smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@H]1CC[C@@H](C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1	ZINC000216983849	581173231	/nfs/dbraw/zinc/17/32/31/581173231.db2.gz	JERFQKHIYBAEAS-OLZOCXBDSA-N	2	0	274.368	0.858	10	70		CCIERP
CCC[C@@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)[NH+](C)C	ZINC000160447772	350701223	/nfs/dbraw/zinc/70/12/23/350701223.db2.gz	GOIRNHLXXUDADK-STQMWFEESA-N	2	0	271.405	0.506	10	70		CCIERP
CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1	ZINC000217950832	389135149	/nfs/dbraw/zinc/13/51/49/389135149.db2.gz	DUZYEVOBBYBRRU-JHJVBQTASA-N	2	0	269.389	0.211	10	70		CCIERP
CC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1	ZINC000161030773	350710172	/nfs/dbraw/zinc/71/01/72/350710172.db2.gz	XAKWDTRQCGZWPU-STQMWFEESA-N	2	0	253.390	0.962	10	70		CCIERP
COC(=O)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217048268	329316551	/nfs/dbraw/zinc/31/65/51/329316551.db2.gz	GMERJPDFDDNVQZ-OLZOCXBDSA-N	2	0	297.399	0.130	10	70		CCIERP
CCC[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)[NH+](C)C	ZINC000160447922	350700648	/nfs/dbraw/zinc/70/06/48/350700648.db2.gz	GOIRNHLXXUDADK-QWHCGFSZSA-N	2	0	271.405	0.506	10	70		CCIERP
CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1	ZINC000161030628	350710360	/nfs/dbraw/zinc/71/03/60/350710360.db2.gz	XAKWDTRQCGZWPU-OLZOCXBDSA-N	2	0	253.390	0.962	10	70		CCIERP
C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)[NH+]1CCCC1	ZINC000161225917	350716020	/nfs/dbraw/zinc/71/60/20/350716020.db2.gz	KHQXOMREGJKQBB-JHJVBQTASA-N	2	0	253.390	0.975	10	70		CCIERP
CCC[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[NH+](C)C	ZINC000160447647	350700929	/nfs/dbraw/zinc/70/09/29/350700929.db2.gz	GOIRNHLXXUDADK-CHWSQXEVSA-N	2	0	271.405	0.506	10	70		CCIERP
C[N@H+](CCCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C1CCCCC1	ZINC000216902408	397433543	/nfs/dbraw/zinc/43/35/43/397433543.db2.gz	ZGWVZZDQRQKPBJ-KGLIPLIRSA-N	2	0	283.416	0.480	10	70		CCIERP
[NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1	ZINC000217770597	295322186	/nfs/dbraw/zinc/32/21/86/295322186.db2.gz	VVZASTAGEPUBLE-UMSGYPCISA-N	2	0	267.373	0.093	10	70		CCIERP
CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1	ZINC000161030891	350710228	/nfs/dbraw/zinc/71/02/28/350710228.db2.gz	XAKWDTRQCGZWPU-CHWSQXEVSA-N	2	0	253.390	0.962	10	70		CCIERP
CCC[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[NH+](C)C	ZINC000160447519	520582099	/nfs/dbraw/zinc/58/20/99/520582099.db2.gz	GOIRNHLXXUDADK-OLZOCXBDSA-N	2	0	271.405	0.506	10	70		CCIERP
CC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1	ZINC000161030991	350710124	/nfs/dbraw/zinc/71/01/24/350710124.db2.gz	XAKWDTRQCGZWPU-QWHCGFSZSA-N	2	0	253.390	0.962	10	70		CCIERP
C[N@H+](CCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CCCCC1	ZINC000216902447	397433419	/nfs/dbraw/zinc/43/34/19/397433419.db2.gz	ZGWVZZDQRQKPBJ-ZIAGYGMSSA-N	2	0	283.416	0.480	10	70		CCIERP
COC(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217048307	329316717	/nfs/dbraw/zinc/31/67/17/329316717.db2.gz	GMERJPDFDDNVQZ-STQMWFEESA-N	2	0	297.399	0.130	10	70		CCIERP