smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@H](CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])N(C)C)cc1	ZINC000058178827	525358831	/nfs/dbraw/zinc/35/88/31/525358831.db2.gz	YVFZTBLOFPUDTF-SFHVURJKSA-N	0	3	373.409	2.645	50	5		FFBAHN
COc1cc([C@@H]2NC(=O)CCC2[N+](=O)[O-])ccc1OCc1ccccc1	ZINC000000815842	506233358	/nfs/dbraw/zinc/23/33/58/506233358.db2.gz	ZCSAVJRPGZHZHC-BEFAXECRSA-N	0	3	356.378	2.871	50	5		FFBAHN
Cc1c(C(=O)NCCN(C)C)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12	ZINC000004931098	204177142	/nfs/dbraw/zinc/17/71/42/204177142.db2.gz	MJDRZHMCKVQLGY-UHFFFAOYSA-N	0	3	373.438	2.571	50	5		FFBAHN
CNc1ccc(CNCCNc2cc(OC)cc(OC)c2)cc1[N+](=O)[O-]	ZINC000126106727	206116649	/nfs/dbraw/zinc/11/66/49/206116649.db2.gz	JEAZTTDGHRTJDV-UHFFFAOYSA-N	0	3	360.414	2.855	50	5		FFBAHN
C[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CN1CCCCC1	ZINC000040153868	506475293	/nfs/dbraw/zinc/47/52/93/506475293.db2.gz	COZMXYDJVSYENL-CYBMUJFWSA-N	0	3	355.460	2.532	50	5		FFBAHN
CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000032916528	506312904	/nfs/dbraw/zinc/31/29/04/506312904.db2.gz	RXYPJEHEVYOYND-UHFFFAOYSA-N	0	3	357.476	2.583	50	5		FFBAHN
C[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CN1CCCCC1	ZINC000040153867	506476418	/nfs/dbraw/zinc/47/64/18/506476418.db2.gz	COZMXYDJVSYENL-ZDUSSCGKSA-N	0	3	355.460	2.532	50	5		FFBAHN
CCN(CC)Cc1cccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1	ZINC000024925735	507448874	/nfs/dbraw/zinc/44/88/74/507448874.db2.gz	OGCYDIUTOKKFMD-UHFFFAOYSA-N	0	3	359.430	2.889	50	5		FFBAHN
Cc1c(CC(=O)N(C)CCCN(C)Cc2ccncc2)cccc1[N+](=O)[O-]	ZINC000328591902	511888733	/nfs/dbraw/zinc/88/87/33/511888733.db2.gz	SBKLSUPCYQRZCK-UHFFFAOYSA-N	0	3	370.453	2.821	50	5		FFBAHN
O=C(COc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccccc2)CC1	ZINC000010450834	207300876	/nfs/dbraw/zinc/30/08/76/207300876.db2.gz	MVULBTJZOXUFFD-UHFFFAOYSA-N	0	3	369.421	2.754	50	5		FFBAHN
CC(C)CCN1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1	ZINC000047869049	208385283	/nfs/dbraw/zinc/38/52/83/208385283.db2.gz	DNAFAYFCELMVLL-UHFFFAOYSA-N	0	3	359.430	2.809	50	5		FFBAHN
CN1CCN(CC2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)CC1	ZINC000057151551	136128237	/nfs/dbraw/zinc/12/82/37/136128237.db2.gz	DRUFNKNFSQSSOG-UHFFFAOYSA-N	0	3	352.866	2.712	50	5		FFBAHN
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(c2ccncc2)CC1	ZINC000093906787	132206308	/nfs/dbraw/zinc/20/63/08/132206308.db2.gz	MQFVFZNGRWLSRF-UHFFFAOYSA-N	0	3	354.410	2.877	50	5		FFBAHN
CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000032916529	506312845	/nfs/dbraw/zinc/31/28/45/506312845.db2.gz	UOJUWDPTHXOLHD-UHFFFAOYSA-N	0	3	357.476	2.583	50	5		FFBAHN
