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](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1	ZINC000024666670	567902788	/nfs/dbraw/zinc/90/27/88/567902788.db2.gz	YHIVGBKNBBCSIL-GDBMZVCRSA-N	1	0	351.406	4.677	20	5		FJBDRO
C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2noc3cc(F)ccc32)CC1	ZINC000568331512	568024882	/nfs/dbraw/zinc/02/48/82/568024882.db2.gz	DYGFTNXFDIVRFZ-CYBMUJFWSA-N	1	0	369.396	4.816	20	5		FJBDRO
Cc1ccccc1C1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCOCC1	ZINC000481546075	568049641	/nfs/dbraw/zinc/04/96/41/568049641.db2.gz	OVOALMBKWDOKDF-GOSISDBHSA-N	1	0	368.477	4.611	20	5		FJBDRO
Cc1cc(Br)cc(C)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000481723436	568098147	/nfs/dbraw/zinc/09/81/47/568098147.db2.gz	DBUKSCODAAYPIU-ZDUSSCGKSA-N	1	0	363.255	4.825	20	5		FJBDRO
COc1ccc([C@@H](Cc2ccccc2)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000568699164	568131593	/nfs/dbraw/zinc/13/15/93/568131593.db2.gz	HODADCLMPVUEFM-JOCHJYFZSA-N	1	0	362.429	4.677	20	5		FJBDRO
Cc1ccc(-c2nc(CC[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)co2)cc1	ZINC000482014997	568230688	/nfs/dbraw/zinc/23/06/88/568230688.db2.gz	KSMVOXSXHZJSRG-INIZCTEOSA-N	1	0	365.433	4.760	20	5		FJBDRO
C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1	ZINC000482099714	568268156	/nfs/dbraw/zinc/26/81/56/568268156.db2.gz	NLKCAJRSSZBCGV-KFWWJZLASA-N	1	0	360.479	4.932	20	5		FJBDRO
C[C@@H]([NH2+]Cc1ccnc(OC2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000482131104	568269904	/nfs/dbraw/zinc/26/99/04/568269904.db2.gz	WGAHYFQNZOSLTE-OAHLLOKOSA-N	1	0	355.438	4.552	20	5		FJBDRO
Cc1c([C@@H](C)[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)cccc1[N+](=O)[O-]	ZINC000482121975	568281177	/nfs/dbraw/zinc/28/11/77/568281177.db2.gz	FBLUSBYMYPSZQA-IAGOWNOFSA-N	1	0	373.522	4.528	20	5		FJBDRO
CSc1ccccc1C[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000569269581	568323947	/nfs/dbraw/zinc/32/39/47/568323947.db2.gz	YEKFSLNDKPTIQV-AWEZNQCLSA-N	1	0	369.490	4.561	20	5		FJBDRO
COC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1	ZINC000569848228	568428848	/nfs/dbraw/zinc/42/88/48/568428848.db2.gz	PODNVIFMFBKKFN-OALUTQOASA-N	1	0	360.841	4.603	20	5		FJBDRO
CC[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1cccc([N+](=O)[O-])c1	ZINC000482251910	568529134	/nfs/dbraw/zinc/52/91/34/568529134.db2.gz	GLHRZXSSGLENJN-INIZCTEOSA-N	1	0	359.495	4.604	20	5		FJBDRO
Clc1ccc2ccc3ccc(N4CC[NH+](C5CCCC5)CC4)nc3c2n1	ZINC001165027955	721856878	/nfs/dbraw/zinc/85/68/78/721856878.db2.gz	DQVGCBLPENSDRP-UHFFFAOYSA-N	1	0	366.896	4.501	20	5		FJBDRO
COc1ccc([C@@H](C)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c(C)c1OC	ZINC000568076772	567850455	/nfs/dbraw/zinc/85/04/55/567850455.db2.gz	XBWVPCXRZYSCCK-GDBMZVCRSA-N	1	0	372.465	4.592	20	5		FJBDRO
C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2noc3cc(F)ccc32)CC1	ZINC000568331448	568024864	/nfs/dbraw/zinc/02/48/64/568024864.db2.gz	ACOTZNIVUUKRAK-CYBMUJFWSA-N	1	0	369.396	4.816	20	5		FJBDRO
