smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1cc(-c2ccc3c(c2)CCO3)[nH]n1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217988976	568474414	/nfs/dbraw/zinc/47/44/14/568474414.db2.gz	KLVJSZKYELEMLK-WMLDXEAASA-N	0	1	402.454	2.433	40	70		HEIBMN
COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1	ZINC000217018106	568470197	/nfs/dbraw/zinc/47/01/97/568470197.db2.gz	BICXOELFHNCBJW-UHFFFAOYSA-N	0	1	403.504	2.167	40	70		HEIBMN
COc1ccc(C(=O)N2CCN(C)CC2)cc1NS(=O)(=O)c1ccc(F)cc1	ZINC000216844651	568468247	/nfs/dbraw/zinc/46/82/47/568468247.db2.gz	XJGRPAPKVCJMNG-UHFFFAOYSA-N	0	1	407.467	2.023	40	70		HEIBMN
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1NS(C)(=O)=O	ZINC000218394919	568479716	/nfs/dbraw/zinc/47/97/16/568479716.db2.gz	SLDQPSNRWLJLLT-UHFFFAOYSA-N	0	1	408.432	2.114	40	70		HEIBMN
COc1ccc(C(=O)N2CCN(C)CC2)cc1NS(=O)(=O)c1ccc(C)cc1	ZINC000216844551	568468345	/nfs/dbraw/zinc/46/83/45/568468345.db2.gz	FNGNJANEIIKHQZ-UHFFFAOYSA-N	0	1	403.504	2.192	40	70		HEIBMN