smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1	160663309	541310991	/nfs/dbraw/zinc/31/09/91/541310991.db2.gz	NUPYMIJZLDRONJ-RYUDHWBXSA-N	2	0	198.354	2.153	10	70		AEIERP
CC(C)C[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1	160663056	541311007	/nfs/dbraw/zinc/31/10/07/541311007.db2.gz	NUPYMIJZLDRONJ-NWDGAFQWSA-N	2	0	198.354	2.153	10	70		AEIERP
CC(C)C[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1	160662937	541311046	/nfs/dbraw/zinc/31/10/46/541311046.db2.gz	NUPYMIJZLDRONJ-VXGBXAGGSA-N	2	0	198.354	2.153	10	70		AEIERP
CC(C)C[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1	160663172	541311094	/nfs/dbraw/zinc/31/10/94/541311094.db2.gz	NUPYMIJZLDRONJ-NEPJUHHUSA-N	2	0	198.354	2.153	10	70		AEIERP
C[C@@H](CCC[NH3+])[N@@H+]1CC[C@@H](C)C[C@@H]1C	216734508	571934721	/nfs/dbraw/zinc/93/47/21/571934721.db2.gz	IFZNWWACBYMARQ-WOPDTQHZSA-N	2	0	198.354	2.234	10	70		AEIERP
C[NH2+]CC[C@@H](C)[N@@H+]1CC[C@@H](C)C[C@@H]1C	216731292	571934437	/nfs/dbraw/zinc/93/44/37/571934437.db2.gz	ZDRBIJDUJOTANQ-UTUOFQBUSA-N	2	0	198.354	2.105	10	70		AEIERP
C[NH2+]C[C@@H](C)N(C)[C@@H]1CCC[C@@H](C)C1	216750154	572048078	/nfs/dbraw/zinc/04/80/78/572048078.db2.gz	AXLMSBLNTZDBRP-IJLUTSLNSA-N	2	0	198.354	2.105	10	70		AEIERP
CCC[C@H](C)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1	160573080	486976387	/nfs/dbraw/zinc/97/63/87/486976387.db2.gz	VVAVHGPXXQMGDS-TUAOUCFPSA-N	2	0	198.354	2.092	10	70		AEIERP
CC(C)[C@H](C)C[NH2+][C@@H]1CCC[NH2+]CC1	160684388	486977330	/nfs/dbraw/zinc/97/73/30/486977330.db2.gz	CTXGOPNJBOLQLZ-VXGBXAGGSA-N	2	0	198.354	2.010	10	70		AEIERP
CC(C)[C@H](C)C[NH2+][C@H]1CCC[NH2+]CC1	160684661	486977632	/nfs/dbraw/zinc/97/76/32/486977632.db2.gz	CTXGOPNJBOLQLZ-NEPJUHHUSA-N	2	0	198.354	2.010	10	70		AEIERP
CC(C)[C@@H](C)C[NH2+][C@H]1CCC[NH2+]CC1	160684524	486977680	/nfs/dbraw/zinc/97/76/80/486977680.db2.gz	CTXGOPNJBOLQLZ-RYUDHWBXSA-N	2	0	198.354	2.010	10	70		AEIERP
CC(C)[C@@H](C)C[NH2+][C@@H]1CCC[NH2+]CC1	160684253	486977718	/nfs/dbraw/zinc/97/77/18/486977718.db2.gz	CTXGOPNJBOLQLZ-NWDGAFQWSA-N	2	0	198.354	2.010	10	70		AEIERP