smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC000013529560	181067859	/nfs/dbraw/zinc/06/78/59/181067859.db2.gz	RVIRSPCRFRPYII-MNOVXSKESA-N	2	0	238.335	0.347	1	30		BCEFRP
N#C[C@H]1CCCCN1C(=O)[C@H]([NH3+])CCCC[NH3+]	ZINC000027557518	181067226	/nfs/dbraw/zinc/06/72/26/181067226.db2.gz	RVIRSPCRFRPYII-GHMZBOCLSA-N	2	0	238.335	0.347	1	30		BCEFRP
C[NH+](C)C[C@H]1CC[C@@H](C[NH+](C)C)C1=NO	ZINC000005808807	172488336	/nfs/dbraw/zinc/48/83/36/172488336.db2.gz	WFBVFGTWSMLNQJ-AOOOYVTPSA-N	2	0	213.325	0.966	1	30		BCEFRP
N#C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC000013529563	181059049	/nfs/dbraw/zinc/05/90/49/181059049.db2.gz	RVIRSPCRFRPYII-QWRGUYRKSA-N	2	0	238.335	0.347	1	30		BCEFRP
C[C@]12CCC(N=NC(N)=[NH2+])=CC1CC[C@@H]2C[NH3+]	ZINC000028767105	177482192	/nfs/dbraw/zinc/48/21/92/177482192.db2.gz	NOEOVSVZJUAWEN-AZJLONRZSA-N	2	0	235.335	0.711	1	30		BCEFRP
Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)NC[NH3+]	ZINC000028130980	178199537	/nfs/dbraw/zinc/19/95/37/178199537.db2.gz	LUHXSUYCFDSMSW-NSHDSACASA-N	2	0	237.303	0.752	1	30		BCEFRP
C[NH+](C)C[C@H]1CC[C@H](C[NH+](C)C)C1=NO	ZINC000005808809	172496979	/nfs/dbraw/zinc/49/69/79/172496979.db2.gz	WFBVFGTWSMLNQJ-NXEZZACHSA-N	2	0	213.325	0.966	1	30		BCEFRP
N#C[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CCCC[NH3+]	ZINC000027557520	181058276	/nfs/dbraw/zinc/05/82/76/181058276.db2.gz	RVIRSPCRFRPYII-WDEREUQCSA-N	2	0	238.335	0.347	1	30		BCEFRP
CC[N+](C)(CC)CC[n+]1ccn(C)c1C=NO	ZINC000028771084	717115877	/nfs/dbraw/zinc/11/58/77/717115877.db2.gz	IKYDUNHBQGIJSC-UHFFFAOYSA-O	2	0	240.351	0.607	1	30		BCEFRP