smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([O-])c1ccc(N=Nc2ccc(N=Nc3c(O)c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])ccc43)c(S(=O)(=O)[O-])c2)cc1	ZINC000095736089	553711326	/nfs/dbraw/zinc/71/13/26/553711326.db2.gz	RKNMXKUOQDDLGF-POVUZCFVSA-N	-4	1	672.653	2.470	40	30		KEEBML
CCCCCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])OC1[C@H](O)[C@H](O)C(OP(=O)([O-])[O-])[C@H](O)[C@@H]1O)OC(=O)CCCCCCCC	ZINC000150339861	571457688	/nfs/dbraw/zinc/45/76/88/571457688.db2.gz	HSKNPGLBSRRIJC-ZYZXRLFHSA-N	-3	1	694.645	2.380	40	30	in-vitro	KEEBML
CCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC1[C@H](O)[C@H](O)C(OP(=O)([O-])[O-])[C@H](O)[C@@H]1O)OC(=O)CCCCCCCC	ZINC000150339862	571457674	/nfs/dbraw/zinc/45/76/74/571457674.db2.gz	HSKNPGLBSRRIJC-YMENMQTDSA-N	-3	1	694.645	2.380	40	30	in-vitro	KEEBML
C=CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)[O-])c(Br)c2)C(=O)[N-]C1=S	ZINC000408902094	1066208514	/nfs/dbraw/zinc/20/85/14/1066208514.db2.gz	FWWUADPAZDHDDN-RUDMXATFSA-N	-2	1	504.156	2.488	40	30		KEEBML
C=CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)[O-])c(I)c2)C(=O)[N-]C1=S	ZINC000408902108	1066208308	/nfs/dbraw/zinc/20/83/08/1066208308.db2.gz	GGSPNOZHMXGSFG-RUDMXATFSA-N	-2	1	598.156	2.172	40	30		KEEBML
C=CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)[O-])c(I)c2)C(=O)[N-]C1=S	ZINC000408902791	1066392057	/nfs/dbraw/zinc/39/20/57/1066392057.db2.gz	LHCKUDDFPRPEBD-RUDMXATFSA-N	-2	1	551.156	2.330	40	30		KEEBML
C=CCN1C(=O)/C(=C/c2cc(I)c([O-])c(I)c2)C(=O)[N-]C1=S	ZINC000408903623	1066208623	/nfs/dbraw/zinc/20/86/23/1066208623.db2.gz	UUSBZFCCKSOFCY-XBXARRHUSA-N	-2	1	540.120	2.414	40	30		KEEBML