smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(O[P@@](=O)([O-])O)cc(C(C)C)c1/C(c1ccccc1C(=O)[O-])=C1/C(C)=CC(=O)C=C1C(C)C	ZINC000031719492	553861842	/nfs/dbraw/zinc/86/18/42/553861842.db2.gz	XTACPXFWJWEOOF-RFBIWTDZSA-N	-2	2	510.523	6.201	40	30		KKEBLL
Cc1cc(O[P@](=O)([O-])O)cc(C(C)C)c1/C(c1ccccc1C(=O)[O-])=C1/C(C)=CC(=O)C=C1C(C)C	ZINC000031719492	553861843	/nfs/dbraw/zinc/86/18/43/553861843.db2.gz	XTACPXFWJWEOOF-RFBIWTDZSA-N	-2	2	510.523	6.201	40	30		KKEBLL
Oc1c(I)cc(Br)cc1/C=N/c1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(I)c4O)ccc3o2)cc1	ZINC000150357830	571463444	/nfs/dbraw/zinc/46/34/44/571463444.db2.gz	ARVFAPQVVKYYFT-VVKIDXDZSA-N	-2	2	843.051	9.141	40	30		KKEBLL
CCCCCCCCCCCc1c(O)c(=O)cc2[nH]c3cc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc3nc1-2	ZINC000085340976	553678534	/nfs/dbraw/zinc/67/85/34/553678534.db2.gz	DNDIPTBHDYJLAM-OAQYLSRUSA-N	-2	2	539.629	5.315	40	30	biogenic,in-vitro	KKEBLL
Cc1cc2nc(-c3cc(/N=C/c4cc(I)cc(I)c4O)ccc3O)oc2c(C)c1	ZINC000100502818	554406346	/nfs/dbraw/zinc/40/63/46/554406346.db2.gz	MUQRNZZMYBYHCP-KIBLKLHPSA-N	-2	2	610.189	6.483	40	30		KKEBLL
CCCCCCCCCCCc1c(O)c(=O)cc2[nH]c3cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc3nc1-2	ZINC000085340973	553678499	/nfs/dbraw/zinc/67/84/99/553678499.db2.gz	DNDIPTBHDYJLAM-NRFANRHFSA-N	-2	2	539.629	5.315	40	30	biogenic,in-vitro	KKEBLL