smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(Cl)cc([N+](=O)[O-])c1O	514285352	573609116	/nfs/dbraw/zinc/60/91/16/573609116.db2.gz	DRPYFVARMGFFOQ-UHFFFAOYSA-N	0	2	188.570	1.657	40	5		ADBBLN
Cc1c(F)ccc([N+](=O)[O-])c1O	97447189	343702058	/nfs/dbraw/zinc/70/20/58/343702058.db2.gz	AONXOVCORWKIMA-UHFFFAOYSA-N	0	2	171.127	1.748	40	5		ADBBLN
CC(=O)c1ccc(O)cc1[N+](=O)[O-]	22007557	166325442	/nfs/dbraw/zinc/32/54/42/166325442.db2.gz	HTNRCZLQNNBJAT-UHFFFAOYSA-N	0	2	181.147	1.503	40	5	in-vitro	ADBBLN
COCc1ccc(O)c([N+](=O)[O-])c1	35618499	168194331	/nfs/dbraw/zinc/19/43/31/168194331.db2.gz	ZCKJBZCQCZOWAC-UHFFFAOYSA-N	0	2	183.163	1.447	40	5		ADBBLN
COc1ccc(C[N+](=O)[O-])c(OC)c1	84914077	168251053	/nfs/dbraw/zinc/25/10/53/168251053.db2.gz	JGMRCSGVOBDUIB-UHFFFAOYSA-N	0	2	197.190	1.481	40	5		ADBBLN
COc1cccc(C[N+](=O)[O-])c1OC	217581069	168268756	/nfs/dbraw/zinc/26/87/56/168268756.db2.gz	IOGARZMPNHIERX-UHFFFAOYSA-N	0	2	197.190	1.481	40	5		ADBBLN
Cc1cc(O)c(C=O)cc1[N+](=O)[O-]	63926351	168773462	/nfs/dbraw/zinc/77/34/62/168773462.db2.gz	NESZCRFLZYRQMS-UHFFFAOYSA-N	0	2	181.147	1.421	40	5		ADBBLN
O=C1CCc2ccc(O)c([N+](=O)[O-])c21	36020477	169377703	/nfs/dbraw/zinc/37/77/03/169377703.db2.gz	OMSIDHRDOFJRKC-UHFFFAOYSA-N	0	2	193.158	1.429	40	5		ADBBLN
O=C1COc2cccc([N+](=O)[O-])c21	71606731	169379087	/nfs/dbraw/zinc/37/90/87/169379087.db2.gz	WEPQVVSBNQBVCO-UHFFFAOYSA-N	0	2	179.131	1.170	40	5		ADBBLN
O=C1Cc2c1cccc2[N+](=O)[O-]	3847831	169383775	/nfs/dbraw/zinc/38/37/75/169383775.db2.gz	MZIKQVVSEIXLGU-UHFFFAOYSA-N	0	2	163.132	1.334	40	5		ADBBLN
Cc1cc([N+](=O)[O-])c(C)c(C=O)c1O	36057462	171060239	/nfs/dbraw/zinc/06/02/39/171060239.db2.gz	ORYYDLKPTWIWDF-UHFFFAOYSA-N	0	2	195.174	1.730	40	5		ADBBLN
O=[N+]([O-])c1c(Cl)ccc2nn[nH]c12	38338980	171069221	/nfs/dbraw/zinc/06/92/21/171069221.db2.gz	SPJKEMVEHGCBBF-UHFFFAOYSA-N	0	2	198.569	1.520	40	5		ADBBLN
O=[N+]([O-])Cc1cccc(F)c1	142979878	171159589	/nfs/dbraw/zinc/15/95/89/171159589.db2.gz	CEEGZYQFCDHVSO-UHFFFAOYSA-N	0	2	155.128	1.602	40	5		ADBBLN
O=[N+]([O-])c1ccc2cccnc2c1O	3631082	171220910	/nfs/dbraw/zinc/22/09/10/171220910.db2.gz	RPJWQGVDVSVGPQ-UHFFFAOYSA-N	0	2	190.158	1.849	40	5		ADBBLN
O=c1[nH][nH]c2c([N+](=O)[O-])ccc(F)c12	100232126	351692778	/nfs/dbraw/zinc/69/27/78/351692778.db2.gz	OFIAUUASJYEPBK-UHFFFAOYSA-N	0	2	197.125	1.316	40	5	in-vitro	ADBBLN
COc1ccccc1C[N+](=O)[O-]	138546469	325623392	/nfs/dbraw/zinc/62/33/92/325623392.db2.gz	DHOOGSFDAOJIOU-UHFFFAOYSA-N	0	2	167.164	1.472	40	5		ADBBLN
O=[N+]([O-])c1c(O)cnc2ccccc12	1020116	342942568	/nfs/dbraw/zinc/94/25/68/342942568.db2.gz	MLUXQSRULOUMJF-UHFFFAOYSA-N	0	2	190.158	1.849	40	5		ADBBLN
Cc1cc(O)c([N+](=O)[O-])c(O)c1	31749780	343094260	/nfs/dbraw/zinc/09/42/60/343094260.db2.gz	VJUITVCKIWYTQX-UHFFFAOYSA-N	0	2	169.136	1.314	40	5		ADBBLN
CCc1ccc([N+](=O)[O-])c(O)c1	34601476	343123173	/nfs/dbraw/zinc/12/31/73/343123173.db2.gz	YJIUQVPMLSGDMP-UHFFFAOYSA-N	0	2	167.164	1.863	40	5		ADBBLN
CCc1cc(C=O)c(O)c([N+](=O)[O-])c1	63926349	343406999	/nfs/dbraw/zinc/40/69/99/343406999.db2.gz	YQXWEYNZOOZURE-UHFFFAOYSA-N	0	2	195.174	1.675	40	5		ADBBLN
Cc1cc(C=O)c(O)c([N+](=O)[O-])c1C	63926342	343407056	/nfs/dbraw/zinc/40/70/56/343407056.db2.gz	CQXGMGDQNLSOLF-UHFFFAOYSA-N	0	2	195.174	1.730	40	5		ADBBLN
Cc1cc([N+](=O)[O-])c(F)cc1O	238552204	344812693	/nfs/dbraw/zinc/81/26/93/344812693.db2.gz	UVOWBXFUIIUVGI-UHFFFAOYSA-N	0	2	171.127	1.748	40	5		ADBBLN
O=c1[nH][nH]c2cccc([N+](=O)[O-])c12	14983390	351375753	/nfs/dbraw/zinc/37/57/53/351375753.db2.gz	JIYHKUVJNVDYQH-UHFFFAOYSA-N	0	2	179.135	1.177	40	5		ADBBLN
O=[N+]([O-])c1cnc2cccnc2c1O	71256022	351609768	/nfs/dbraw/zinc/60/97/68/351609768.db2.gz	BPZZDZZOBAZEPJ-UHFFFAOYSA-N	0	2	191.146	1.244	40	5		ADBBLN
CCOc1ccccc1C[N+](=O)[O-]	148156873	371665661	/nfs/dbraw/zinc/66/56/61/371665661.db2.gz	PUSNELNNNTUFAF-UHFFFAOYSA-N	0	2	181.191	1.862	40	5		ADBBLN
CC(=O)c1cc([N+](=O)[O-])cc(F)c1O	148017088	518290832	/nfs/dbraw/zinc/29/08/32/518290832.db2.gz	RIEIGGRBULLRFP-UHFFFAOYSA-N	0	2	199.137	1.642	40	5		ADBBLN