smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]cc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1-c1nc(-c2ccc(F)cc2)cs1	ZINC000032615892	527301648	/nfs/dbraw/zinc/30/16/48/527301648.db2.gz	RGABHCFPWDQGLF-UHFFFAOYSA-N	1	2	423.429	4.604	40	5		HJBBLO
CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Nc2ccc3cc4ccccc4[nH+]c3c2)C1	ZINC000409190552	560689144	/nfs/dbraw/zinc/68/91/44/560689144.db2.gz	SAKFVRAKYKDERA-LJQANCHMSA-N	1	2	420.582	4.665	40	5		HJBBLO
Cc1[nH+]cc(NC(=O)c2ccccc2[N+](=O)[O-])n1-c1nc(-c2ccc(F)cc2)cs1	ZINC000032615877	527302270	/nfs/dbraw/zinc/30/22/70/527302270.db2.gz	QXAOSCBJSWCECO-UHFFFAOYSA-N	1	2	423.429	4.604	40	5		HJBBLO
Cc1[nH+]cc(NC(=O)c2ccccc2[N+](=O)[O-])n1-c1nc(-c2ccc(C)cc2)cs1	ZINC000032616167	527301717	/nfs/dbraw/zinc/30/17/17/527301717.db2.gz	SEULMYKHWRNHEH-UHFFFAOYSA-N	1	2	419.466	4.773	40	5		HJBBLO
O=[N+]([O-])c1cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)ccc1F	ZINC000329070184	569425055	/nfs/dbraw/zinc/42/50/55/569425055.db2.gz	ZELNSYQCGUGIET-UHFFFAOYSA-N	1	2	407.449	4.523	40	5		HJBBLO
CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccc3cc4ccccc4[nH+]c3c2)C1	ZINC000409190549	560689171	/nfs/dbraw/zinc/68/91/71/560689171.db2.gz	SAKFVRAKYKDERA-IBGZPJMESA-N	1	2	420.582	4.665	40	5		HJBBLO
O=C(NCc1ccccc1-n1cc[nH+]c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000030752013	568886935	/nfs/dbraw/zinc/88/69/35/568886935.db2.gz	SHILPPWMYMOEQM-XQNSMLJCSA-N	1	2	424.460	4.638	40	5		HJBBLO
Cc1c(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cccc1[N+](=O)[O-]	ZINC000329056127	569424875	/nfs/dbraw/zinc/42/48/75/569424875.db2.gz	VRKLRASZWXGEMP-UHFFFAOYSA-N	1	2	403.486	4.692	40	5		HJBBLO
O=C(NCc1ccc(-n2cc[nH+]c2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000216327365	568823825	/nfs/dbraw/zinc/82/38/25/568823825.db2.gz	INCYCDIFGHTXNV-LFVJCYFKSA-N	1	2	424.460	4.638	40	5		HJBBLO
CCOc1ccc(Nc2nc(Nc3ccc([NH+](C)C)cc3)nc(C)c2[N+](=O)[O-])cc1	ZINC000005393485	560578731	/nfs/dbraw/zinc/57/87/31/560578731.db2.gz	LQIRRGYIPFJIBJ-UHFFFAOYSA-N	1	2	408.462	4.645	40	5		HJBBLO