C[C@H]1C[C@H](C)CN(CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1	ZINC000040110349	506468984	/nfs/dbraw/zinc/46/89/84/506468984.db2.gz	GDYNPVZLQVGWNT-HOTGVXAUSA-N	0	3	374.485	2.903	50	5		FFBAHN
CN(C)[C@@H]1c2ccccc2C2(CCN(c3ccc([N+](=O)[O-])cn3)CC2)[C@H]1O	ZINC000020784615	507236133	/nfs/dbraw/zinc/23/61/33/507236133.db2.gz	ROQHDRUZBDBOAX-MOPGFXCFSA-N	0	3	368.437	2.505	50	5		FFBAHN
CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1N(C)C	ZINC000089314127	507829601	/nfs/dbraw/zinc/82/96/01/507829601.db2.gz	FFYZJRFPVXYLGV-OLZOCXBDSA-N	0	3	358.851	2.758	50	5		FFBAHN
CN1CCN(CCCNc2ccc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1	ZINC000229555620	509426104	/nfs/dbraw/zinc/42/61/04/509426104.db2.gz	KMJRGIFWQPGJOH-GOSISDBHSA-N	0	3	355.442	2.781	50	5		FFBAHN
CN(C)C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1	ZINC000032912629	208055934	/nfs/dbraw/zinc/05/59/34/208055934.db2.gz	ITEBKOXIZOJDJQ-QAPCUYQASA-N	0	3	372.425	2.628	50	5		FFBAHN
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCCN2CCC(C)CC2)c1C	ZINC000012789987	506901775	/nfs/dbraw/zinc/90/17/75/506901775.db2.gz	GWJGOOTVMCEFDU-UHFFFAOYSA-N	0	3	369.487	2.612	50	5		FFBAHN
NC(=O)c1ccc(N[C@@H](CN2CCCC2)c2ccccc2)c([N+](=O)[O-])c1	ZINC000040060986	208221348	/nfs/dbraw/zinc/22/13/48/208221348.db2.gz	MKOOLHWMOKSRSN-KRWDZBQOSA-N	0	3	354.410	2.943	50	5		FFBAHN
CN(C)C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1	ZINC000040088347	208226174	/nfs/dbraw/zinc/22/61/74/208226174.db2.gz	ILEYBDMHZGXYLG-QAPCUYQASA-N	0	3	372.425	2.628	50	5		FFBAHN
COc1ccc([C@@H](CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])N(C)C)cc1	ZINC000058178829	525184994	/nfs/dbraw/zinc/18/49/94/525184994.db2.gz	YVFZTBLOFPUDTF-GOSISDBHSA-N	0	3	373.409	2.645	50	5		FFBAHN
CN(C)C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1	ZINC000040088348	211721828	/nfs/dbraw/zinc/72/18/28/211721828.db2.gz	ILEYBDMHZGXYLG-YJBOKZPZSA-N	0	3	372.425	2.628	50	5		FFBAHN
CCN1CCN(c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)CC1	ZINC000011947766	136151462	/nfs/dbraw/zinc/15/14/62/136151462.db2.gz	GBQGSYXRCJZMCD-UHFFFAOYSA-N	0	3	368.437	2.918	50	5		FFBAHN
CN(C)C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1	ZINC000032912631	506310509	/nfs/dbraw/zinc/31/05/09/506310509.db2.gz	ITEBKOXIZOJDJQ-CRAIPNDOSA-N	0	3	372.425	2.628	50	5		FFBAHN
CCCn1c2ccccc2c([O-])c(C(=O)NCC[N+](CC)(CC)CC)c1=O	ZINC000006075977	506466687	/nfs/dbraw/zinc/46/66/87/506466687.db2.gz	HCBAUBKQTIQUAW-UHFFFAOYSA-O	0	3	374.505	2.723	50	5		FFBAHN
C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1	ZINC000040110351	506468706	/nfs/dbraw/zinc/46/87/06/506468706.db2.gz	GDYNPVZLQVGWNT-HZPDHXFCSA-N	0	3	374.485	2.903	50	5		FFBAHN
O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccccc2)C1	ZINC000012607168	220013006	/nfs/dbraw/zinc/01/30/06/220013006.db2.gz	FLQJYCVYRJBBMN-QGZVFWFLSA-N	0	3	368.437	2.788	50	5		FFBAHN
