smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc([C@@H]2N[C@H](C(=O)[O-])CS2)c1[O-]	ZINC000083236734	187266914	/nfs/dbraw/zinc/26/69/14/187266914.db2.gz	FSTKATSQERJULM-WCBMZHEXSA-N	-2	3	239.296	1.489	10	10		BDCEHL
O=S(=O)([O-])c1cc(O)c([O-])c2ccccc21	ZINC000019733154	187314188	/nfs/dbraw/zinc/31/41/88/187314188.db2.gz	YBEQJFZNOBLHMJ-UHFFFAOYSA-N	-2	3	240.236	1.498	10	10		BDCEHL
Cc1cccc([O-])c1[C@@H]1N[C@H](C(=O)[O-])CS1	ZINC000083236716	179161998	/nfs/dbraw/zinc/16/19/98/179161998.db2.gz	UUTAWQLYOPMUQN-OIBJUYFYSA-N	-2	3	239.296	1.489	10	10		BDCEHL
Cc1cccc([C@H]2N[C@@H](C(=O)[O-])CS2)c1[O-]	ZINC000083236739	179205694	/nfs/dbraw/zinc/20/56/94/179205694.db2.gz	FSTKATSQERJULM-SCZZXKLOSA-N	-2	3	239.296	1.489	10	10		BDCEHL
Cc1cccc([C@H]2N[C@H](C(=O)[O-])CS2)c1[O-]	ZINC000083236736	179205716	/nfs/dbraw/zinc/20/57/16/179205716.db2.gz	FSTKATSQERJULM-WPRPVWTQSA-N	-2	3	239.296	1.489	10	10		BDCEHL
O=C([O-])C1CN(Cc2cc(F)cc(F)c2[O-])C1	ZINC000708075168	977413709	/nfs/dbraw/zinc/41/37/09/977413709.db2.gz	JZFRUZLLWSSYPN-UHFFFAOYSA-N	-2	3	243.209	1.187	10	10		BDCEHL
Cc1cccc([O-])c1[C@H]1N[C@H](C(=O)[O-])CS1	ZINC000083236718	179161961	/nfs/dbraw/zinc/16/19/61/179161961.db2.gz	UUTAWQLYOPMUQN-XVKPBYJWSA-N	-2	3	239.296	1.489	10	10		BDCEHL
O=C([O-])c1c(F)c([O-])c(O)c(F)c1F	ZINC000039096728	384102710	/nfs/dbraw/zinc/10/27/10/384102710.db2.gz	YUHVKHYMBFPRNG-UHFFFAOYSA-N	-2	3	208.091	1.213	10	10		BDCEHL
Cc1cc([O-])c(O)c2oc(=O)cc([O-])c12	ZINC000014814586	178196673	/nfs/dbraw/zinc/19/66/73/178196673.db2.gz	YCWXVXKGTYLDQL-UHFFFAOYSA-N	-2	3	208.169	1.218	10	10		BDCEHL
O=c1ccccc2cc([O-])c(O)c([O-])c21	ZINC000039096366	183002461	/nfs/dbraw/zinc/00/24/61/183002461.db2.gz	LGDZEJYTMDXUFS-UHFFFAOYSA-N	-2	3	204.181	1.317	10	10		BDCEHL
O=C([O-])c1cc2cc([O-])c(O)cc2cn1	ZINC000039096528	343382667	/nfs/dbraw/zinc/38/26/67/343382667.db2.gz	PQOLJBHSFABTRG-UHFFFAOYSA-N	-2	3	205.169	1.344	10	10		BDCEHL
Cc1cccc([C@@H]2N[C@@H](C(=O)[O-])CS2)c1[O-]	ZINC000083236737	188295572	/nfs/dbraw/zinc/29/55/72/188295572.db2.gz	FSTKATSQERJULM-PSASIEDQSA-N	-2	3	239.296	1.489	10	10		BDCEHL
O=C([O-])c1cc(O)c(Cl)c([O-])c1O	ZINC000075605259	182557243	/nfs/dbraw/zinc/55/72/43/182557243.db2.gz	DDBZSFXQQLXQPS-UHFFFAOYSA-N	-2	3	204.565	1.155	10	10		BDCEHL
O=C([O-])C1CN(Cc2cc(Cl)ccc2[O-])C1	ZINC000083415821	345918717	/nfs/dbraw/zinc/91/87/17/345918717.db2.gz	UBFIWOCBPCBPEI-UHFFFAOYSA-N	-2	3	241.674	1.562	10	10		BDCEHL
Cc1cccc([O-])c1[C@@H]1N[C@@H](C(=O)[O-])CS1	ZINC000083236719	179161790	/nfs/dbraw/zinc/16/17/90/179161790.db2.gz	UUTAWQLYOPMUQN-GMSGAONNSA-N	-2	3	239.296	1.489	10	10		BDCEHL
Cc1cccc([O-])c1[C@H]1N[C@@H](C(=O)[O-])CS1	ZINC000083236722	179162183	/nfs/dbraw/zinc/16/21/83/179162183.db2.gz	UUTAWQLYOPMUQN-XCBNKYQSSA-N	-2	3	239.296	1.489	10	10		BDCEHL
Cc1oc2ccc(O)c(=O)c-2c([O-])c1[O-]	ZINC000039096787	343382554	/nfs/dbraw/zinc/38/25/54/343382554.db2.gz	ZKGMJXQRUGZMRC-UHFFFAOYSA-N	-2	3	208.169	1.218	10	10		BDCEHL
Cc1cc(=O)oc2c(O)c([O-])cc(C(=O)[O-])c12	ZINC000039377037	358225678	/nfs/dbraw/zinc/22/56/78/358225678.db2.gz	NLMDNTZVFUXMNT-UHFFFAOYSA-N	-2	3	236.179	1.211	10	10		BDCEHL