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+](CCO)(CCO)CCO	2029680	171004295	/nfs/dbraw/zinc/00/42/95/171004295.db2.gz	FVJLCPJDDAGIJE-UHFFFAOYSA-N	1	0	164.225	-1.590	50	5	in-vitro	AABARO
C[N+]1(C[C@@H](O)CO)CCOCC1	5360179	171016839	/nfs/dbraw/zinc/01/68/39/171016839.db2.gz	BXDVNBYEWMOGBG-MRVPVSSYSA-N	1	0	176.236	-1.184	50	5		AABARO
C[N+]1(C[C@H](O)CO)CCOCC1	5360177	171016856	/nfs/dbraw/zinc/01/68/56/171016856.db2.gz	BXDVNBYEWMOGBG-QMMMGPOBSA-N	1	0	176.236	-1.184	50	5		AABARO
O=[N+]([O-])C12CN3CCN(CN(C3)C1)C2	95481287	171136295	/nfs/dbraw/zinc/13/62/95/171136295.db2.gz	CZIMXLPMPOUHFH-UHFFFAOYSA-N	1	0	198.226	-1.136	50	5		AABARO
OCC[N+]12CN3CN(CN(C3)C1)C2	19319647	409315160	/nfs/dbraw/zinc/31/51/60/409315160.db2.gz	SQWGHMPVSMSPNY-UHFFFAOYSA-N	1	0	185.251	-1.513	50	5	in-vitro	AABARO