smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCC[C@H]1C(C)=CC(C)=C(C)[C@]1(C)C[N+](C)(C)C	ZINC000001664099	567840479	/nfs/dbraw/zinc/84/04/79/567840479.db2.gz	YHARTCMXPGTOKK-OALUTQOASA-N	1	0	278.504	5.192	40	5		CKBBRO
CCCCC[C@@H]1C(C)=CC(C)=C(C)[C@]1(C)C[N+](C)(C)C	ZINC000001664100	567840309	/nfs/dbraw/zinc/84/03/09/567840309.db2.gz	YHARTCMXPGTOKK-MOPGFXCFSA-N	1	0	278.504	5.192	40	5		CKBBRO
CCCCC[C@H]1C(C)=CC(C)=C(C)[C@@]1(C)C[N+](C)(C)C	ZINC000001664101	567840425	/nfs/dbraw/zinc/84/04/25/567840425.db2.gz	YHARTCMXPGTOKK-RBUKOAKNSA-N	1	0	278.504	5.192	40	5		CKBBRO
CCCCC[C@@H]1C(C)=CC(C)=C(C)[C@@]1(C)C[N+](C)(C)C	ZINC000001664102	567840294	/nfs/dbraw/zinc/84/02/94/567840294.db2.gz	YHARTCMXPGTOKK-RTBURBONSA-N	1	0	278.504	5.192	40	5		CKBBRO
CCCC[N+](C)(CC(C)C)C1CCCCCCC1	ZINC000001707473	567842027	/nfs/dbraw/zinc/84/20/27/567842027.db2.gz	JXXCGQKEQRGCOG-UHFFFAOYSA-N	1	0	254.482	5.002	40	5		CKBBRO
CCCCC(CCCC)(CCCC)CC[N+](C)(C)C	ZINC000001707991	567841997	/nfs/dbraw/zinc/84/19/97/567841997.db2.gz	QDXGDVCPVZXEAZ-UHFFFAOYSA-N	1	0	270.525	5.640	40	5		CKBBRO
CC(C)CC[N+](CCC(C)C)(CCC(C)C)CCC(C)C	ZINC000001871188	169761946	/nfs/dbraw/zinc/76/19/46/169761946.db2.gz	VPYHKSUKMGPRIN-UHFFFAOYSA-N	1	0	298.579	5.988	40	5		CKBBRO
c1ccc2c(c1)ccc1cc3c(cc12)C[N+]1(C3)CCCCC1	ZINC000004610677	184532015	/nfs/dbraw/zinc/53/20/15/184532015.db2.gz	NVRVCQXZYYLAAR-UHFFFAOYSA-N	1	0	288.414	5.007	40	5		CKBBRO
CC(C)=CC[N+]1(Cc2cccc3ccccc32)CCCCC1	ZINC000005290887	567946528	/nfs/dbraw/zinc/94/65/28/567946528.db2.gz	FXLUIYKTAKSNLJ-UHFFFAOYSA-N	1	0	294.462	5.307	40	5		CKBBRO
C[C@@H](c1ccccc1)[N+]1(C)SC(=S)C2=C1CCCC2	ZINC000005515708	170106941	/nfs/dbraw/zinc/10/69/41/170106941.db2.gz	CQBDXYYWYKHWPD-WHUIICBVSA-N	1	0	290.477	5.012	40	5		CKBBRO
C[C@H](c1ccccc1)[N+]1(C)SC(=S)C2=C1CCCC2	ZINC000005532978	170109783	/nfs/dbraw/zinc/10/97/83/170109783.db2.gz	CQBDXYYWYKHWPD-MTATWXBHSA-N	1	0	290.477	5.012	40	5		CKBBRO
C[N+](C)(C[Si](C)(C)C)C1CCCCCCCCCCC1	ZINC000195793158	570380881	/nfs/dbraw/zinc/38/08/81/570380881.db2.gz	NKLRDTMLEHECBR-UHFFFAOYSA-N	1	0	298.611	5.614	40	5		CKBBRO
C[C@H](c1ccccc1)[N@+]1(C)SC(=S)C2=C1CCCC2	ZINC000254401260	334472805	/nfs/dbraw/zinc/47/28/05/334472805.db2.gz	CQBDXYYWYKHWPD-PXAZEXFGSA-N	1	0	290.477	5.012	40	5		CKBBRO
C[C@@H](c1ccccc1)[N@+]1(C)SC(=S)C2=C1CCCC2	ZINC000254401265	334472919	/nfs/dbraw/zinc/47/29/19/334472919.db2.gz	CQBDXYYWYKHWPD-SJCJKPOMSA-N	1	0	290.477	5.012	40	5		CKBBRO
C[C@H](c1ccccc1)[N@@+]1(C)SC(=S)C2=C1CCCC2	ZINC000254401269	334473020	/nfs/dbraw/zinc/47/30/20/334473020.db2.gz	CQBDXYYWYKHWPD-SJKOYZFVSA-N	1	0	290.477	5.012	40	5		CKBBRO
C[C@@H](c1ccccc1)[N@@+]1(C)SC(=S)C2=C1CCCC2	ZINC000254401273	334472813	/nfs/dbraw/zinc/47/28/13/334472813.db2.gz	CQBDXYYWYKHWPD-YVEFUNNKSA-N	1	0	290.477	5.012	40	5		CKBBRO