smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCO[C@@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1	ZINC000217774653	544490794	/nfs/dbraw/zinc/49/07/94/544490794.db2.gz	IGQIVOVEKWGJGN-GXSJLCMTSA-N	2	0	295.305	-0.025	10	70		CBIERP
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C	ZINC000217489888	220236011	/nfs/dbraw/zinc/23/60/11/220236011.db2.gz	QHMRDHDQHHAVJW-OBJOEFQTSA-N	2	0	296.415	-0.219	10	70		CBIERP
CN1CCO[C@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1	ZINC000217774743	544489648	/nfs/dbraw/zinc/48/96/48/544489648.db2.gz	IGQIVOVEKWGJGN-MWLCHTKSSA-N	2	0	295.305	-0.025	10	70		CBIERP
CN1CCO[C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1	ZINC000217773678	582128058	/nfs/dbraw/zinc/12/80/58/582128058.db2.gz	FWOOBHZUPSRBSP-UTUOFQBUSA-N	2	0	255.362	-0.049	10	70		CBIERP
CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)C1	ZINC000217587791	582128022	/nfs/dbraw/zinc/12/80/22/582128022.db2.gz	CFVZETPYOWQZAN-QJPTWQEYSA-N	2	0	255.362	-0.179	10	70		CBIERP