CN(C)C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1	ZINC000032912632	506311517	/nfs/dbraw/zinc/31/15/17/506311517.db2.gz	ITEBKOXIZOJDJQ-MAUKXSAKSA-N	0	3	372.425	2.628	50	5		FFBAHN
CN1CCN(CCC2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CC1	ZINC000048301749	136123382	/nfs/dbraw/zinc/12/33/82/136123382.db2.gz	KBCOTDISGXMOLN-UHFFFAOYSA-N	0	3	350.438	2.588	50	5		FFBAHN
COc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)c([N+](=O)[O-])cc1OC	ZINC000010328085	210352809	/nfs/dbraw/zinc/35/28/09/210352809.db2.gz	KIFZVSJPJYRGDT-INIZCTEOSA-N	0	3	373.409	2.645	50	5		FFBAHN
CN(C)CCNc1c2ccccc2n(-c2ccccc2)c(=O)c1[N+](=O)[O-]	ZINC000009305586	506690373	/nfs/dbraw/zinc/69/03/73/506690373.db2.gz	DWZIMSQOYHVRDR-UHFFFAOYSA-N	0	3	352.394	2.872	50	5		FFBAHN
CC(C)c1ccc([C@H](N)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000123747638	508732746	/nfs/dbraw/zinc/73/27/46/508732746.db2.gz	HTXUOBCJZKOCTN-QGZVFWFLSA-N	0	3	363.439	2.697	50	5		FFBAHN
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2ccccc2C1	ZINC000002765122	506292067	/nfs/dbraw/zinc/29/20/67/506292067.db2.gz	PPTOJJGTSJGPCY-UHFFFAOYSA-N	0	3	355.394	2.990	50	5		FFBAHN
O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccccc2)C1	ZINC000012607170	220013233	/nfs/dbraw/zinc/01/32/33/220013233.db2.gz	FLQJYCVYRJBBMN-KRWDZBQOSA-N	0	3	368.437	2.788	50	5		FFBAHN
Cc1c(C(=O)NCc2ccc(OCCN(C)C)cc2)cccc1[N+](=O)[O-]	ZINC000048356561	221009694	/nfs/dbraw/zinc/00/96/94/221009694.db2.gz	PIMKXKMOFXHRMM-UHFFFAOYSA-N	0	3	357.410	2.774	50	5		FFBAHN
CN(C)C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1	ZINC000032912630	506310863	/nfs/dbraw/zinc/31/08/63/506310863.db2.gz	ITEBKOXIZOJDJQ-YJBOKZPZSA-N	0	3	372.425	2.628	50	5		FFBAHN
CN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1N1CCOCC1	ZINC000040105768	136119328	/nfs/dbraw/zinc/11/93/28/136119328.db2.gz	ROGXODCLYFPZEH-UHFFFAOYSA-N	0	3	371.437	2.942	50	5		FFBAHN
CCN1CCN(Cc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1	ZINC000040089799	506466306	/nfs/dbraw/zinc/46/63/06/506466306.db2.gz	AZSUKKRXOXBSSW-UHFFFAOYSA-N	0	3	368.437	2.985	50	5		FFBAHN
COCCN(C)CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	ZINC000058305092	221113481	/nfs/dbraw/zinc/11/34/81/221113481.db2.gz	NZYDSXWKXMTOMK-UHFFFAOYSA-N	0	3	372.425	2.646	50	5		FFBAHN
CN(C)[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)Cc1ccccc1	ZINC000067725857	221277961	/nfs/dbraw/zinc/27/79/61/221277961.db2.gz	BCGAAVLXDMFNFW-SFHVURJKSA-N	0	3	356.426	2.567	50	5		FFBAHN
CN(C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CCN(C)CC1	ZINC000004063608	132386372	/nfs/dbraw/zinc/38/63/72/132386372.db2.gz	ATRGVDCWSKRJFG-UHFFFAOYSA-N	0	3	360.458	2.751	50	5		FFBAHN
