smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+]1(C2CCC([N+]3(C)CCCC3)CC2)CCCC1	ZINC000606422315	351267659	/nfs/dbraw/zinc/26/76/59/351267659.db2.gz	KBMIGLJFEFVIEM-UHFFFAOYSA-N	2	0	252.446	2.778	50	5		CFBARP
C[N@@H+]1CCCC12CCN(Cc1ccccc1[N+](=O)[O-])CC2	ZINC000253417626	383457698	/nfs/dbraw/zinc/45/76/98/383457698.db2.gz	NIKVLMFNLQIMOE-UHFFFAOYSA-N	2	0	289.379	2.655	50	5		CFBARP
CC(C)Oc1ccc(C[N+](C)(C)C)cc1C[N+](C)(C)C	ZINC000000487549	371629957	/nfs/dbraw/zinc/62/99/57/371629957.db2.gz	BCHCWLBRERHZRS-UHFFFAOYSA-N	2	0	280.456	2.886	50	5		CFBARP
C[NH+](C)CC1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000095432570	184982870	/nfs/dbraw/zinc/98/28/70/184982870.db2.gz	JUDNTDKJAWXXQZ-UHFFFAOYSA-N	2	0	291.395	2.805	50	5		CFBARP
CCCOc1ccc(C[N+](C)(C)C)cc1C[N+](C)(C)C	ZINC000005191725	170075514	/nfs/dbraw/zinc/07/55/14/170075514.db2.gz	ZMMLZFCWQRHYTM-UHFFFAOYSA-N	2	0	280.456	2.888	50	5		CFBARP
C[N+](C)(CC[N+](C)(C)Cc1ccco1)Cc1ccco1	ZINC000670425655	540989420	/nfs/dbraw/zinc/98/94/20/540989420.db2.gz	BFILQUQREGPBPR-UHFFFAOYSA-N	2	0	278.396	2.726	50	5		CFBARP
C[N+]1(C2CC[N+](C)(C3CCCC3)CC2)CCCC1	ZINC000825093296	717191729	/nfs/dbraw/zinc/19/17/29/717191729.db2.gz	VIHARTSTIDESDO-UHFFFAOYSA-N	2	0	252.446	2.778	50	5		CFBARP
CC1(C)[C@H]2CC[C@]1(C)C[N@@+](C)(CCC[N+](C)(C)C)C2	ZINC000239306249	281540999	/nfs/dbraw/zinc/54/09/99/281540999.db2.gz	GPUGLFZXYGTLBI-WDYCEAGBSA-N	2	0	268.489	2.985	50	5		CFBARP
Cc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000093088849	375184954	/nfs/dbraw/zinc/18/49/54/375184954.db2.gz	KMGMHXCOXZZZSX-UHFFFAOYSA-N	2	0	291.395	2.677	50	5		CFBARP
CC1(C)[C@H]2CC[C@]1(C)C[N@+](C)(CCC[N+](C)(C)C)C2	ZINC000239306248	382981181	/nfs/dbraw/zinc/98/11/81/382981181.db2.gz	GPUGLFZXYGTLBI-KVSKMBFKSA-N	2	0	268.489	2.985	50	5		CFBARP
C[N+]1(C2CCCC2)CC[N+](C)(C2CCCC2)CC1	ZINC000825093284	717191619	/nfs/dbraw/zinc/19/16/19/717191619.db2.gz	IATKGLLYMJYBCP-UHFFFAOYSA-N	2	0	252.446	2.778	50	5		CFBARP
Cc1cc(C[N+](C)(C)C)c(C)cc1C[N+](C)(C)C	ZINC000000390935	169627812	/nfs/dbraw/zinc/62/78/12/169627812.db2.gz	UWUKKQROGUENJY-UHFFFAOYSA-N	2	0	250.430	2.716	50	5		CFBARP