smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)CC[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1	ZINC000160566427	261218036	/nfs/dbraw/zinc/21/80/36/261218036.db2.gz	CXMVVTQZXOCHIB-KRWDZBQOSA-N	0	1	297.402	3.518	10	70		CHIEMN
Cc1ccc(C(=O)CCN2CCCC[C@H]2c2cn[nH]c2)cc1	ZINC000160566427	261218038	/nfs/dbraw/zinc/21/80/38/261218038.db2.gz	CXMVVTQZXOCHIB-KRWDZBQOSA-N	0	1	297.402	3.518	10	70		CHIEMN
CC(C)=CC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161146296	328136945	/nfs/dbraw/zinc/13/69/45/328136945.db2.gz	QBJWFOQNQUQZLZ-LSDHHAIUSA-N	0	1	299.336	3.779	10	70		CHIEMN
CC(C)=CCN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161146296	328136946	/nfs/dbraw/zinc/13/69/46/328136946.db2.gz	QBJWFOQNQUQZLZ-LSDHHAIUSA-N	0	1	299.336	3.779	10	70		CHIEMN
CC(C)=CC[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161146174	328136948	/nfs/dbraw/zinc/13/69/48/328136948.db2.gz	QBJWFOQNQUQZLZ-HUUCEWRRSA-N	0	1	299.336	3.779	10	70		CHIEMN
CC(C)=CCN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161146174	328136949	/nfs/dbraw/zinc/13/69/49/328136949.db2.gz	QBJWFOQNQUQZLZ-HUUCEWRRSA-N	0	1	299.336	3.779	10	70		CHIEMN
OCC1(CN[C@H](c2ccco2)c2ccccc2)CCCC1	ZINC000160077067	330858420	/nfs/dbraw/zinc/85/84/20/330858420.db2.gz	PHNLTCGYQXWZKI-KRWDZBQOSA-N	0	1	285.387	3.511	10	70		CHIEMN
Cc1ccc(C(=O)CC[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1	ZINC000160566264	261218290	/nfs/dbraw/zinc/21/82/90/261218290.db2.gz	CXMVVTQZXOCHIB-QGZVFWFLSA-N	0	1	297.402	3.518	10	70		CHIEMN
Cc1ccc(C(=O)CCN2CCCC[C@@H]2c2cn[nH]c2)cc1	ZINC000160566264	261218292	/nfs/dbraw/zinc/21/82/92/261218292.db2.gz	CXMVVTQZXOCHIB-QGZVFWFLSA-N	0	1	297.402	3.518	10	70		CHIEMN
Cc1ccc([C@@H]2CCCCN2Cc2cnc3ccccn23)o1	ZINC000160595879	525801713	/nfs/dbraw/zinc/80/17/13/525801713.db2.gz	TVTKBQKMGGSZOR-INIZCTEOSA-N	0	1	295.386	3.963	10	70		CHIEMN
Cc1ccc([C@H]2CCCCN2Cc2cnc3ccccn23)o1	ZINC000160595995	525995463	/nfs/dbraw/zinc/99/54/63/525995463.db2.gz	TVTKBQKMGGSZOR-MRXNPFEDSA-N	0	1	295.386	3.963	10	70		CHIEMN
c1oc2ccccc2c1CN[C@@H]1COc2ccccc21	ZINC000159823921	330851836	/nfs/dbraw/zinc/85/18/36/330851836.db2.gz	CZJLBJZFAXPLNG-OAHLLOKOSA-N	0	1	265.312	3.656	10	70		CHIEMN
C[C@H](c1ccc(F)cc1F)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000161041166	328119863	/nfs/dbraw/zinc/11/98/63/328119863.db2.gz	FNVHIFXCWJUPDF-PBFPGSCMSA-N	0	1	295.373	3.653	10	70		CHIEMN