smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])c1c(Cl)cccc1[N+](=O)[O-]	199754692	169140145	/nfs/dbraw/zinc/14/01/45/169140145.db2.gz	VAUWAWRMTKOHEY-UHFFFAOYSA-N	1	1	199.597	1.532	40	5		ADBBMO
[NH3+]Cc1nc2ccc([N+](=O)[O-])cc2o1	82510346	169228445	/nfs/dbraw/zinc/22/84/45/169228445.db2.gz	VTSCOUKLGUCRDN-UHFFFAOYSA-N	1	1	193.162	1.195	40	5		ADBBMO
[NH3+]Cc1nc2c([N+](=O)[O-])cccc2o1	83253825	169229252	/nfs/dbraw/zinc/22/92/52/169229252.db2.gz	YRCLRDLFOPHTRA-UHFFFAOYSA-N	1	1	193.162	1.195	40	5		ADBBMO
[NH3+]Cc1nc2cc([N+](=O)[O-])ccc2o1	82510338	169229734	/nfs/dbraw/zinc/22/97/34/169229734.db2.gz	QLTDDANGPAIMRB-UHFFFAOYSA-N	1	1	193.162	1.195	40	5		ADBBMO
C[N@H+]1CCc2cc([N+](=O)[O-])ccc2C1	218744248	344415725	/nfs/dbraw/zinc/41/57/25/344415725.db2.gz	LXNOPQKFWGOYFU-UHFFFAOYSA-N	1	1	192.218	1.583	40	5		ADBBMO
Cc1ccc(C[N+](C)(C)N)cc1C	1637925	342953385	/nfs/dbraw/zinc/95/33/85/342953385.db2.gz	UGUHFGUACBFNEX-UHFFFAOYSA-N	1	1	179.287	1.754	40	5		ADBBMO
C[NH+](C)/C=C\c1ccncc1[N+](=O)[O-]	100041714	343709582	/nfs/dbraw/zinc/70/95/82/343709582.db2.gz	YYUSZTQRCCAPDJ-XQRVVYSFSA-N	1	1	193.206	1.522	40	5		ADBBMO
O=[N+]([O-])c1cccc([C@H]2[NH2+]CCO2)c1	31629107	351423103	/nfs/dbraw/zinc/42/31/03/351423103.db2.gz	VEXOEZYUONWVFH-VIFPVBQESA-N	1	1	194.190	1.213	40	5		ADBBMO
O=[N+]([O-])c1cccc([C@@H]2[NH2+]CCO2)c1	31629104	351423154	/nfs/dbraw/zinc/42/31/54/351423154.db2.gz	VEXOEZYUONWVFH-SECBINFHSA-N	1	1	194.190	1.213	40	5		ADBBMO