smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc2cc3c4ccccc4c4ccccc4c3c[n+]12	ZINC000001019605	567835734	/nfs/dbraw/zinc/83/57/34/567835734.db2.gz	JFLKBOZSRKTXMG-UHFFFAOYSA-N	1	0	294.377	5.193	50	5		CKBARO
c1ccc(CCNc2cc[nH+]c3cc4ccccc4cc23)cc1	ZINC000001233350	567836506	/nfs/dbraw/zinc/83/65/06/567836506.db2.gz	MRCKFNLDQYXIPD-UHFFFAOYSA-N	1	0	298.389	5.043	50	5		CKBARO
CC[N+](C)(CC)CC[C@@H](c1ccccc1)C1CCCCC1	ZINC000001246596	567836684	/nfs/dbraw/zinc/83/66/84/567836684.db2.gz	IPASUAYDNZLYOE-FQEVSTJZSA-N	1	0	288.499	5.227	50	5		CKBARO
CC[N+](C)(CC)CC[C@H](c1ccccc1)C1CCCCC1	ZINC000001246597	567836928	/nfs/dbraw/zinc/83/69/28/567836928.db2.gz	IPASUAYDNZLYOE-HXUWFJFHSA-N	1	0	288.499	5.227	50	5		CKBARO
CCCC[N+](CCCC)(CCCC)Cc1ccccc1	ZINC000001559981	567838073	/nfs/dbraw/zinc/83/80/73/567838073.db2.gz	QSRFYFHZPSGRQX-UHFFFAOYSA-N	1	0	276.488	5.404	50	5		CKBARO
CCCC[N+]1(CCCC)Cc2cc3ccccc3cc2C1	ZINC000001902930	566971375	/nfs/dbraw/zinc/97/13/75/566971375.db2.gz	YHEVKPWXYXQURS-UHFFFAOYSA-N	1	0	282.451	5.270	50	5		CKBARO
CC[N+]1(CC)Cc2cc3c4ccccc4ccc3c(C)c2C1	ZINC000002294711	570385786	/nfs/dbraw/zinc/38/57/86/570385786.db2.gz	XOINRDAGOPGXFP-UHFFFAOYSA-N	1	0	290.430	5.172	50	5		CKBARO
c1ccc2c(c1)cc1ccccc1c2Nc1cc[nH+]cc1	ZINC000003145132	567938500	/nfs/dbraw/zinc/93/85/00/567938500.db2.gz	WFTXUYRIMPZEDZ-UHFFFAOYSA-N	1	0	270.335	5.132	50	5		CKBARO
CCCCC[N+](CCCCC)(CCCCC)CCCCC	ZINC000003861692	567854257	/nfs/dbraw/zinc/85/42/57/567854257.db2.gz	GJSGYPDDPQRWPK-UHFFFAOYSA-N	1	0	298.579	6.564	50	5	in-vitro	CKBARO
Cc1ccc2nc3c4ccccc4ccc3c(C)c2c1	ZINC000004520919	567857669	/nfs/dbraw/zinc/85/76/69/567857669.db2.gz	HEFJMRLDXHSXEP-UHFFFAOYSA-N	1	0	257.336	5.158	50	5		CKBARO
Cc1ccc2c(C)c3ccc4ccccc4c3nc2c1	ZINC000004520920	567857649	/nfs/dbraw/zinc/85/76/49/567857649.db2.gz	RCWNHXIFXQTICS-UHFFFAOYSA-N	1	0	257.336	5.158	50	5		CKBARO
CCCCC[N+](CCCC)(CCCC)CCCC	ZINC000004760136	170012800	/nfs/dbraw/zinc/01/28/00/170012800.db2.gz	YDZKVIKDXBFPMW-UHFFFAOYSA-N	1	0	256.498	5.394	50	5		CKBARO
CC[N+](C)(CC)CCCC(c1ccccc1)c1ccccc1	ZINC000006542361	170211666	/nfs/dbraw/zinc/21/16/66/170211666.db2.gz	OANGFDVARIUMEC-UHFFFAOYSA-N	1	0	296.478	5.085	50	5		CKBARO