Cc1ccc(-n2c(O)c3onc(-c4ccc([N+](=O)[O-])cc4)c3c2O)c(C)c1	ZINC000103945272	222347647	/nfs/dbraw/zinc/34/76/47/222347647.db2.gz	PEODFDAIUIXEHI-NVXWUHKLSA-N	0	3	365.345	2.504	50	5		FFBAHN
CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1cc(O)ccc13	ZINC000003825292	506350106	/nfs/dbraw/zinc/35/01/06/506350106.db2.gz	CUNDRHORZHFPLY-UHFFFAOYSA-N	0	3	350.422	2.898	50	5	in-man	FFBAHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])c(NCCOc3ccccc3)c2)CCN1	ZINC000004180767	506364921	/nfs/dbraw/zinc/36/49/21/506364921.db2.gz	OAWBNSFACJTGRK-OAHLLOKOSA-N	0	3	356.426	2.884	50	5		FFBAHN
O=[N+]([O-])c1cccc(CNCCCSc2nnnn2-c2ccccc2)c1	ZINC000007540456	506569168	/nfs/dbraw/zinc/56/91/68/506569168.db2.gz	QMTVNVKTQKQCAW-UHFFFAOYSA-N	0	3	370.438	2.843	50	5		FFBAHN
CN(C)C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1	ZINC000040088345	220878788	/nfs/dbraw/zinc/87/87/88/220878788.db2.gz	ILEYBDMHZGXYLG-CRAIPNDOSA-N	0	3	372.425	2.628	50	5		FFBAHN
CN(C)CCO[C@@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000083851118	508258843	/nfs/dbraw/zinc/25/88/43/508258843.db2.gz	WUCRZOMGKLUXSP-GFCCVEGCSA-N	0	3	358.236	2.514	50	5		FFBAHN
Cn1c2ccccc2c(N2CCN(C3CCCC3)CC2)c([N+](=O)[O-])c1=O	ZINC000004263726	506368204	/nfs/dbraw/zinc/36/82/04/506368204.db2.gz	MNBZXSWGCAYMGI-UHFFFAOYSA-N	0	3	356.426	2.511	50	5		FFBAHN
NC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1	ZINC000170615010	509681627	/nfs/dbraw/zinc/68/16/27/509681627.db2.gz	PPKAIUHEUHNUNZ-SFHVURJKSA-N	0	3	371.418	2.726	50	5		FFBAHN
COc1cc([C@H]2NC(=O)CCC2[N+](=O)[O-])ccc1OCc1ccccc1	ZINC000000815843	219325241	/nfs/dbraw/zinc/32/52/41/219325241.db2.gz	ZCSAVJRPGZHZHC-DNVCBOLYSA-N	0	3	356.378	2.871	50	5		FFBAHN
Cc1ccccc1OCCNc1cc(N2CCNCC2)ccc1[N+](=O)[O-]	ZINC000003903990	132385945	/nfs/dbraw/zinc/38/59/45/132385945.db2.gz	VXFJHTLURWORGX-UHFFFAOYSA-N	0	3	356.426	2.804	50	5		FFBAHN
C[C@H]1CN(c2ccc([N+](=O)[O-])c(NCCOc3ccccc3)c2)CCN1	ZINC000004180768	506364765	/nfs/dbraw/zinc/36/47/65/506364765.db2.gz	OAWBNSFACJTGRK-HNNXBMFYSA-N	0	3	356.426	2.884	50	5		FFBAHN
O=[N+]([O-])c1cc(SC(F)(F)F)cc([N+](=O)[O-])c1N1CCNCC1	ZINC000004185306	506364776	/nfs/dbraw/zinc/36/47/76/506364776.db2.gz	MUEVHWRZNRLOQA-UHFFFAOYSA-N	0	3	352.294	2.525	50	5		FFBAHN
COc1ccc(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)c([N+](=O)[O-])c1	ZINC000025313815	507488319	/nfs/dbraw/zinc/48/83/19/507488319.db2.gz	PASMYLWRVVMELS-OAHLLOKOSA-N	0	3	372.425	2.898	50	5		FFBAHN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc(N(C)C)nc1	ZINC000095446795	508186063	/nfs/dbraw/zinc/18/60/63/508186063.db2.gz	PHXVLODEKKRXIR-UHFFFAOYSA-N	0	3	371.441	2.825	50	5		FFBAHN
COc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)c([N+](=O)[O-])cc1OC	ZINC000010328088	204007412	/nfs/dbraw/zinc/00/74/12/204007412.db2.gz	KIFZVSJPJYRGDT-MRXNPFEDSA-N	0	3	373.409	2.645	50	5		FFBAHN
