smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C(=N\[NH+]=C(N)N)[C@@H](C[NH+](CC(C)C)CC(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	ZINC000025586033	553812196	/nfs/dbraw/zinc/81/21/96/553812196.db2.gz	WUXKBQSQNLFGIO-LVPSPYOXSA-N	2	2	505.663	4.510	50	30		KJEALP
C/C(=N\[NH+]=C(N)N)[C@H](C[NH+](CC(C)C)CC(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	ZINC000025586038	553812217	/nfs/dbraw/zinc/81/22/17/553812217.db2.gz	WUXKBQSQNLFGIO-ADIFHMARSA-N	2	2	505.663	4.510	50	30		KJEALP
C[NH2+]CC(=O)OCc1cccnc1N(C)C(=O)O[C@H](C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1	ZINC000029571072	553846645	/nfs/dbraw/zinc/84/66/45/553846645.db2.gz	RSWOJTICKMKTER-GEJZGCERSA-N	2	2	717.779	4.585	50	30	fda	KJEALP
C[NH2+]CC(=O)OCc1cccnc1N(C)C(=O)O[C@@H](C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1	ZINC000049637509	554324214	/nfs/dbraw/zinc/32/42/14/554324214.db2.gz	RSWOJTICKMKTER-KBEDJVHFSA-N	2	2	717.779	4.585	50	30	fda	KJEALP
CC(C)(C)c1cc(/C=N/CC/N=C/c2cc(C(C)(C)C)cc(C[NH+]3CCOCC3)c2O)c(O)c(C[NH+]2CCOCC2)c1	ZINC000060290876	554505001	/nfs/dbraw/zinc/50/50/01/554505001.db2.gz	MAEYPXSULABSLQ-JTOYJDTJSA-N	2	2	578.798	4.895	50	30		KJEALP
C/C(=N\NC(N)=[NH2+])[C@@H](C[NH+](CC(C)C)CC(C)C)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	ZINC000102308911	554909462	/nfs/dbraw/zinc/90/94/62/554909462.db2.gz	WUXKBQSQNLFGIO-OBKMEOAUSA-N	2	2	505.663	4.720	50	30		KJEALP
C/C(=N\NC(N)=[NH2+])[C@H](C[NH+](CC(C)C)CC(C)C)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	ZINC000102308916	554909494	/nfs/dbraw/zinc/90/94/94/554909494.db2.gz	WUXKBQSQNLFGIO-JOUCSPNESA-N	2	2	505.663	4.720	50	30		KJEALP