smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]C1CCN(CCc2cn(-c3ccc(O[C@@H]4CCC[NH2+]C4)nn3)c3ccccc23)CC1	ZINC001170525135	1080643785	/nfs/dbraw/zinc/64/37/85/1080643785.db2.gz	GXWXWKNPCBQHLD-HXUWFJFHSA-N	2	3	420.561	2.517	20	0		HFADHP
COC(OC)c1c(C[NH3+])ccnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21	ZINC001170526292	1080686885	/nfs/dbraw/zinc/68/68/85/1080686885.db2.gz	XIKMASVDYNMQSK-UHFFFAOYSA-N	2	3	423.561	2.741	20	0		HFADHP
CSc1nc(C2C[NH2+]C2)cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1	ZINC001170524301	1080608094	/nfs/dbraw/zinc/60/80/94/1080608094.db2.gz	KRAJVUNZOXLROE-UHFFFAOYSA-N	2	3	422.602	2.795	20	0		HFADHP
[NH3+]C1CCN(CCc2cn(-c3ncc(F)c(C4CC[NH2+]CC4)n3)c3ccccc23)CC1	ZINC001170523830	1080599412	/nfs/dbraw/zinc/59/94/12/1080599412.db2.gz	FCDRAUOJLYGXKN-UHFFFAOYSA-N	2	3	422.552	2.992	20	0		HFADHP
[NH3+]C1CCN(CCc2cn(-c3c[nH+]ccc3N3CCOCC3)c3ccccc23)CC1	ZINC001170528361	1080798901	/nfs/dbraw/zinc/79/89/01/1080798901.db2.gz	NLWXKEFELREYAP-UHFFFAOYSA-N	2	3	405.546	2.828	20	0		HFADHP
[NH3+]C1CCN(CCc2cn(-c3ccc(O[C@H]4CCC[NH2+]C4)nn3)c3ccccc23)CC1	ZINC001170525134	1080643704	/nfs/dbraw/zinc/64/37/04/1080643704.db2.gz	GXWXWKNPCBQHLD-FQEVSTJZSA-N	2	3	420.561	2.517	20	0		HFADHP
[NH3+]C1CCN(CCc2cn(-c3nc(Cl)nc4c3CC[NH2+]CC4)c3ccccc23)CC1	ZINC001170526938	1080764332	/nfs/dbraw/zinc/76/43/32/1080764332.db2.gz	ZGUMXLGYQJQERV-UHFFFAOYSA-N	2	3	424.980	2.728	20	0		HFADHP