COc1ccc(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)c([N+](=O)[O-])c1	ZINC000025313817	507487530	/nfs/dbraw/zinc/48/75/30/507487530.db2.gz	PASMYLWRVVMELS-HNNXBMFYSA-N	0	3	372.425	2.898	50	5		FFBAHN
COc1ccc(CCNCc2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC	ZINC000019831486	507203125	/nfs/dbraw/zinc/20/31/25/507203125.db2.gz	GGEMUDOIUXRGDL-UHFFFAOYSA-N	0	3	360.366	2.673	50	5		FFBAHN
CN(C)CCOc1ccc2oc3ccc(OCCN(C)C)cc3c(=O)c2c1	ZINC000004392754	204137341	/nfs/dbraw/zinc/13/73/41/204137341.db2.gz	BUHPVKSIJYDUFM-UHFFFAOYSA-N	0	3	370.449	2.827	50	5		FFBAHN
O=C(CNCCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc([N+](=O)[O-])c1	ZINC000005799344	204226247	/nfs/dbraw/zinc/22/62/47/204226247.db2.gz	XPPQQBKYDCIWIE-UHFFFAOYSA-N	0	3	373.369	2.533	50	5		FFBAHN
CN(C)[C@@H](CNc1ncc([N+](=O)[O-])c(NC2CC2)n1)c1ccc(F)cc1	ZINC000040153852	205060325	/nfs/dbraw/zinc/06/03/25/205060325.db2.gz	XITHVQIUYVGJNJ-AWEZNQCLSA-N	0	3	360.393	2.813	50	5		FFBAHN
CCN(CC)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21	ZINC000021212888	507247361	/nfs/dbraw/zinc/24/73/61/507247361.db2.gz	UUEMALHWFHYAIF-UHFFFAOYSA-N	0	3	351.450	2.613	50	5		FFBAHN
O=C(Nc1ccccn1)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000052829141	205187956	/nfs/dbraw/zinc/18/79/56/205187956.db2.gz	STWMQHIGNNFSKD-UHFFFAOYSA-N	0	3	354.410	2.883	50	5		FFBAHN
CN(C)CCO[C@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000083851122	508258940	/nfs/dbraw/zinc/25/89/40/508258940.db2.gz	WUCRZOMGKLUXSP-LBPRGKRZSA-N	0	3	358.236	2.514	50	5		FFBAHN
CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1N(C)C	ZINC000089314131	507830113	/nfs/dbraw/zinc/83/01/13/507830113.db2.gz	FFYZJRFPVXYLGV-CHWSQXEVSA-N	0	3	358.851	2.758	50	5		FFBAHN
CN(C)[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)Cc1ccccc1	ZINC000067725863	506991160	/nfs/dbraw/zinc/99/11/60/506991160.db2.gz	BCGAAVLXDMFNFW-GOSISDBHSA-N	0	3	356.426	2.567	50	5		FFBAHN
CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N1CCc2ccccc2C1	ZINC000025918824	507545084	/nfs/dbraw/zinc/54/50/84/507545084.db2.gz	DGDDHWGQLRZTSD-LJQANCHMSA-N	0	3	370.453	2.746	50	5		FFBAHN
COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000000717583	506229688	/nfs/dbraw/zinc/22/96/88/506229688.db2.gz	SMALVOWJHUAQQT-UHFFFAOYSA-N	0	3	369.421	2.998	50	5		FFBAHN
CN(C)CCN(Cc1ccccc1)C(=O)CCNc1ccccc1[N+](=O)[O-]	ZINC000083851061	521750311	/nfs/dbraw/zinc/75/03/11/521750311.db2.gz	FEMNTLBVAHDTDR-UHFFFAOYSA-N	0	3	370.453	2.987	50	5		FFBAHN
CCN(CC)[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1	ZINC000010050361	207293806	/nfs/dbraw/zinc/29/38/06/207293806.db2.gz	KWHISAWUUAAIBH-SFHVURJKSA-N	0	3	356.426	2.990	50	5		FFBAHN
NC(=O)c1ccc(N[C@H](CN2CCCC2)c2ccccc2)c([N+](=O)[O-])c1	ZINC000040060985	208221281	/nfs/dbraw/zinc/22/12/81/208221281.db2.gz	MKOOLHWMOKSRSN-QGZVFWFLSA-N	0	3	354.410	2.943	50	5		FFBAHN
