smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(C)c1ccc(Cc2ccc([NH+](CC)CC)cc2)cc1	ZINC000005311367	170085023	/nfs/dbraw/zinc/08/50/23/170085023.db2.gz	MHIDNIYVXQGKCH-UHFFFAOYSA-N	1	2	296.458	4.580	10	10		CJCELO
CC[NH+](CC)c1ccc([C@@H](C)c2ccc(N(C)C)cc2)cc1	ZINC000005311813	170085333	/nfs/dbraw/zinc/08/53/33/170085333.db2.gz	DKQKXFGLOAFOGL-INIZCTEOSA-N	1	2	296.458	4.751	10	10		CJCELO
CC[NH+](CC)c1ccc([C@H](C)c2ccc(N(C)C)cc2)cc1	ZINC000005311833	170085123	/nfs/dbraw/zinc/08/51/23/170085123.db2.gz	DKQKXFGLOAFOGL-MRXNPFEDSA-N	1	2	296.458	4.751	10	10		CJCELO
CC(C)CC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1O	ZINC000021509353	171309070	/nfs/dbraw/zinc/30/90/70/171309070.db2.gz	VPVWJJSVBXMLMU-SNVBAGLBSA-N	1	2	290.234	4.613	10	10		CJCELO
CC(C)CC[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1O	ZINC000021509355	171309180	/nfs/dbraw/zinc/30/91/80/171309180.db2.gz	VPVWJJSVBXMLMU-JTQLQIEISA-N	1	2	290.234	4.613	10	10		CJCELO
Cc1cc2c(Nc3ccc(N)cc3)cc[nH+]c2cc1Cl	ZINC000072237444	176346311	/nfs/dbraw/zinc/34/63/11/176346311.db2.gz	PTEVGSISYCBZMW-UHFFFAOYSA-N	1	2	283.762	4.522	10	10		CJCELO