smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CC[N+](C)([O-])CC3)ccc1OCC)[n-]c2=O	ZINC000043201726	521556558	/nfs/dbraw/zinc/55/65/58/521556558.db2.gz	JQGFLCMKCZPSEC-UHFFFAOYSA-N	-1	1	490.586	1.624	40	5	in-vitro	JDBBMM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC(=O)N3)CC1	ZINC000038828323	569808242	/nfs/dbraw/zinc/80/82/42/569808242.db2.gz	BSBBBLBDJOKOEU-HNNXBMFYSA-N	-1	1	498.496	1.831	40	5		JDBBMM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)CC1	ZINC000038828263	569808248	/nfs/dbraw/zinc/80/82/48/569808248.db2.gz	FHOIODFNDPVJIX-ZDUSSCGKSA-N	-1	1	484.469	1.522	40	5		JDBBMM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC(=O)N3)CC1	ZINC000038828280	569808307	/nfs/dbraw/zinc/80/83/07/569808307.db2.gz	NZTWFLXQMQKSOS-HNNXBMFYSA-N	-1	1	498.496	1.831	40	5		JDBBMM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)CC1	ZINC000038828265	569808245	/nfs/dbraw/zinc/80/82/45/569808245.db2.gz	FHOIODFNDPVJIX-CYBMUJFWSA-N	-1	1	484.469	1.522	40	5		JDBBMM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)CC1	ZINC000038828222	569808262	/nfs/dbraw/zinc/80/82/62/569808262.db2.gz	RKDZOWRATXGZRK-OAHLLOKOSA-N	-1	1	484.469	1.522	40	5		JDBBMM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC(=O)N3)CC1	ZINC000038828325	569808354	/nfs/dbraw/zinc/80/83/54/569808354.db2.gz	BSBBBLBDJOKOEU-OAHLLOKOSA-N	-1	1	498.496	1.831	40	5		JDBBMM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)CC1	ZINC000038828204	569808093	/nfs/dbraw/zinc/80/80/93/569808093.db2.gz	PYFUPVQDQXSOQN-OAHLLOKOSA-N	-1	1	484.469	1.522	40	5		JDBBMM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)CC1	ZINC000038828221	569808236	/nfs/dbraw/zinc/80/82/36/569808236.db2.gz	RKDZOWRATXGZRK-HNNXBMFYSA-N	-1	1	484.469	1.522	40	5		JDBBMM
Nc1nc2nc(SCC(=O)NCCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[n-]c2c(=O)[nH]1	ZINC000020435728	527559597	/nfs/dbraw/zinc/55/95/97/527559597.db2.gz	LXKDFINYYNXWMR-UHFFFAOYSA-N	-1	1	486.436	1.866	40	5		JDBBMM
Nc1nc2[n-]c(SCC(=O)NCCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2c(=O)[nH]1	ZINC000020435728	527559603	/nfs/dbraw/zinc/55/96/03/527559603.db2.gz	LXKDFINYYNXWMR-UHFFFAOYSA-N	-1	1	486.436	1.866	40	5		JDBBMM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)CC1	ZINC000038828203	569808074	/nfs/dbraw/zinc/80/80/74/569808074.db2.gz	PYFUPVQDQXSOQN-HNNXBMFYSA-N	-1	1	484.469	1.522	40	5		JDBBMM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC(=O)N3)CC1	ZINC000038828349	569808220	/nfs/dbraw/zinc/80/82/20/569808220.db2.gz	ILHUAJIHPXOIGI-OAHLLOKOSA-N	-1	1	498.496	1.831	40	5		JDBBMM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC(=O)N3)CC1	ZINC000038828347	569808268	/nfs/dbraw/zinc/80/82/68/569808268.db2.gz	ILHUAJIHPXOIGI-HNNXBMFYSA-N	-1	1	498.496	1.831	40	5		JDBBMM
CCOC(=O)C1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC(=O)N3)CC1	ZINC000038828282	569808272	/nfs/dbraw/zinc/80/82/72/569808272.db2.gz	NZTWFLXQMQKSOS-OAHLLOKOSA-N	-1	1	498.496	1.831	40	5		JDBBMM