smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]([NH2+]CC[NH+]1CCCC1)[C@H](O)c1ccc(O)c(O)c1	ZINC000019366105	356482401	/nfs/dbraw/zinc/48/24/01/356482401.db2.gz	AGOCJJVCWGCOLV-NHYWBVRUSA-N	2	2	280.368	1.205	40	10		CDCBLP
C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3O)CCN2C(C)(C)C1	ZINC000253406914	373700002	/nfs/dbraw/zinc/70/00/02/373700002.db2.gz	VGDDWBSJXDMIFW-OAHLLOKOSA-N	2	2	289.423	1.602	40	10	biogenic,in-vitro	CDCBLP
C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3O)CCN2C(C)(C)C1	ZINC000253406914	373700009	/nfs/dbraw/zinc/70/00/09/373700009.db2.gz	VGDDWBSJXDMIFW-OAHLLOKOSA-N	2	2	289.423	1.602	40	10	biogenic,in-vitro	CDCBLP
C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3O)CCN2C(C)(C)C1	ZINC000253406914	373700017	/nfs/dbraw/zinc/70/00/17/373700017.db2.gz	VGDDWBSJXDMIFW-OAHLLOKOSA-N	2	2	289.423	1.602	40	10	biogenic,in-vitro	CDCBLP
C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3O)CCN2C(C)(C)C1	ZINC000253406914	373700024	/nfs/dbraw/zinc/70/00/24/373700024.db2.gz	VGDDWBSJXDMIFW-OAHLLOKOSA-N	2	2	289.423	1.602	40	10	biogenic,in-vitro	CDCBLP
C[C@@H]([NH2+]CC[NH+]1CCCC1)[C@H](O)c1ccc(O)c(O)c1	ZINC000019366106	356483372	/nfs/dbraw/zinc/48/33/72/356483372.db2.gz	AGOCJJVCWGCOLV-ABAIWWIYSA-N	2	2	280.368	1.205	40	10		CDCBLP
CCN(CC)c1ccc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc1	ZINC000022074877	171351964	/nfs/dbraw/zinc/35/19/64/171351964.db2.gz	PHPNXUTYWFDJON-CQSZACIVSA-N	2	2	279.428	1.593	40	10		CDCBLP
C[C@@H]([NH2+]CC[NH+]1CCCC1)[C@@H](O)c1ccc(O)c(O)c1	ZINC000019366109	356483342	/nfs/dbraw/zinc/48/33/42/356483342.db2.gz	AGOCJJVCWGCOLV-IAQYHMDHSA-N	2	2	280.368	1.205	40	10		CDCBLP
CCN(CC)c1ccc(C[NH2+]CC[NH2+]C[C@H](C)O)cc1	ZINC000022074879	262344280	/nfs/dbraw/zinc/34/42/80/262344280.db2.gz	PHPNXUTYWFDJON-AWEZNQCLSA-N	2	2	279.428	1.593	40	10		CDCBLP
C[C@H]([NH2+]CC[NH+]1CCCC1)[C@@H](O)c1ccc(O)c(O)c1	ZINC000019366108	356483215	/nfs/dbraw/zinc/48/32/15/356483215.db2.gz	AGOCJJVCWGCOLV-XHDPSFHLSA-N	2	2	280.368	1.205	40	10		CDCBLP
COc1ccc(N2CC[NH+](C3CC[NH2+]CC3)CC2)cc1	ZINC000013534092	366477184	/nfs/dbraw/zinc/47/71/84/366477184.db2.gz	OXNSCRNFYBZISX-UHFFFAOYSA-N	2	2	275.396	1.569	40	10		CDCBLP
C[NH+](C)Cc1cc(C[NH3+])cc(Br)c1O	ZINC000225723471	333182287	/nfs/dbraw/zinc/18/22/87/333182287.db2.gz	SGBCMVGIXYQMIH-UHFFFAOYSA-N	2	2	259.147	1.675	40	10		CDCBLP
COC(=O)c1cc(C[NH+](C)C)c(O)c(C[NH+](C)C)c1	ZINC000001718252	355949747	/nfs/dbraw/zinc/94/97/47/355949747.db2.gz	HZNKHVGSPASMLZ-UHFFFAOYSA-N	2	2	266.341	1.302	40	10		CDCBLP