smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1C=CC[C@@H]2C(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21	ZINC000408640390	277660114	/nfs/dbraw/zinc/66/01/14/277660114.db2.gz	AXEZYZZUVSGDMP-ICCXJUOJSA-N	-1	3	329.312	1.437	40	5		EDBBHM
O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1ccc([N+](=O)[O-])cc1	ZINC000016951754	284354381	/nfs/dbraw/zinc/35/43/81/284354381.db2.gz	FFDOVAVXVALKOZ-UHFFFAOYSA-N	-1	3	326.268	1.789	40	5		EDBBHM
O=C(Nc1cccc2c(=O)[n-][nH]c(=O)c12)c1ccc([N+](=O)[O-])cc1	ZINC000016951754	284354382	/nfs/dbraw/zinc/35/43/82/284354382.db2.gz	FFDOVAVXVALKOZ-UHFFFAOYSA-N	-1	3	326.268	1.789	40	5		EDBBHM
COc1ccc(C=Cc2[n-]c3ncnn3c(=O)c2[N+](=O)[O-])cc1OC	ZINC000016227130	441217426	/nfs/dbraw/zinc/21/74/26/441217426.db2.gz	GMLPIRIPGZBSKS-HWKANZROSA-N	-1	3	343.299	1.926	40	5		EDBBHM
C[C@@H]1CC[C@H]2C(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	ZINC000408649535	250307570	/nfs/dbraw/zinc/30/75/70/250307570.db2.gz	LDUQYXAWCICTIZ-WQAKAFBOSA-N	-1	3	331.328	1.661	40	5		EDBBHM
CC1=CC[C@H]2C(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	ZINC000408654852	250307722	/nfs/dbraw/zinc/30/77/22/250307722.db2.gz	QWXLLORSXXYXBF-CHWSQXEVSA-N	-1	3	329.312	1.581	40	5		EDBBHM
CC1=CC[C@@H]2C(=O)N([N-]C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1	ZINC000408677934	276183088	/nfs/dbraw/zinc/18/30/88/276183088.db2.gz	CGGRWHNWTIKHAD-STQMWFEESA-N	-1	3	329.312	1.581	40	5		EDBBHM
COc1[n-]nc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1[N+](=O)[O-]	ZINC000006412663	440991637	/nfs/dbraw/zinc/99/16/37/440991637.db2.gz	CZMGWBLCSNMUHM-UHFFFAOYSA-N	-1	3	344.283	1.994	40	5		EDBBHM
COc1n[n-]c(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1[N+](=O)[O-]	ZINC000006412663	440991643	/nfs/dbraw/zinc/99/16/43/440991643.db2.gz	CZMGWBLCSNMUHM-UHFFFAOYSA-N	-1	3	344.283	1.994	40	5		EDBBHM
C[C@@H]1C=CC[C@@H]2C(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21	ZINC000007881687	441073269	/nfs/dbraw/zinc/07/32/69/441073269.db2.gz	AXEZYZZUVSGDMP-JIMOISOXSA-N	-1	3	329.312	1.437	40	5		EDBBHM
CN1CCN(c2nc(Cl)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)CC1	ZINC000005319779	440947362	/nfs/dbraw/zinc/94/73/62/440947362.db2.gz	ZEMGKCNUIBOYCE-UHFFFAOYSA-N	-1	3	349.782	1.929	40	5		EDBBHM
CC1=CC[C@@H]2C(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	ZINC000408654859	250307226	/nfs/dbraw/zinc/30/72/26/250307226.db2.gz	QWXLLORSXXYXBF-QWHCGFSZSA-N	-1	3	329.312	1.581	40	5		EDBBHM
C[C@@H]1CC[C@H]2C(=O)N([N-]C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1	ZINC000408679450	250307531	/nfs/dbraw/zinc/30/75/31/250307531.db2.gz	FEFZMQOERIEHDP-WQAKAFBOSA-N	-1	3	331.328	1.661	40	5		EDBBHM
COC(=O)[C@@]([O-])(CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F	ZINC000004893691	210314940	/nfs/dbraw/zinc/31/49/40/210314940.db2.gz	WSIPXCXKHROSLD-NSHDSACASA-N	-1	3	336.222	1.390	40	5		EDBBHM
O=c1c([N+](=O)[O-])c(C=Cc2ccc([N+](=O)[O-])cc2)[n-]c2ncnn21	ZINC000016400213	304802037	/nfs/dbraw/zinc/80/20/37/304802037.db2.gz	GBBFUXSOEUJJHE-ZZXKWVIFSA-N	-1	3	328.244	1.817	40	5		EDBBHM
O=c1c([N+](=O)[O-])c(C=Cc2ccccc2[N+](=O)[O-])[n-]c2ncnn21	ZINC000016448955	441224325	/nfs/dbraw/zinc/22/43/25/441224325.db2.gz	FYROQPNRQVSUHC-AATRIKPKSA-N	-1	3	328.244	1.817	40	5		EDBBHM
