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+](C)(C)C[C@@H](O)[C@@H]([NH3+])C(=O)[O-]	13543661	571746659	/nfs/dbraw/zinc/74/66/59/571746659.db2.gz	RKNHTGDLNNBLGZ-PHDIDXHHSA-O	1	0	177.224	-1.535	40	5		AABBRO
C[N+](C)(C)C[C@@H](O)[C@H]([NH3+])C(=O)[O-]	13543664	571754177	/nfs/dbraw/zinc/75/41/77/571754177.db2.gz	RKNHTGDLNNBLGZ-RITPCOANSA-O	1	0	177.224	-1.535	40	5		AABBRO
C1O[C@H]1C[N+]12CN3CN(CN(C3)C1)C2	19319582	166110835	/nfs/dbraw/zinc/11/08/35/166110835.db2.gz	IPYYSDJAEHKSQK-VIFPVBQESA-N	1	0	197.262	-1.106	40	5		AABBRO
C1O[C@@H]1C[N+]12CN3CN(CN(C3)C1)C2	19327204	166110850	/nfs/dbraw/zinc/11/08/50/166110850.db2.gz	IPYYSDJAEHKSQK-SECBINFHSA-N	1	0	197.262	-1.106	40	5		AABBRO
C[N+](C)(C)[C@H]1CS(=O)(=O)C[C@H]1O	6184003	171019651	/nfs/dbraw/zinc/01/96/51/171019651.db2.gz	JQYSUGXMNSAYBW-NKWVEPMBSA-N	1	0	194.276	-1.150	40	5		AABBRO
C[N+](C)(C)[C@H]1CS(=O)(=O)C[C@@H]1O	6184001	171019694	/nfs/dbraw/zinc/01/96/94/171019694.db2.gz	JQYSUGXMNSAYBW-BQBZGAKWSA-N	1	0	194.276	-1.150	40	5		AABBRO
C[N+](C)(C)[C@@H]1CS(=O)(=O)C[C@H]1O	6184000	171019745	/nfs/dbraw/zinc/01/97/45/171019745.db2.gz	JQYSUGXMNSAYBW-RNFRBKRXSA-N	1	0	194.276	-1.150	40	5		AABBRO
C[N+](C)(C)[C@@H]1CS(=O)(=O)C[C@@H]1O	6183999	171019835	/nfs/dbraw/zinc/01/98/35/171019835.db2.gz	JQYSUGXMNSAYBW-RQJHMYQMSA-N	1	0	194.276	-1.150	40	5		AABBRO
C[N+](C)(C)C[C@H](O)[C@@H]([NH3+])C(=O)[O-]	2569524	342977632	/nfs/dbraw/zinc/97/76/32/342977632.db2.gz	RKNHTGDLNNBLGZ-NTSWFWBYSA-O	1	0	177.224	-1.535	40	5		AABBRO
OCC[N+](CCO)(CCO)CCO	1718507	351297618	/nfs/dbraw/zinc/29/76/18/351297618.db2.gz	MRKAVJXPGLUQKP-UHFFFAOYSA-N	1	0	194.251	-2.228	40	5		AABBRO
OCC[N+]1(CCO)CCOCC1	1718307	351297718	/nfs/dbraw/zinc/29/77/18/351297718.db2.gz	QYCSIFOXRDUBQZ-UHFFFAOYSA-N	1	0	176.236	-1.182	40	5		AABBRO