smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(N2C(=O)[N-]C(=O)C(=CNN3C(=O)c4cccc5cc([O-])cc(c54)C3=O)C2=O)ccc1Br	ZINC000100959056	554541692	/nfs/dbraw/zinc/54/16/92/554541692.db2.gz	MUWZIOBRCXZFIO-YVLHZVERSA-N	-2	3	535.310	2.884	40	10		KFCBHL
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(S(=O)(=O)[N-]c3ccc(O)c(C(=O)[O-])c3)c3cccc4c3c2NC4=O)ccc1O	ZINC000102628686	554988485	/nfs/dbraw/zinc/98/84/85/554988485.db2.gz	PDRNGFRTJRGNJW-UHFFFAOYSA-N	-4	3	599.555	2.815	40	10		KFCBHL
O=C1c2c([O-])cc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=NNc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc([O-])c21	ZINC000261109255	572093943	/nfs/dbraw/zinc/09/39/43/572093943.db2.gz	HUCRMWBRQRSUCH-UHFFFAOYSA-N	-6	3	650.599	2.512	40	10		KFCBHL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3c([O-])n(-c4ccc(Cl)cc4)c(=S)[n-]c3=O)C2=O)ccc1Br	ZINC000408763312	1059570680	/nfs/dbraw/zinc/57/06/80/1059570680.db2.gz	SAAVWZUVECMGBY-AAWPKVBNSA-N	-3	3	561.801	2.984	40	10		KFCBHL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3c([O-])n(-c4ccc(Cl)cc4)c(=S)[n-]c3=O)C2=O)ccc1Br	ZINC000408763317	1059570809	/nfs/dbraw/zinc/57/08/09/1059570809.db2.gz	SAAVWZUVECMGBY-HNRFISLBSA-N	-3	3	561.801	2.984	40	10		KFCBHL
Cc1ccc(-n2c([O-])c(C=C3C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)c(=O)[n-]c2=S)cc1C	ZINC000408764410	1059570864	/nfs/dbraw/zinc/57/08/64/1059570864.db2.gz	RUPVGAKLBLQLDJ-LPPOOGIUSA-N	-3	3	555.410	2.948	40	10		KFCBHL
Cc1ccc(-n2c([O-])c(C=C3C(=O)[N-]C(=O)N(c4ccc(Br)c(C)c4)C3=O)c(=O)[n-]c2=S)cc1C	ZINC000408764411	1059570637	/nfs/dbraw/zinc/57/06/37/1059570637.db2.gz	RUPVGAKLBLQLDJ-RNIVLKNTSA-N	-3	3	555.410	2.948	40	10		KFCBHL
Cc1ccc(-n2c([O-])c(C=C3C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)c(=O)[n-]c2=S)cc1C	ZINC000408989218	1059632541	/nfs/dbraw/zinc/63/25/41/1059632541.db2.gz	SONHQBPZYAJLIT-BRVCPTFNSA-N	-3	3	510.959	2.839	40	10		KFCBHL
Cc1ccc(-n2c(O)c(C=C3C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)c(=O)[n-]c2=S)cc1C	ZINC000408989218	1059632527	/nfs/dbraw/zinc/63/25/27/1059632527.db2.gz	SONHQBPZYAJLIT-BRVCPTFNSA-N	-2	3	510.959	2.839	40	10		KFCBHL
Cc1ccc(-n2c([O-])c(C=C3C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)c(=O)[n-]c2=S)cc1C	ZINC000408989220	1059632741	/nfs/dbraw/zinc/63/27/41/1059632741.db2.gz	SONHQBPZYAJLIT-KGZWWPETSA-N	-3	3	510.959	2.839	40	10		KFCBHL
Cc1ccc(-n2c(O)c(C=C3C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)c(=O)[n-]c2=S)cc1C	ZINC000408989220	1059632727	/nfs/dbraw/zinc/63/27/27/1059632727.db2.gz	SONHQBPZYAJLIT-KGZWWPETSA-N	-2	3	510.959	2.839	40	10		KFCBHL
COc1ccc(N2C(=O)/C(=C/c3ccc([O-])c(I)c3)C(=O)[N-]C2=S)c(OC)c1	ZINC000409073126	1059033090	/nfs/dbraw/zinc/03/30/90/1059033090.db2.gz	VCGODLHEXURNCB-KPKJPENVSA-N	-2	3	510.309	2.845	40	10		KFCBHL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c([O-])n(-c4ccc(Cl)cc4)c(=S)[n-]c3=O)C2=O)cc1Cl	ZINC000409335086	1059725865	/nfs/dbraw/zinc/72/58/65/1059725865.db2.gz	JSKNZNMVTAAQMT-KQGZCTBQSA-N	-3	3	517.350	2.875	40	10		KFCBHL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c([O-])n(-c4ccc(Cl)cc4)c(=S)[n-]c3=O)C2=O)cc1Cl	ZINC000409335098	1059726560	/nfs/dbraw/zinc/72/65/60/1059726560.db2.gz	JSKNZNMVTAAQMT-MZLJFPOFSA-N	-3	3	517.350	2.875	40	10		KFCBHL
O=C1c2c([O-])cc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=NNc1ccc(Cl)cc1P(=O)([O-])[O-]	ZINC000604972773	1059003420	/nfs/dbraw/zinc/00/34/20/1059003420.db2.gz	MEAUOUSSRBVKRD-UHFFFAOYSA-N	-5	3	538.836	2.616	40	10		KFCBHL