smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2oc(C3=CC[N@H+](Cc4ccccc4F)CC3)nc2c1	ZINC000216784169	563851939	/nfs/dbraw/zinc/85/19/39/563851939.db2.gz	ARPSTTZTERJNMQ-UHFFFAOYSA-N	1	1	322.383	4.565	40	70		DJIBMO
Cc1ccc2oc(C3=CC[N@@H+](Cc4ccccc4F)CC3)nc2c1	ZINC000216784169	563851942	/nfs/dbraw/zinc/85/19/42/563851942.db2.gz	ARPSTTZTERJNMQ-UHFFFAOYSA-N	1	1	322.383	4.565	40	70		DJIBMO
O=C(C[C@@H]1CCCCC[N@H+]1Cc1ccccc1)c1cccs1	ZINC000217462727	257132123	/nfs/dbraw/zinc/13/21/23/257132123.db2.gz	UNZIUUKCBGJPRM-KRWDZBQOSA-N	1	1	313.466	4.766	40	70		DJIBMO
Cc1ccc2oc(C3=CC[N@@H+](Cc4ccc(F)cc4)CC3)nc2c1	ZINC000216784778	563852071	/nfs/dbraw/zinc/85/20/71/563852071.db2.gz	GDMLUWMQVDIYOW-UHFFFAOYSA-N	1	1	322.383	4.565	40	70		DJIBMO
O=C(C[C@H]1CCCCC[N@H+]1Cc1ccccc1)c1cccs1	ZINC000217462804	257132622	/nfs/dbraw/zinc/13/26/22/257132622.db2.gz	UNZIUUKCBGJPRM-QGZVFWFLSA-N	1	1	313.466	4.766	40	70		DJIBMO
O=C(C[C@H]1CCCCC[N@H+]1Cc1ccccc1)c1ccccc1	ZINC000217463557	257132085	/nfs/dbraw/zinc/13/20/85/257132085.db2.gz	PQXFLNGLFJVHPA-HXUWFJFHSA-N	1	1	307.437	4.704	40	70		DJIBMO
O=C(C[C@@H]1CCCCC[N@H+]1Cc1ccccc1)c1ccccc1	ZINC000217463481	257132510	/nfs/dbraw/zinc/13/25/10/257132510.db2.gz	PQXFLNGLFJVHPA-FQEVSTJZSA-N	1	1	307.437	4.704	40	70		DJIBMO
Cc1ccc2oc(C3=CC[N@@H+](Cc4cccc(F)c4)CC3)nc2c1	ZINC000216785274	563852221	/nfs/dbraw/zinc/85/22/21/563852221.db2.gz	UEEQMNDEEGRELM-UHFFFAOYSA-N	1	1	322.383	4.565	40	70		DJIBMO