CN(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(Cl)cc1	ZINC000408518183	513084359	/nfs/dbraw/zinc/08/43/59/513084359.db2.gz	WGURNPHALYSAHF-ZDUSSCGKSA-N	0	3	364.833	2.662	50	5		FFBAHN
CC(C)c1ccc([C@@H](N)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000123747901	209359681	/nfs/dbraw/zinc/35/96/81/209359681.db2.gz	HTXUOBCJZKOCTN-KRWDZBQOSA-N	0	3	363.439	2.697	50	5		FFBAHN
CN1CCN(CCCNc2ccc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1	ZINC000040083155	208222944	/nfs/dbraw/zinc/22/29/44/208222944.db2.gz	KMJRGIFWQPGJOH-SFHVURJKSA-N	0	3	355.442	2.781	50	5		FFBAHN
CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N1CCc2ccccc2C1	ZINC000025918829	507544396	/nfs/dbraw/zinc/54/43/96/507544396.db2.gz	DGDDHWGQLRZTSD-IBGZPJMESA-N	0	3	370.453	2.746	50	5		FFBAHN
CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1N(C)C	ZINC000089314132	507829989	/nfs/dbraw/zinc/82/99/89/507829989.db2.gz	FFYZJRFPVXYLGV-QWHCGFSZSA-N	0	3	358.851	2.758	50	5		FFBAHN
O=C(Nc1ccncc1[N+](=O)[O-])NC1CCN(Cc2ccccc2)CC1	ZINC000095454808	209052783	/nfs/dbraw/zinc/05/27/83/209052783.db2.gz	FOHIPQNUCJZWEV-UHFFFAOYSA-N	0	3	355.398	2.776	50	5		FFBAHN
Cc1cc(N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)c2ccccc2n1	ZINC000024865591	507445411	/nfs/dbraw/zinc/44/54/11/507445411.db2.gz	JGGNJGLLMRGQBY-UHFFFAOYSA-N	0	3	352.398	2.512	50	5		FFBAHN
CCN(CC)[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1	ZINC000010050362	210862198	/nfs/dbraw/zinc/86/21/98/210862198.db2.gz	KWHISAWUUAAIBH-GOSISDBHSA-N	0	3	356.426	2.990	50	5		FFBAHN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1cnn(C)c1)C(C)C	ZINC000048333453	221008666	/nfs/dbraw/zinc/00/86/66/221008666.db2.gz	FEXQBTSAYCNGDG-UHFFFAOYSA-N	0	3	359.430	2.876	50	5		FFBAHN
CNc1ccc(C(=O)N(CCc2ccccc2)CCN(C)C)cc1[N+](=O)[O-]	ZINC000032933078	506314171	/nfs/dbraw/zinc/31/41/71/506314171.db2.gz	LRZBTXFOECNVSD-UHFFFAOYSA-N	0	3	370.453	2.883	50	5		FFBAHN
CC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004899673	506404983	/nfs/dbraw/zinc/40/49/83/506404983.db2.gz	YJTUIVMGRIFXTD-AWEZNQCLSA-N	0	3	366.418	2.556	50	5		FFBAHN
O=[N+]([O-])c1ccc(CNCCCSc2nnnn2-c2ccccc2)cc1	ZINC000007540452	506569520	/nfs/dbraw/zinc/56/95/20/506569520.db2.gz	NGFLYRBYIDBVOK-UHFFFAOYSA-N	0	3	370.438	2.843	50	5		FFBAHN
COc1cc([C@@H]2NC(=O)CCC2[N+](=O)[O-])ccc1OCc1ccccc1	ZINC000002503850	210403204	/nfs/dbraw/zinc/40/32/04/210403204.db2.gz	ZCSAVJRPGZHZHC-KXBFYZLASA-N	0	3	356.378	2.871	50	5		FFBAHN
CN(C)[C@H](CNc1ncc([N+](=O)[O-])c(NC2CC2)n1)c1ccc(F)cc1	ZINC000040153853	506475104	/nfs/dbraw/zinc/47/51/04/506475104.db2.gz	XITHVQIUYVGJNJ-CQSZACIVSA-N	0	3	360.393	2.813	50	5		FFBAHN