CC1=CC[C@H]2C(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	ZINC000408654856	250307337	/nfs/dbraw/zinc/30/73/37/250307337.db2.gz	QWXLLORSXXYXBF-OLZOCXBDSA-N	-1	3	329.312	1.581	40	5		EDBBHM
O=c1[n-]cnc2c1C(c1ccccc1[N+](=O)[O-])c1c(=O)[nH]cnc1O2	ZINC000008680574	304814782	/nfs/dbraw/zinc/81/47/82/304814782.db2.gz	VKDWFYCGOOPOSX-UHFFFAOYSA-N	-1	3	339.267	1.047	40	5		EDBBHM
C[C@@H]1CC[C@H]2C(=O)N([N-]C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1	ZINC000408679449	287803307	/nfs/dbraw/zinc/80/33/07/287803307.db2.gz	FEFZMQOERIEHDP-OASPWFOLSA-N	-1	3	331.328	1.661	40	5		EDBBHM
C[C@@H]1CC[C@@H]2C(=O)N([N-]C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1	ZINC000008475039	441092766	/nfs/dbraw/zinc/09/27/66/441092766.db2.gz	FEFZMQOERIEHDP-JIMOISOXSA-N	-1	3	331.328	1.661	40	5		EDBBHM
O=c1[n-]cnc2c1ncn2CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000008617630	441097138	/nfs/dbraw/zinc/09/71/38/441097138.db2.gz	JOIDRQCHIITUDI-UHFFFAOYSA-N	-1	3	330.260	1.179	40	5		EDBBHM
O=c1[n-]n(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)c2cccnc12	ZINC000016430830	280392386	/nfs/dbraw/zinc/39/23/86/280392386.db2.gz	LCVCVLRYTPQCJC-UHFFFAOYSA-N	-1	3	329.228	1.303	40	5		EDBBHM
C[C@@H]1C=CC[C@H]2C(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21	ZINC000136512163	441702821	/nfs/dbraw/zinc/70/28/21/441702821.db2.gz	AXEZYZZUVSGDMP-OASPWFOLSA-N	-1	3	329.312	1.437	40	5		EDBBHM
CC1=CC[C@@H]2C(=O)N([N-]C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1	ZINC000408677932	250307537	/nfs/dbraw/zinc/30/75/37/250307537.db2.gz	CGGRWHNWTIKHAD-QWHCGFSZSA-N	-1	3	329.312	1.581	40	5		EDBBHM
O=C([N-]N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1	ZINC000004134930	295700560	/nfs/dbraw/zinc/70/05/60/295700560.db2.gz	APXOQIDBUCNACD-KGOITJQVSA-N	-1	3	327.296	1.047	40	5		EDBBHM
NC(=O)c1ccc(Sc2nnc(C(F)(F)F)[n-]2)c([N+](=O)[O-])c1	ZINC000078406773	217049117	/nfs/dbraw/zinc/04/91/17/217049117.db2.gz	YMWLFNOODAWWOI-UHFFFAOYSA-N	-1	3	333.251	1.982	40	5		EDBBHM
NC(=O)c1ccc(Sc2nc(C(F)(F)F)n[n-]2)c([N+](=O)[O-])c1	ZINC000078406773	217049119	/nfs/dbraw/zinc/04/91/19/217049119.db2.gz	YMWLFNOODAWWOI-UHFFFAOYSA-N	-1	3	333.251	1.982	40	5		EDBBHM
COC(=O)[C@]([O-])(CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F	ZINC000004893694	210315259	/nfs/dbraw/zinc/31/52/59/210315259.db2.gz	WSIPXCXKHROSLD-LLVKDONJSA-N	-1	3	336.222	1.390	40	5		EDBBHM
NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(C(F)(F)F)[n-]1	ZINC000078406795	217049277	/nfs/dbraw/zinc/04/92/77/217049277.db2.gz	CKQTUDZIBXWULH-UHFFFAOYSA-N	-1	3	333.251	1.982	40	5		EDBBHM
NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C(F)(F)F)n[n-]1	ZINC000078406795	217049278	/nfs/dbraw/zinc/04/92/78/217049278.db2.gz	CKQTUDZIBXWULH-UHFFFAOYSA-N	-1	3	333.251	1.982	40	5		EDBBHM
O=c1[n-]c(=O)c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c[nH]1	ZINC000104137331	275033906	/nfs/dbraw/zinc/03/39/06/275033906.db2.gz	SOWMPOVGUVAIIQ-UHFFFAOYSA-N	-1	3	338.192	1.356	40	5		EDBBHM
O=C([O-])[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccccn1	ZINC000004189778	440912543	/nfs/dbraw/zinc/91/25/43/440912543.db2.gz	QIHNGUDTPVSWSN-AWEZNQCLSA-N	-1	3	344.327	1.561	40	5		EDBBHM
C[C@@H]1CCc2c(sc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])c2C(N)=O)C1	ZINC000005640248	440963777	/nfs/dbraw/zinc/96/37/77/440963777.db2.gz	XJDGSFLRVGXIDA-ZCFIWIBFSA-N	-1	3	349.372	1.855	40	5		EDBBHM