smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)c1ncnc2c1ncn2[C@H]1C[C@@H](O)[C@H](CO)O1	ZINC000004916393	419407036	/nfs/dbraw/zinc/40/70/36/419407036.db2.gz	HRFXSPJVCNUPQZ-KXUCPTDWSA-N	1	0	294.335	-0.336	40	5	in-vitro	CBBBRO
C[N+](C)=c1c2c(nc3ccccn31)n(C)c(=O)n(C)c2=O	ZINC000001582776	351304127	/nfs/dbraw/zinc/30/41/27/351304127.db2.gz	RKXJXMRBKFPQCR-UHFFFAOYSA-N	1	0	286.315	-0.563	40	5		CBBBRO
C[NH+]1CCN(CC2=c3ccc([N+](=O)[O-])cc3=NC2)CC1	ZINC000521395890	373841194	/nfs/dbraw/zinc/84/11/94/373841194.db2.gz	IQOSIEDQEUWSLQ-UHFFFAOYSA-N	1	0	274.324	-0.374	40	5		CBBBRO
Cn1c(NCC[N+](C)(C)C)nc2c1c(=O)n(C)c(=O)n2C	ZINC000001871387	351306954	/nfs/dbraw/zinc/30/69/54/351306954.db2.gz	NAZKUHBUAGDUDE-UHFFFAOYSA-O	1	0	295.367	-0.911	40	5		CBBBRO
Nc1c2c(ccc1[N+](=O)[O-])N(O)C1(CCCCC1)[N+]2=O	ZINC000019228247	283654465	/nfs/dbraw/zinc/65/44/65/283654465.db2.gz	SIZVAZQGTJMWID-UHFFFAOYSA-N	1	0	278.268	-0.171	40	5		CBBBRO
Cn1c(OCC[N+](C)(C)C)nc2c1c(=O)n(C)c(=O)n2C	ZINC000001652975	351304791	/nfs/dbraw/zinc/30/47/91/351304791.db2.gz	QLNXAEBEIYXOMJ-UHFFFAOYSA-N	1	0	296.351	-0.944	40	5		CBBBRO
C[N+](C)(C)c1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@H](CO)O1	ZINC000004916389	170041047	/nfs/dbraw/zinc/04/10/47/170041047.db2.gz	HRFXSPJVCNUPQZ-UTLUCORTSA-N	1	0	294.335	-0.336	40	5	in-vitro	CBBBRO
C[NH+](C)CCn1ccc2nc3ccn(N)c(=O)c3cc2c1=O	ZINC000040398624	282115855	/nfs/dbraw/zinc/11/58/55/282115855.db2.gz	NWDXTOOMSILZAZ-UHFFFAOYSA-N	1	0	299.334	-0.013	40	5		CBBBRO
O=[N+]([O-])c1ccc2c(c1)=C(CN1CC[NH2+]CC1)CN=2	ZINC000521395882	373841304	/nfs/dbraw/zinc/84/13/04/373841304.db2.gz	DNGPCGXYJHUJMR-UHFFFAOYSA-N	1	0	260.297	-0.716	40	5		CBBBRO
NC(=[NH2+])NC(N)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004771416	170014579	/nfs/dbraw/zinc/01/45/79/170014579.db2.gz	QIMKMFLJSDQETM-UHFFFAOYSA-N	1	0	282.220	-0.163	40	5		CBBBRO
CC1(C)N(O)C2=C([N+]1=O)C([N+](=O)[O-])([N+](=O)[O-])CCC2=O	ZINC000019330149	351349631	/nfs/dbraw/zinc/34/96/31/351349631.db2.gz	QWHJJTNVPGNUMF-UHFFFAOYSA-N	1	0	286.200	-0.749	40	5		CBBBRO
Cn1c2ncn(CC[N+](C)(C)C)c2c(=O)n(C)c1=O	ZINC000001652971	351304934	/nfs/dbraw/zinc/30/49/34/351304934.db2.gz	LZERAKZNFZLJOI-UHFFFAOYSA-N	1	0	266.325	-0.860	40	5		CBBBRO
[NH2+]=C(Nc1ncccc1[N+](=O)[O-])N1CCN(CCO)CC1	ZINC000225245534	352247003	/nfs/dbraw/zinc/24/70/03/352247003.db2.gz	JEMDVIJDRSPHOS-UHFFFAOYSA-N	1	0	294.315	-0.054	40	5		CBBBRO
[NH2+]=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(CCO)CC1	ZINC000225238745	352247064	/nfs/dbraw/zinc/24/70/64/352247064.db2.gz	RBSPMHRVMFANAW-UHFFFAOYSA-N	1	0	294.315	-0.054	40	5		CBBBRO
C[N+](C)(C)c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@H](CO)O1	ZINC000004916387	170041316	/nfs/dbraw/zinc/04/13/16/170041316.db2.gz	HRFXSPJVCNUPQZ-LPEHRKFASA-N	1	0	294.335	-0.336	40	5	in-vitro	CBBBRO
C[N+](C)(C)c1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@H](CO)O1	ZINC000001580751	280177627	/nfs/dbraw/zinc/17/76/27/280177627.db2.gz	HRFXSPJVCNUPQZ-GUBZILKMSA-N	1	0	294.335	-0.336	40	5	in-vitro	CBBBRO