smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCN1CCCCC1)S(C)(=O)=O	ZINC000010335600	570569492	/nfs/dbraw/zinc/56/94/92/570569492.db2.gz	XBAPNGPKQNYNGC-UHFFFAOYSA-N	0	3	398.485	1.271	40	5		GDBBHN
CN1CCC(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	ZINC000222368429	208873845	/nfs/dbraw/zinc/87/38/45/208873845.db2.gz	ALESKRCPBSWMIW-UHFFFAOYSA-N	0	3	398.485	1.351	40	5		GDBBHN
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NC1CCN(C)CC1)S(C)(=O)=O	ZINC000220397899	570997836	/nfs/dbraw/zinc/99/78/36/570997836.db2.gz	TTZATJHVDIRHKN-ZDUSSCGKSA-N	0	3	398.485	1.268	40	5		GDBBHN
CN(C)CCNc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2ccncc2)n1	ZINC000329008116	206240682	/nfs/dbraw/zinc/24/06/82/206240682.db2.gz	LPMLPKAYTMCIPZ-UHFFFAOYSA-N	0	3	393.451	1.876	40	5		GDBBHN
CN(C)CCNc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2cccnc2)n1	ZINC000329004809	206241191	/nfs/dbraw/zinc/24/11/91/206241191.db2.gz	KUADPGSBEFXUQB-UHFFFAOYSA-N	0	3	393.451	1.876	40	5		GDBBHN
N[C@H](CCCCNC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1	ZINC000211634151	570975513	/nfs/dbraw/zinc/97/55/13/570975513.db2.gz	YDYSCRZHYWLSPQ-MRXNPFEDSA-N	0	3	378.429	1.941	40	5		GDBBHN
CN(C)CCNc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccccn2)n1	ZINC000329003486	209155806	/nfs/dbraw/zinc/15/58/06/209155806.db2.gz	KOCMHQKTAYLACQ-UHFFFAOYSA-N	0	3	393.451	1.876	40	5		GDBBHN
CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222530481	570746339	/nfs/dbraw/zinc/74/63/39/570746339.db2.gz	RBMRSMMUDPWGTC-INIZCTEOSA-N	0	3	398.485	1.350	40	5		GDBBHN
CC[C@H](C(=O)NC1CCN(C)CC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222530540	570746405	/nfs/dbraw/zinc/74/64/05/570746405.db2.gz	RBMRSMMUDPWGTC-MRXNPFEDSA-N	0	3	398.485	1.350	40	5		GDBBHN
O=[N+]([O-])c1cc(C2=NCCN2)ccc1C=C([O-])c1ccc(C2=[NH+]CCN2)cc1	ZINC000001583609	209333638	/nfs/dbraw/zinc/33/36/38/209333638.db2.gz	KXKCYZROBMKJQY-UHFFFAOYSA-N	0	3	377.404	1.720	40	5		GDBBHN
CSc1n[nH]c(-n2ccc3nc4ccn(CCN(C)C)c(=O)c4cc3c2=O)n1	ZINC000040398873	570602322	/nfs/dbraw/zinc/60/23/22/570602322.db2.gz	YWLOXXXSRAUEAW-UHFFFAOYSA-N	0	3	397.464	1.102	40	5		GDBBHN
CN(C)CCNc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2ccccn2)n1	ZINC000328974391	209154029	/nfs/dbraw/zinc/15/40/29/209154029.db2.gz	FGDZVNMACQRFDR-UHFFFAOYSA-N	0	3	393.451	1.876	40	5		GDBBHN
CN(C)CCNc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2cccnc2)n1	ZINC000329036479	212093899	/nfs/dbraw/zinc/09/38/99/212093899.db2.gz	RJHAKIFJCSZZDX-UHFFFAOYSA-N	0	3	393.451	1.876	40	5		GDBBHN
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NC1CCN(C)CC1)S(C)(=O)=O	ZINC000220397959	570997610	/nfs/dbraw/zinc/99/76/10/570997610.db2.gz	TTZATJHVDIRHKN-CYBMUJFWSA-N	0	3	398.485	1.268	40	5		GDBBHN
CCOc1cccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)c1OCC(=O)OC	ZINC000408605262	528625794	/nfs/dbraw/zinc/62/57/94/528625794.db2.gz	LKFVAIIWHZHYKT-BQYQJAHWSA-N	0	3	391.336	1.917	40	5		GDBBHN
CN(C)CCNc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccncc2)n1	ZINC000328963741	212090876	/nfs/dbraw/zinc/09/08/76/212090876.db2.gz	BPVORWKOQHAFCI-UHFFFAOYSA-N	0	3	393.451	1.876	40	5		GDBBHN
CN(C)CCNc1nc(NCc2ccccc2[N+](=O)[O-])cc(C(F)(F)F)n1	ZINC000328961995	212091000	/nfs/dbraw/zinc/09/10/00/212091000.db2.gz	BGIRJEKZJYWLPD-UHFFFAOYSA-N	0	3	384.362	1.833	40	5		GDBBHN
CCOC(=O)COc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OC	ZINC000409339933	528841216	/nfs/dbraw/zinc/84/12/16/528841216.db2.gz	MXIVAQNBZJJDED-FNORWQNLSA-N	0	3	391.336	1.917	40	5		GDBBHN
N=C(Nc1ncccc1[N+](=O)[O-])N1CCC(C(N)=O)(N2CCCCC2)CC1	ZINC000225245870	570558842	/nfs/dbraw/zinc/55/88/42/570558842.db2.gz	POGSFMLCMRUQNV-UHFFFAOYSA-N	0	3	375.433	1.142	40	5		GDBBHN
CCOc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)OC	ZINC000409339679	528199790	/nfs/dbraw/zinc/19/97/90/528199790.db2.gz	KLZGTUVTHWKZFL-ALCCZGGFSA-N	0	3	391.336	1.917	40	5		GDBBHN
CN(C)CCNc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccccn2)n1	ZINC000329006312	212091956	/nfs/dbraw/zinc/09/19/56/212091956.db2.gz	LCVDMJORRSBFOQ-UHFFFAOYSA-N	0	3	393.451	1.876	40	5		GDBBHN