C[C@@H]1C[C@H](C)CN(CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1	ZINC000040110347	506467837	/nfs/dbraw/zinc/46/78/37/506467837.db2.gz	GDYNPVZLQVGWNT-IYBDPMFKSA-N	0	3	374.485	2.903	50	5		FFBAHN
CC(C)N(CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)C	ZINC000003887724	506352079	/nfs/dbraw/zinc/35/20/79/506352079.db2.gz	NJURBFCRMJARPD-UHFFFAOYSA-N	0	3	363.867	2.645	50	5		FFBAHN
NC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1	ZINC000170615009	222604090	/nfs/dbraw/zinc/60/40/90/222604090.db2.gz	PPKAIUHEUHNUNZ-GOSISDBHSA-N	0	3	371.418	2.726	50	5		FFBAHN
COc1cc([C@H]2NC(=O)CCC2[N+](=O)[O-])ccc1OCc1ccccc1	ZINC000000815841	219325270	/nfs/dbraw/zinc/32/52/70/219325270.db2.gz	ZCSAVJRPGZHZHC-HNAYVOBHSA-N	0	3	356.378	2.871	50	5		FFBAHN
COc1cc(CNCCc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC	ZINC000019721006	220291076	/nfs/dbraw/zinc/29/10/76/220291076.db2.gz	QSFYVLINSJJVSC-UHFFFAOYSA-N	0	3	360.366	2.673	50	5		FFBAHN
CCCN1CCC(NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)CC1	ZINC000005041906	506417526	/nfs/dbraw/zinc/41/75/26/506417526.db2.gz	UOYGKMLMBWYURW-UHFFFAOYSA-N	0	3	352.460	2.764	50	5		FFBAHN
Cc1ccc(-n2c(O)c3onc(-c4ccc([N+](=O)[O-])cc4)c3c2O)c(C)c1	ZINC000100886691	222256921	/nfs/dbraw/zinc/25/69/21/222256921.db2.gz	PEODFDAIUIXEHI-WBVHZDCISA-N	0	3	365.345	2.504	50	5		FFBAHN
CN(C)C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1	ZINC000040088346	506464654	/nfs/dbraw/zinc/46/46/54/506464654.db2.gz	ILEYBDMHZGXYLG-MAUKXSAKSA-N	0	3	372.425	2.628	50	5		FFBAHN
O=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccccc2)CC1	ZINC000002872513	506300496	/nfs/dbraw/zinc/30/04/96/506300496.db2.gz	TZOIMAXWWXASDX-UHFFFAOYSA-N	0	3	353.422	2.918	50	5		FFBAHN
O=C(CNCCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000005799434	506458182	/nfs/dbraw/zinc/45/81/82/506458182.db2.gz	GLKSKWLRJFBCEV-UHFFFAOYSA-N	0	3	373.369	2.533	50	5		FFBAHN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1cnn(C)c1)C(C)C	ZINC000058265212	221111317	/nfs/dbraw/zinc/11/13/17/221111317.db2.gz	TZJXMUPQRZNVFX-UHFFFAOYSA-N	0	3	359.430	2.876	50	5		FFBAHN
CN(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(Cl)cc1	ZINC000408518182	513084523	/nfs/dbraw/zinc/08/45/23/513084523.db2.gz	WGURNPHALYSAHF-CYBMUJFWSA-N	0	3	364.833	2.662	50	5		FFBAHN
COc1cccc(NC(=O)CNCCCNc2ccc([N+](=O)[O-])cc2)c1	ZINC000005798510	506457787	/nfs/dbraw/zinc/45/77/87/506457787.db2.gz	RDDXZALXBWEIIZ-UHFFFAOYSA-N	0	3	358.398	2.634	50	5		FFBAHN
O=c1cc(CNCCCN2CCOCC2)c2c(ccc3ccccc32)o1	ZINC000023717955	507368273	/nfs/dbraw/zinc/36/82/73/507368273.db2.gz	OFPBZNDLLMMCCZ-UHFFFAOYSA-N	0	3	352.434	2.758	50	5		FFBAHN
CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1N(C)C	ZINC000089314129	507829882	/nfs/dbraw/zinc/82/98/82/507829882.db2.gz	FFYZJRFPVXYLGV-STQMWFEESA-N	0	3	358.851	2.758	50	5		FFBAHN