smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCOc1ccc(C(=O)NCCC[N@H+](C)CCC[NH+](C)Cc2ccccc2)cc1	ZINC000020555594	520335941	/nfs/dbraw/zinc/33/59/41/520335941.db2.gz	AIYVPSRBXIKXAN-UHFFFAOYSA-N	2	1	411.590	4.049	10	0		HIAEMP
CCCOc1ccc(C(=O)NCCC[N@@H+](C)CCC[NH+](C)Cc2ccccc2)cc1	ZINC000020555594	520335950	/nfs/dbraw/zinc/33/59/50/520335950.db2.gz	AIYVPSRBXIKXAN-UHFFFAOYSA-N	2	1	411.590	4.049	10	0		HIAEMP
CCCOc1ccc(C(=O)NCCC[NH+](C)CCC[N@H+](C)Cc2ccccc2)cc1	ZINC000020555594	520335956	/nfs/dbraw/zinc/33/59/56/520335956.db2.gz	AIYVPSRBXIKXAN-UHFFFAOYSA-N	2	1	411.590	4.049	10	0		HIAEMP
CCCOc1ccc(C(=O)NCCC[NH+](C)CCC[N@@H+](C)Cc2ccccc2)cc1	ZINC000020555594	520335960	/nfs/dbraw/zinc/33/59/60/520335960.db2.gz	AIYVPSRBXIKXAN-UHFFFAOYSA-N	2	1	411.590	4.049	10	0		HIAEMP
CC[N@@H+](Cc1ccncc1)Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1	ZINC000012319721	568468135	/nfs/dbraw/zinc/46/81/35/568468135.db2.gz	IUVLYLVZJFNKGI-XMMPIXPASA-N	2	1	411.590	4.108	10	0		HIAEMP
CC[NH+](Cc1ccncc1)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1	ZINC000012319721	568468136	/nfs/dbraw/zinc/46/81/36/568468136.db2.gz	IUVLYLVZJFNKGI-XMMPIXPASA-N	2	1	411.590	4.108	10	0		HIAEMP
CC[NH+](Cc1ccncc1)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1	ZINC000012319721	568468137	/nfs/dbraw/zinc/46/81/37/568468137.db2.gz	IUVLYLVZJFNKGI-XMMPIXPASA-N	2	1	411.590	4.108	10	0		HIAEMP
COc1ccccc1C[N@H+]1CCC[C@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1	ZINC000012099977	560888981	/nfs/dbraw/zinc/88/89/81/560888981.db2.gz	KEQJSVXGOSHMCG-IBGZPJMESA-N	2	1	412.603	4.053	10	0		HIAEMP
COc1ccccc1C[N@H+]1CCC[C@@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1	ZINC000012099976	569399667	/nfs/dbraw/zinc/39/96/67/569399667.db2.gz	KEQJSVXGOSHMCG-LJQANCHMSA-N	2	1	412.603	4.053	10	0		HIAEMP
CC[N@@H+](Cc1ccncc1)Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1	ZINC000012319720	568468168	/nfs/dbraw/zinc/46/81/68/568468168.db2.gz	IUVLYLVZJFNKGI-DEOSSOPVSA-N	2	1	411.590	4.108	10	0		HIAEMP
CC[NH+](Cc1ccncc1)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1	ZINC000012319720	568468169	/nfs/dbraw/zinc/46/81/69/568468169.db2.gz	IUVLYLVZJFNKGI-DEOSSOPVSA-N	2	1	411.590	4.108	10	0		HIAEMP
CC[NH+](Cc1ccncc1)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1	ZINC000012319720	568468170	/nfs/dbraw/zinc/46/81/70/568468170.db2.gz	IUVLYLVZJFNKGI-DEOSSOPVSA-N	2	1	411.590	4.108	10	0		HIAEMP
CCC(CC)C[N@@H+]1CCOc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2C1	ZINC000012098622	132353951	/nfs/dbraw/zinc/35/39/51/132353951.db2.gz	JCLJQARKKLRVKI-UHFFFAOYSA-N	2	1	408.590	4.034	10	0		HIAEMP
CCC(CC)C[N@H+]1CCOc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2C1	ZINC000012098622	132353952	/nfs/dbraw/zinc/35/39/52/132353952.db2.gz	JCLJQARKKLRVKI-UHFFFAOYSA-N	2	1	408.590	4.034	10	0		HIAEMP
COc1ccccc1CC[NH+]1CCC(C[N@@H+](C)Cc2ccc(O)c(Cl)c2)CC1	ZINC000014976125	558689318	/nfs/dbraw/zinc/68/93/18/558689318.db2.gz	AWAFSHRMBBSJFY-UHFFFAOYSA-N	2	1	402.966	4.441	10	0		HIAEMP