smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[N+]1(CCC)CCCCCC1	114400658	674078088	/nfs/dbraw/zinc/07/80/88/674078088.db2.gz	MGBXFXKLUBSNRP-UHFFFAOYSA-N	1	0	184.347	3.197	50	5		AGBARO
CC1(C)C=Cc2ccccc2[N+]1(C)C	3123704	166668011	/nfs/dbraw/zinc/66/80/11/166668011.db2.gz	QCTNQORQQGZDIE-UHFFFAOYSA-N	1	0	188.294	3.059	50	5		AGBARO
CCC[N+](CCC)(CCC)CCC	1669523	167097618	/nfs/dbraw/zinc/09/76/18/167097618.db2.gz	OSBSFAARYOCBHB-UHFFFAOYSA-N	1	0	186.363	3.443	50	5	in-vitro	AGBARO
CCC[N+](CC)(CCC)CCC	1632458	167097793	/nfs/dbraw/zinc/09/77/93/167097793.db2.gz	FRNYKUYJIUPPPW-UHFFFAOYSA-N	1	0	172.336	3.053	50	5	in-vitro	AGBARO
CC[N+](CC)(CC)Cc1ccccc1	1496993	167713317	/nfs/dbraw/zinc/71/33/17/167713317.db2.gz	VBQDSLGFSUGBBE-UHFFFAOYSA-N	1	0	192.326	3.063	50	5	in-vitro	AGBARO
C[C@@H]1C[N+]2(C)C(C)(C)CC1CC2(C)C	72434029	168481256	/nfs/dbraw/zinc/48/12/56/168481256.db2.gz	OPZLFPBWFOWTPA-CDWSIMAYSA-N	1	0	196.358	3.050	50	5		AGBARO
C[C@H]1C[N+]2(C)C(C)(C)CC1CC2(C)C	72434030	168666162	/nfs/dbraw/zinc/66/61/62/168666162.db2.gz	OPZLFPBWFOWTPA-IFQILLTASA-N	1	0	196.358	3.050	50	5		AGBARO
C[N+](C)(C)c1cccc2ccccc12	3200691	171120515	/nfs/dbraw/zinc/12/05/15/171120515.db2.gz	DOKTZMKBGPRAPB-UHFFFAOYSA-N	1	0	186.278	3.037	50	5		AGBARO
CC[N+](CC)(CC)c1ccccc1	1627272	342953004	/nfs/dbraw/zinc/95/30/04/342953004.db2.gz	JJPVWQWOOQYHCB-UHFFFAOYSA-N	1	0	178.299	3.054	50	5	in-vitro	AGBARO
CCCCCC[C@H](C)[N+](C)(C)C	1765116	342964528	/nfs/dbraw/zinc/96/45/28/342964528.db2.gz	PFTCZVOTBZHHCK-NSHDSACASA-N	1	0	172.336	3.052	50	5		AGBARO
CC[N+](CC)(CC)C1CCCCC1	2156515	342970008	/nfs/dbraw/zinc/97/00/08/342970008.db2.gz	BDMOUAQPRGTJKW-UHFFFAOYSA-N	1	0	184.347	3.196	50	5		AGBARO
CCCCCC[N+](CC)(CC)CC	2504722	342972572	/nfs/dbraw/zinc/97/25/72/342972572.db2.gz	GCRCSLNXFKCFHB-UHFFFAOYSA-N	1	0	186.363	3.443	50	5		AGBARO
CCCCCC[C@@H](C)[N+](C)(C)C	3199939	342981764	/nfs/dbraw/zinc/98/17/64/342981764.db2.gz	PFTCZVOTBZHHCK-LLVKDONJSA-N	1	0	172.336	3.052	50	5		AGBARO
CCCC[N+]1(CCCC)CCCC1	114670808	343763857	/nfs/dbraw/zinc/76/38/57/343763857.db2.gz	QIAZNDAYSCULMI-UHFFFAOYSA-N	1	0	184.347	3.197	50	5		AGBARO