smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)Cc1ccccc1CNc1ccnc2ccccc21	ZINC000045357839	175362114	/nfs/dbraw/zinc/36/21/14/175362114.db2.gz	KBHQFYNZRDARMU-UHFFFAOYSA-N	1	3	291.398	3.909	1	0		CHAFHO
Cc1c[n+](CCN)ccc1/C=C/c1cccc2ccccc12	ZINC000006069493	170173807	/nfs/dbraw/zinc/17/38/07/170173807.db2.gz	JWKFQNPSDKNHOB-MDZDMXLPSA-N	1	3	289.402	3.565	1	0		CHAFHO
C[NH+](C)CCCNc1c2ccccc2nc2c1CCCCC2	ZINC000005419316	170097092	/nfs/dbraw/zinc/09/70/92/170097092.db2.gz	MSNSHZJXNNLNOS-UHFFFAOYSA-N	1	3	297.446	3.867	1	0		CHAFHO
Cc1ccc2c(c1C)CN(CCC[NH3+])C[C@H]2c1ccccc1	ZINC000038156051	174134454	/nfs/dbraw/zinc/13/44/54/174134454.db2.gz	FCNHTDRCOYRUFC-FQEVSTJZSA-N	1	3	294.442	3.600	1	0		CHAFHO
Cc1ccc2c(c1C)CN(CCC[NH3+])C[C@@H]2c1ccccc1	ZINC000038156050	174134644	/nfs/dbraw/zinc/13/46/44/174134644.db2.gz	FCNHTDRCOYRUFC-HXUWFJFHSA-N	1	3	294.442	3.600	1	0		CHAFHO
c1ccc2c(c1)nc1c(c2NCC[NH+]2CCCCC2)CCC1	ZINC000006738749	170236786	/nfs/dbraw/zinc/23/67/86/170236786.db2.gz	RYEHKHMHYUOZLN-UHFFFAOYSA-N	1	3	295.430	3.621	1	0		CHAFHO
CC1(C)C=C(CNC23CC4CC(CC(C4)C2)C3)C(C)(C)[NH2+]1	ZINC000027102836	171507543	/nfs/dbraw/zinc/50/75/43/171507543.db2.gz	VYJAYCUBKKBODQ-UHFFFAOYSA-N	1	3	288.479	3.632	1	0		CHAFHO