smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSc1ccc2[n-]c([O-])c(C(=O)N(C)c3ccccc3)c(=O)c2c1	ZINC000028000839	202163921	/nfs/dbraw/zinc/16/39/21/202163921.db2.gz	XNVYBMOZVZPJQA-UHFFFAOYSA-N	-2	0	340.404	3.232	1	0		EGAFRL
COc1cc(/C=C/c2ccc(OP(=O)([O-])[O-])cc2)cc(OC)c1	ZINC000029123578	202182027	/nfs/dbraw/zinc/18/20/27/202182027.db2.gz	YEYYONQIEGEOIL-ONEGZZNKSA-N	-2	0	336.280	3.346	1	0		EGAFRL
O=C([O-])CCc1ccc(-c2ccc3cc(C(=O)[O-])n(O)c3c2)cc1	ZINC000073139161	216354555	/nfs/dbraw/zinc/35/45/55/216354555.db2.gz	GKGNPXSWKMTHOR-UHFFFAOYSA-N	-2	0	325.320	3.261	1	0		EGAFRL
CSc1nc(-c2ccc(P(=O)([O-])[O-])o2)c(CC(C)C)s1	ZINC000066099551	215010067	/nfs/dbraw/zinc/01/00/67/215010067.db2.gz	RGIYPSOAGCFSHX-UHFFFAOYSA-N	-2	0	333.371	3.127	1	0		EGAFRL
CC(C)=CCC/C(C)=C(\F)CO[P@](=O)([O-])OP(=O)([O-])[O-]	ZINC000013539354	560218965	/nfs/dbraw/zinc/21/89/65/560218965.db2.gz	BYJNSLXDWGDGAC-KTKRTIGZSA-N	-3	0	332.201	3.203	1	0	in-vitro	EGAFRL
CCCc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1	ZINC000027188739	212549321	/nfs/dbraw/zinc/54/93/21/212549321.db2.gz	VIJJEPRZLRLBDM-UHFFFAOYSA-N	-2	0	327.336	3.288	1	0		EGAFRL
Cc1nc(Cc2cccc3ccccc32)c(C(=O)[O-])c(C(=O)[O-])c1O	ZINC000103241998	204068845	/nfs/dbraw/zinc/06/88/45/204068845.db2.gz	GWBXHPALJXVBSG-UHFFFAOYSA-N	-2	0	337.331	3.236	1	0		EGAFRL
CC(C)OP(=O)([O-])C(Cl)(Cl)[P@](=O)([O-])OC(C)C	ZINC000026404395	202142704	/nfs/dbraw/zinc/14/27/04/202142704.db2.gz	SAOXZPMFJMHTDO-UHFFFAOYSA-N	-2	0	329.053	3.296	1	0		EGAFRL
CCCCCCO[P@@](=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-]	ZINC000026392857	202143124	/nfs/dbraw/zinc/14/31/24/202143124.db2.gz	IPURVIXSXJUNHF-UHFFFAOYSA-N	-3	0	329.053	3.035	1	0		EGAFRL
O=C([O-])CN(C(=O)c1cccc(C(F)(F)F)c1[S-])C1CCCC1	ZINC000026985593	212543629	/nfs/dbraw/zinc/54/36/29/212543629.db2.gz	WXDNZGYVWOUYAC-UHFFFAOYSA-N	-2	0	347.358	3.464	1	0		EGAFRL
O=C([O-])c1cccc(OCCCc2c(=O)oc3ccccc3c2[O-])c1	ZINC000006583514	210658863	/nfs/dbraw/zinc/65/88/63/210658863.db2.gz	WGDXOUXIHALQAU-UHFFFAOYSA-N	-2	0	340.331	3.208	1	0		EGAFRL
[O-]c1ccc(Cl)cc1-c1nnc(-c2cc(Cl)ccc2[O-])nn1	ZINC000040763201	213384275	/nfs/dbraw/zinc/38/42/75/213384275.db2.gz	TWPCFULIQDPWLO-UHFFFAOYSA-N	-2	0	335.150	3.319	1	0		EGAFRL
O=C([O-])c1cc2c(cc1C(=O)[O-])/C(=C/c1ccc(Cl)cc1)OC2=O	ZINC000028469213	212620732	/nfs/dbraw/zinc/62/07/32/212620732.db2.gz	FTYINZSVKQWDEQ-RZNTYIFUSA-N	-2	0	344.706	3.405	1	0		EGAFRL
CC(C)=CCC/C(C)=C(/F)CO[P@](=O)([O-])OP(=O)([O-])[O-]	ZINC000013539357	560219049	/nfs/dbraw/zinc/21/90/49/560219049.db2.gz	BYJNSLXDWGDGAC-MDZDMXLPSA-N	-3	0	332.201	3.203	1	0	in-vitro	EGAFRL