smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@H+](Cc1ccncc1)Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1	ZINC000012319721	568468134	/nfs/dbraw/zinc/46/81/34/568468134.db2.gz	IUVLYLVZJFNKGI-XMMPIXPASA-N	2	0	411.590	4.108	10	0		HIAERP
COc1ccccc1C[N@@H+]1CCC[C@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1	ZINC000012099977	560888979	/nfs/dbraw/zinc/88/89/79/560888979.db2.gz	KEQJSVXGOSHMCG-IBGZPJMESA-N	2	0	412.603	4.053	10	0		HIAERP
COc1ccccc1C[N@@H+]1CCC[C@@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1	ZINC000012099976	569399664	/nfs/dbraw/zinc/39/96/64/569399664.db2.gz	KEQJSVXGOSHMCG-LJQANCHMSA-N	2	0	412.603	4.053	10	0		HIAERP
CCN(CC)c1ccc(/C=C\C=C/c2cc[n+](CCC[N+](C)(C)CCO)cc2)cc1	ZINC000006661935	717104196	/nfs/dbraw/zinc/10/41/96/717104196.db2.gz	GUXGVLIAUOWPNU-UHFFFAOYSA-N	2	0	409.618	4.006	10	0		HIAERP
CC[N@H+](Cc1ccncc1)Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1	ZINC000012319720	568468167	/nfs/dbraw/zinc/46/81/67/568468167.db2.gz	IUVLYLVZJFNKGI-DEOSSOPVSA-N	2	0	411.590	4.108	10	0		HIAERP
COc1ccccc1CC[NH+]1CCC(C[N@H+](C)Cc2ccc(O)c(Cl)c2)CC1	ZINC000014976125	558689317	/nfs/dbraw/zinc/68/93/17/558689317.db2.gz	AWAFSHRMBBSJFY-UHFFFAOYSA-N	2	0	402.966	4.441	10	0		HIAERP