smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC(=O)N1C[C@@H](Oc2ccc3ccccc3c2)C[C@H]1C(=O)NCCC[NH2+]CCCC[NH2+]CCCN	ZINC000013606819	561721748	/nfs/dbraw/zinc/72/17/48/561721748.db2.gz	AVVXVEHFZWVQTJ-SVBPBHIXSA-N	2	3	511.711	2.803	1	0		KFAFHP
CNc1nc(N)nc(NCCC[NH2+]CCCCCCCCCCCC[NH2+]CCCNc2nc(N)nc(NC)n2)n1	ZINC000027092883	561837541	/nfs/dbraw/zinc/83/75/41/561837541.db2.gz	WXCGLFIPZPGQEC-UHFFFAOYSA-N	2	3	560.800	2.689	1	0		KFAFHP
CN(C)c1nc(N)nc(NCCC[NH2+]CCCCCCCCCCCC[NH2+]CCCNc2nc(N)nc(N(C)C)n2)n1	ZINC000027098114	561838260	/nfs/dbraw/zinc/83/82/60/561838260.db2.gz	MCMRVBVOEADSFN-UHFFFAOYSA-N	2	3	588.854	2.737	1	0		KFAFHP
CN(C)c1nc(NCCC[NH2+]CCCCCCCCC[NH2+]CCCNc2nc(N(C)C)nc(N(C)C)n2)nc(N(C)C)n1	ZINC000027100198	561838483	/nfs/dbraw/zinc/83/84/83/561838483.db2.gz	WFJPOGRGTXDOMH-UHFFFAOYSA-N	2	3	602.881	2.535	1	0		KFAFHP
Oc1ccc2c3c1O[C@H]1[C@H]([NH2+]CCOCCOCCNCc4ccccc4)CC[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314	ZINC000027998857	561894275	/nfs/dbraw/zinc/89/42/75/561894275.db2.gz	PAGNPCGLDZFUGB-UWSOGJJGSA-N	2	3	563.739	2.738	1	0		KFAFHP
Oc1ccc2c3c1O[C@H]1[C@H]([NH2+]CCOCCOCCNCc4ccccc4)CC[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000027998857	561894274	/nfs/dbraw/zinc/89/42/74/561894274.db2.gz	PAGNPCGLDZFUGB-UWSOGJJGSA-N	2	3	563.739	2.738	1	0		KFAFHP
N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCc1ccccc1	ZINC000071318430	562718517	/nfs/dbraw/zinc/71/85/17/562718517.db2.gz	FSHXZOMORWHEPF-CHQNGUEUSA-N	2	3	586.781	2.767	1	0		KFAFHP
CN(C)CCN1C(=O)c2cc(NC(=O)CC[NH+]3CCCC3)cc3cc(NC(=O)CC[NH+]4CCCC4)cc(c32)C1=O	ZINC000073141731	562733713	/nfs/dbraw/zinc/73/37/13/562733713.db2.gz	SAPJQCXVOOTILK-UHFFFAOYSA-N	2	3	548.688	2.846	1	0		KFAFHP
COc1cc2ccc(C(C)(C)C)nc2c(N[C@@H](C)CCCNC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](N)CCC[NH3+])c1	ZINC000084619957	562745365	/nfs/dbraw/zinc/74/53/65/562745365.db2.gz	JOYOSNOIBGLHEY-VJBMBRPKSA-N	2	3	543.757	2.528	1	0		KFAFHP
COc1cc2ccc(C(C)(C)C)nc2c(N[C@H](C)CCCNC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](N)CCC[NH3+])c1	ZINC000084619959	562745376	/nfs/dbraw/zinc/74/53/76/562745376.db2.gz	JOYOSNOIBGLHEY-OIBXWCBGSA-N	2	3	543.757	2.528	1	0		KFAFHP
COc1cc2ccc(C(C)(C)C)nc2c(N[C@@H](C)CCCNC(=O)[C@@H](CCC[NH3+])NC(=O)[C@H](N)CCC[NH3+])c1	ZINC000084619967	562745400	/nfs/dbraw/zinc/74/54/00/562745400.db2.gz	JOYOSNOIBGLHEY-WWPVKYPJSA-N	2	3	543.757	2.528	1	0		KFAFHP
COc1cc2ccc(C(C)(C)C)nc2c(N[C@H](C)CCCNC(=O)[C@@H](CCC[NH3+])NC(=O)[C@H](N)CCC[NH3+])c1	ZINC000084619970	562745374	/nfs/dbraw/zinc/74/53/74/562745374.db2.gz	JOYOSNOIBGLHEY-UEVCKROQSA-N	2	3	543.757	2.528	1	0		KFAFHP
CC(=O)O[C@H](CCc1ccc(O)c(OC2CC[NH2+]CC2)c1)C[C@@H](O)CC[C@H]1CNC(N)=[NH+]CN2C[C@@H]3C[C@H](C2)[C@@H]2CC[C@H]1CN2C3	ZINC000085628209	565161132	/nfs/dbraw/zinc/16/11/32/565161132.db2.gz	WQINVPDCFSYSRP-XYJJGWHASA-N	2	3	640.870	2.652	1	0	biogenic,in-vitro	KFAFHP
CC(=O)O[C@H](CCc1ccc(O)c(OC2CC[NH2+]CC2)c1)C[C@@H](O)[C@@H]1CC[C@H]2CN3C[C@H]4C[C@H](CN(C4)C[NH+]=C(N)NC[C@H]2C1)C3	ZINC000150348854	565202620	/nfs/dbraw/zinc/20/26/20/565202620.db2.gz	WBWJKOQRZCMFCV-TXJZPABZSA-N	2	3	640.870	2.510	1	0	biogenic,in-vitro	KFAFHP