smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccccc1N(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O	ZINC000216935429	557163426	/nfs/dbraw/zinc/16/34/26/557163426.db2.gz	KTIVJSXBFZLDKI-UHFFFAOYSA-N	0	1	446.573	2.242	40	70		IEIBMN
Cc1cccc(C)c1N(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O	ZINC000216936403	557163455	/nfs/dbraw/zinc/16/34/55/557163455.db2.gz	LGSUVFDTOYWFDZ-UHFFFAOYSA-N	0	1	430.574	2.460	40	70		IEIBMN
COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CC[NH+](C)CC3)cc2)c1	ZINC000216833823	557157076	/nfs/dbraw/zinc/15/70/76/557157076.db2.gz	LBABQCBOGJGACB-UHFFFAOYSA-N	0	1	433.530	2.085	40	70		IEIBMN
COc1cc2c(cc1OC)-c1[nH]nc(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)c1C2	ZINC000217961037	557175185	/nfs/dbraw/zinc/17/51/85/557175185.db2.gz	YYOPJUJFHCDBNM-DZGCQCFKSA-N	0	1	432.480	2.419	40	70		IEIBMN
CCOc1ccc(N(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1	ZINC000216935490	557163572	/nfs/dbraw/zinc/16/35/72/557163572.db2.gz	JXKQWMCSQNYIQJ-UHFFFAOYSA-N	0	1	446.573	2.242	40	70		IEIBMN
COc1ccc(C)cc1N(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O	ZINC000216936084	557163620	/nfs/dbraw/zinc/16/36/20/557163620.db2.gz	MZTAKIBCIXXMJG-UHFFFAOYSA-N	0	1	446.573	2.160	40	70		IEIBMN
CN1CCN(c2ccc(NC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1	ZINC000216935126	557163074	/nfs/dbraw/zinc/16/30/74/557163074.db2.gz	GVJSDHIFGYHBGE-UHFFFAOYSA-N	0	1	436.965	2.497	40	70		IEIBMN
CCc1ccccc1N(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O	ZINC000216934891	557163151	/nfs/dbraw/zinc/16/31/51/557163151.db2.gz	MOPDVBLKXXZHIY-UHFFFAOYSA-N	0	1	430.574	2.406	40	70		IEIBMN
COc1ccc(N([C@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1	ZINC000216936615	557163644	/nfs/dbraw/zinc/16/36/44/557163644.db2.gz	SZHXILFDKUWOOZ-QGZVFWFLSA-N	0	1	446.573	2.240	40	70		IEIBMN
Cc1cc(C)cc(N(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1	ZINC000216934672	557163194	/nfs/dbraw/zinc/16/31/94/557163194.db2.gz	JACRUTQWIRARSR-UHFFFAOYSA-N	0	1	430.574	2.460	40	70		IEIBMN
CCc1ccc(N(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1	ZINC000216937605	557163954	/nfs/dbraw/zinc/16/39/54/557163954.db2.gz	AYHGIKKIOZJNDQ-UHFFFAOYSA-N	0	1	430.574	2.406	40	70		IEIBMN
Cc1cccc(N(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1C	ZINC000216936746	557163628	/nfs/dbraw/zinc/16/36/28/557163628.db2.gz	FLVSAJXKCVTEPH-UHFFFAOYSA-N	0	1	430.574	2.460	40	70		IEIBMN
CC(=O)c1cccc(N(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1	ZINC000216939139	557163889	/nfs/dbraw/zinc/16/38/89/557163889.db2.gz	GCYBUSZNMGAZJO-UHFFFAOYSA-N	0	1	444.557	2.046	40	70		IEIBMN
COc1ccc(N([C@@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1	ZINC000216936593	557163441	/nfs/dbraw/zinc/16/34/41/557163441.db2.gz	SZHXILFDKUWOOZ-KRWDZBQOSA-N	0	1	446.573	2.240	40	70		IEIBMN