smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N1CCN(c2ccc(Oc3cc(N4CCN(C(C)=O)CC4)ccc3OC[C@@H]3CO[C@@](Cn4cc[nH+]c4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1	ZINC000094303108	553695594	/nfs/dbraw/zinc/69/55/94/553695594.db2.gz	VMDQNVDMNGLNOT-VRLMBGIESA-N	1	2	749.696	5.667	10	10	in-vitro	KKCELO
CC(=O)N1CCN(c2ccc(Oc3cc(N4CCN(C(C)=O)CC4)ccc3OC[C@H]3CO[C@@](Cn4cc[nH+]c4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1	ZINC000094303109	553695582	/nfs/dbraw/zinc/69/55/82/553695582.db2.gz	VMDQNVDMNGLNOT-MLZZNZMKSA-N	1	2	749.696	5.667	10	10	in-vitro	KKCELO
O=C(c1cc(C(=O)C(F)(F)F)c2c(-c3ccccc3)n(Cc3ccccc3)[nH+]c(-c3ccccc3)c1-2)C(F)(F)F	ZINC000103603442	555454665	/nfs/dbraw/zinc/45/46/65/555454665.db2.gz	AZUSENJMPJKLPW-UHFFFAOYSA-N	1	2	552.474	7.860	10	10		KKCELO
CC(=O)N1CCN(c2ccc(Oc3cc(N4CCN(C(C)=O)CC4)ccc3OC[C@@H]3CO[C@](Cn4cc[nH+]c4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1	ZINC000094303110	553695507	/nfs/dbraw/zinc/69/55/07/553695507.db2.gz	VMDQNVDMNGLNOT-XLWWBGEVSA-N	1	2	749.696	5.667	10	10	in-vitro	KKCELO
CC(=O)N1CCN(c2ccc(Oc3cc(N4CCN(C(C)=O)CC4)ccc3OC[C@H]3CO[C@](Cn4cc[nH+]c4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1	ZINC000094303111	553695556	/nfs/dbraw/zinc/69/55/56/553695556.db2.gz	VMDQNVDMNGLNOT-BAOFOTJISA-N	1	2	749.696	5.667	10	10	in-vitro	KKCELO