smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCc1ccc(NC(=O)CC2CCN(C)CC2)cc1	ZINC000216895692	570306856	/nfs/dbraw/zinc/30/68/56/570306856.db2.gz	YLEYDVZNJCSTPX-UHFFFAOYSA-N	0	3	288.435	3.700	40	70		CHIBHN
CN1CC=C(c2nc3c(ccc4ccccc34)o2)CC1	ZINC000216763339	570346174	/nfs/dbraw/zinc/34/61/74/570346174.db2.gz	WTUBLFOHCDLCNV-UHFFFAOYSA-N	0	3	264.328	3.700	40	70		CHIBHN
CN1CCC(CC(=O)Nc2ccc3ccccc3c2)CC1	ZINC000216892532	189706811	/nfs/dbraw/zinc/70/68/11/189706811.db2.gz	NGQGFCJUHDCECN-UHFFFAOYSA-N	0	3	282.387	3.510	40	70		CHIBHN
O[C@@H]1[C@@H]2CCC[C@H]1[C@@H](c1ccccc1)N[C@@H]2c1ccccc1	ZINC000217350756	570307536	/nfs/dbraw/zinc/30/75/36/570307536.db2.gz	USAKVYHRWZXKIZ-USYVTKNRSA-N	0	3	293.410	3.849	40	70		CHIBHN
C[C@H](C(=O)c1c[nH]c2ccccc12)N1C[C@@H](C)C[C@H](C)C1	ZINC000217466257	570307935	/nfs/dbraw/zinc/30/79/35/570307935.db2.gz	BMYNOEXNAKSRKS-MELADBBJSA-N	0	3	284.403	3.717	40	70		CHIBHN
CCN1CCCCC[C@@H]1CC(=O)c1cccs1	ZINC000217462933	567169999	/nfs/dbraw/zinc/16/99/99/567169999.db2.gz	STBIQZLGLGDTHB-GFCCVEGCSA-N	0	3	251.395	3.585	40	70		CHIBHN
Cc1cccc(C(C)C)c1NC(=O)CC1CCN(C)CC1	ZINC000216895432	570306754	/nfs/dbraw/zinc/30/67/54/570306754.db2.gz	PGJOTDKJMPGSCA-UHFFFAOYSA-N	0	3	288.435	3.789	40	70		CHIBHN
CCN1CCCCC[C@H]1CC(=O)c1cccs1	ZINC000217463019	567170078	/nfs/dbraw/zinc/17/00/78/567170078.db2.gz	STBIQZLGLGDTHB-LBPRGKRZSA-N	0	3	251.395	3.585	40	70		CHIBHN