smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC1CCN(C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)CC1	ZINC000217793127	553053378	/nfs/dbraw/zinc/05/33/78/553053378.db2.gz	NQVHEFCIJQRCKF-UHFFFAOYSA-N	0	3	386.945	2.745	50	70		GFIAHN
C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(CN3CCCCC3)cc1)C2	ZINC000218754113	570340372	/nfs/dbraw/zinc/34/03/72/570340372.db2.gz	NDNHVAIDWGMVRN-KRWDZBQOSA-N	0	3	382.508	2.968	50	70		GFIAHN
CN1CCN(C[C@@H]2CCCN(C(=O)CCSCc3ccccc3)C2)CC1	ZINC000218271772	570329598	/nfs/dbraw/zinc/32/95/98/570329598.db2.gz	MCUYBSCGQFKNMY-FQEVSTJZSA-N	0	3	375.582	2.796	50	70		GFIAHN
Cc1c(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCCC2)c2cc(O)ccc2n1C	ZINC000218541056	211760470	/nfs/dbraw/zinc/76/04/70/211760470.db2.gz	OUTLTAXRVNGXFN-CGRMTHRGSA-N	0	3	383.492	2.564	50	70		GFIAHN
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(CN3CCCCC3)cc1)C2	ZINC000218754066	570340232	/nfs/dbraw/zinc/34/02/32/570340232.db2.gz	NDNHVAIDWGMVRN-QGZVFWFLSA-N	0	3	382.508	2.968	50	70		GFIAHN
COC1CCN(C2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)CC1	ZINC000217792937	553053481	/nfs/dbraw/zinc/05/34/81/553053481.db2.gz	YPPZBZUKCMHULP-UHFFFAOYSA-N	0	3	386.945	2.912	50	70		GFIAHN
CN1CCN(C[C@H]2CCCN(C(=O)CCSCc3ccccc3)C2)CC1	ZINC000218271833	570329444	/nfs/dbraw/zinc/32/94/44/570329444.db2.gz	MCUYBSCGQFKNMY-HXUWFJFHSA-N	0	3	375.582	2.796	50	70		GFIAHN