROUDWRLDZ-UHFFFAOYSA-N	-2	3	242.230	2.570	40	0		BFABHL
O=Cc1cc(-c2ccccc2C(=O)[O-])ccc1[O-]	ZINC000096312814	347283234	/nfs/dbraw/zinc/28/32/34/347283234.db2.gz	LBOLJCAWYOULMR-UHFFFAOYSA-N	-2	3	242.230	2.570	40	0		BFABHL
O=P([O-])([O-])C1c2ccccc2-c2ccccc21	ZINC000001682479	386570095	/nfs/dbraw/zinc/57/00/95/386570095.db2.gz	IZTWMJRGKYHMCJ-UHFFFAOYSA-N	-2	3	246.202	2.934	40	0		BFABHL
Cc1ccc2ccccc2c1CP(=O)([O-])[O-]	ZINC000001592240	342704940	/nfs/dbraw/zinc/70/49/40/342704940.db2.gz	IROGPQZGHLVZRV-UHFFFAOYSA-N	-2	3	236.207	2.826	40	0		BFABHL
O=C([O-])c1sc2c(cc(O)cc2[O-])c1Cl	ZINC000228938385	526412969	/nfs/dbraw/zinc/41/29/69/526412969.db2.gz	NDQHPTLLWINFBB-UHFFFAOYSA-N	-2	3	244.655	2.664	40	0		BFABHL
O=C([O-])/C=C/c1ccc2ccccc2c1[O-]	ZINC000002504912	386294568	/nfs/dbraw/zinc/29/45/68/386294568.db2.gz	XWLBEPORTYLVSD-BQYQJAHWSA-N	-2	3	214.220	2.643	40	0		BFABHL
[S-]c1cc([S-])c([S-])cc1[S-]	ZINC000039273829	343387784	/nfs/dbraw/zinc/38/77/84/343387784.db2.gz	KVPDTCNNKWOGMZ-UHFFFAOYSA-N	-4	3	206.382	2.841	40	0		BFABHL
O=Cc1cc(-c2cccc(C(=O)[O-])c2)ccc1[O-]	ZINC000016946460	182861137	/nfs/dbraw/zinc/86/11/37/182861137.db2.gz	DSJFOIXLIUILMN-UHFFFAOYSA-N	-2	3	242.230	2.570	40	0		BFABHL