smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCCc2ccc(F)cc2)cn1	ZINC000217976058	569455562	/nfs/dbraw/zinc/45/55/62/569455562.db2.gz	XFMSVSFFURUPCK-UHFFFAOYSA-N	-1	0	426.477	2.958	50	70		IFIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc2c(c1)n(C)c(=O)n2C	ZINC000218033269	569456045	/nfs/dbraw/zinc/45/60/45/569456045.db2.gz	MBHXSPFIWWBOJV-CYBMUJFWSA-N	-1	0	448.431	2.641	50	70		IFIARM
Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3c(c2)OCCO3)cn1	ZINC000217975522	569455539	/nfs/dbraw/zinc/45/55/39/569455539.db2.gz	PQDOUKVTLNUGNB-UHFFFAOYSA-N	-1	0	438.469	2.679	50	70		IFIARM
COC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cnn(C)c2)cc1	ZINC000217975104	569455482	/nfs/dbraw/zinc/45/54/82/569455482.db2.gz	PPAVJCXQZQBAHS-UHFFFAOYSA-N	-1	0	438.469	2.694	50	70		IFIARM
COC(=O)C[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1c([O-])c2ccccc2oc1=O	ZINC000217716778	569452122	/nfs/dbraw/zinc/45/21/22/569452122.db2.gz	VWJFURJCCDXSQT-CYBMUJFWSA-N	-1	0	435.388	2.764	50	70		IFIARM
CC(=O)Nc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cnn(C)c2)c1	ZINC000217974878	569455497	/nfs/dbraw/zinc/45/54/97/569455497.db2.gz	SUKKGULUYFLTQO-UHFFFAOYSA-N	-1	0	437.485	2.866	50	70		IFIARM
Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCCOc2ccc(F)cc2)cn1	ZINC000217972905	569455525	/nfs/dbraw/zinc/45/55/25/569455525.db2.gz	FIEBSDNLPMJHOE-UHFFFAOYSA-N	-1	0	442.476	2.794	50	70		IFIARM
COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cnn(C)c2)c(OC)c1	ZINC000217975423	569455518	/nfs/dbraw/zinc/45/55/18/569455518.db2.gz	XEKHDBFPCDLLOW-UHFFFAOYSA-N	-1	0	440.485	2.925	50	70		IFIARM
Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc3nsnc32)cn1	ZINC000217972782	569455508	/nfs/dbraw/zinc/45/55/08/569455508.db2.gz	WDLHMKXWDQEZKY-UHFFFAOYSA-N	-1	0	438.498	2.912	50	70		IFIARM
COc1ccc2[nH]cc(CCNC(=O)Cn3ccc4c3cccc4NS(C)(=O)=O)c2c1	ZINC000217653562	557172617	/nfs/dbraw/zinc/17/26/17/557172617.db2.gz	WNEBGZDZGPQMPE-UHFFFAOYSA-N	-1	0	440.525	2.862	50	70		IFIARM
COC(=O)C[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1c([O-])c2ccccc2oc1=O	ZINC000217716838	569452117	/nfs/dbraw/zinc/45/21/17/569452117.db2.gz	VWJFURJCCDXSQT-ZDUSSCGKSA-N	-1	0	435.388	2.764	50	70		IFIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc2c(c1)n(C)c(=O)n2C	ZINC000218033182	569456061	/nfs/dbraw/zinc/45/60/61/569456061.db2.gz	MBHXSPFIWWBOJV-ZDUSSCGKSA-N	-1	0	448.431	2.641	50	70		IFIARM