smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)[O-])cc2)nc(C)n1	ZINC000019640821	569325022	/nfs/dbraw/zinc/32/50/22/569325022.db2.gz	CRDFRHIEYSAUMV-CFGMGRTJSA-N	-1	2	444.513	2.580	40	0		IFABLM
COc1cc2c(c(OC)c1OC)-c1ccc(O[P@@](=O)([O-])O)cc1[C@@H](NC(C)=O)CC2	ZINC000003993833	562940595	/nfs/dbraw/zinc/94/05/95/562940595.db2.gz	UGBMEXLBFDAOGL-INIZCTEOSA-N	-1	2	437.385	2.974	40	0	investigational	IFABLM
COc1cc2c(c(OC)c1OC)-c1ccc(O[P@](=O)([O-])O)cc1[C@@H](NC(C)=O)CC2	ZINC000003993833	562940597	/nfs/dbraw/zinc/94/05/97/562940597.db2.gz	UGBMEXLBFDAOGL-INIZCTEOSA-N	-1	2	437.385	2.974	40	0	investigational	IFABLM
CC1(C(=O)N2CCC[C@H]2c2n[nH]cc2S(C)(=O)=O)CC[NH+](Cc2ccccc2)CC1	ZINC000257248212	568687601	/nfs/dbraw/zinc/68/76/01/568687601.db2.gz	JCQKBRHRSYUMHS-SFHVURJKSA-N	-1	2	430.574	2.779	40	0		IFABLM
O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)NCCCn1cc[nH+]c1	ZINC000408588691	555940852	/nfs/dbraw/zinc/94/08/52/555940852.db2.gz	DPWZUYVAAVFNOM-UHFFFAOYSA-N	-1	2	448.932	2.923	40	0		IFABLM
CC1(C(=O)N2CCC[C@@H]2c2n[nH]cc2S(C)(=O)=O)CC[NH+](Cc2ccccc2)CC1	ZINC000257248211	568687641	/nfs/dbraw/zinc/68/76/41/568687641.db2.gz	JCQKBRHRSYUMHS-GOSISDBHSA-N	-1	2	430.574	2.779	40	0		IFABLM
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)[O-])cc2)nc(C)n1	ZINC000019640826	569325036	/nfs/dbraw/zinc/32/50/36/569325036.db2.gz	CRDFRHIEYSAUMV-WXRFYESLSA-N	-1	2	444.513	2.580	40	0		IFABLM
O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc2cccnc21	ZINC000013948406	556344227	/nfs/dbraw/zinc/34/42/27/556344227.db2.gz	LALYJVNZWMMARP-UHFFFAOYSA-N	-1	2	441.494	2.626	40	0		IFABLM