Cc1c([C@@H](C)[NH2+]Cc2ccnc(OC3CCCCC3)c2)cccc1[N+](=O)[O-]	ZINC000482120008	568280525	/nfs/dbraw/zinc/28/05/25/568280525.db2.gz	IHBVZPNRQVOQDT-MRXNPFEDSA-N	1	0	369.465	4.861	20	5		FJBDRO
Cc1c([C@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)cccc1[N+](=O)[O-]	ZINC000482121976	568281125	/nfs/dbraw/zinc/28/11/25/568281125.db2.gz	FBLUSBYMYPSZQA-IRXDYDNUSA-N	1	0	373.522	4.528	20	5		FJBDRO
C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc2ccccc2n1	ZINC000569267619	568323806	/nfs/dbraw/zinc/32/38/06/568323806.db2.gz	DYCWARKUIZGNKV-CQSZACIVSA-N	1	0	360.417	4.518	20	5		FJBDRO
O=[N+]([O-])c1cccc(C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)c1	ZINC000108085602	206028219	/nfs/dbraw/zinc/02/82/19/206028219.db2.gz	ZIOGRXVCHJYNIW-UHFFFAOYSA-N	1	0	350.340	4.778	20	5		FJBDRO
C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)s1	ZINC000038003434	211342863	/nfs/dbraw/zinc/34/28/63/211342863.db2.gz	RQBXWYPOYCGJPW-NXEZZACHSA-N	1	0	355.257	4.831	20	5		FJBDRO
COc1ccc(CN2CCC[C@H]2c2nc3ccccc3s2)cc1[N+](=O)[O-]	ZINC000051427785	567878949	/nfs/dbraw/zinc/87/89/49/567878949.db2.gz	MOFGQFHSKCRCAR-HNNXBMFYSA-N	1	0	369.446	4.550	20	5		FJBDRO
C[C@H](C[C@H]1CCCO1)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1	ZINC000482099717	568268222	/nfs/dbraw/zinc/26/82/22/568268222.db2.gz	NLKCAJRSSZBCGV-QLFBSQMISA-N	1	0	360.479	4.932	20	5		FJBDRO
Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(OC3CCCCC3)c2)cc1[N+](=O)[O-]	ZINC000482123632	568273044	/nfs/dbraw/zinc/27/30/44/568273044.db2.gz	PRPUUOPLJBSCJL-MRXNPFEDSA-N	1	0	369.465	4.861	20	5		FJBDRO
CSc1ccccc1C[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000569269582	568323960	/nfs/dbraw/zinc/32/39/60/568323960.db2.gz	YEKFSLNDKPTIQV-CQSZACIVSA-N	1	0	369.490	4.561	20	5		FJBDRO
Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)s2)cc1[N+](=O)[O-]	ZINC000038018474	211354321	/nfs/dbraw/zinc/35/43/21/211354321.db2.gz	UVJTWXVLMPJHOH-SNVBAGLBSA-N	1	0	355.257	4.578	20	5		FJBDRO
COc1ccc([C@H](C)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c(C)c1OC	ZINC000568076774	567850418	/nfs/dbraw/zinc/85/04/18/567850418.db2.gz	XBWVPCXRZYSCCK-HOCLYGCPSA-N	1	0	372.465	4.592	20	5		FJBDRO
O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1N1CCCCC1)CCC2	ZINC000568471872	568041589	/nfs/dbraw/zinc/04/15/89/568041589.db2.gz	XIORVVRCGHCYOD-OAQYLSRUSA-N	1	0	365.477	4.752	20	5		FJBDRO
O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCOc3cc(F)ccc31)CCC2	ZINC000568471543	568041615	/nfs/dbraw/zinc/04/16/15/568041615.db2.gz	DGQCRCZODNSVAD-RBUKOAKNSA-N	1	0	356.397	4.615	20	5		FJBDRO
CC[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1	ZINC000482131317	568269984	/nfs/dbraw/zinc/26/99/84/568269984.db2.gz	XSRCTJACXPHEJJ-JXFKEZNVSA-N	1	0	373.522	4.609	20	5		FJBDRO
COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c(C(F)(F)F)c1	ZINC000482108427	568275425	/nfs/dbraw/zinc/27/54/25/568275425.db2.gz	ZJOHPWPWPSOTJP-LBPRGKRZSA-N	1	0	368.355	4.781	20	5		FJBDRO
Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)cccc1[N+](=O)[O-]	ZINC000482121977	568281208	/nfs/dbraw/zinc/28/12/08/568281208.db2.gz	FBLUSBYMYPSZQA-SJORKVTESA-N	1	0	373.522	4.528	20	5		FJBDRO
CC[NH+](CC)C1CCN(c2ccc3ccc4ccc(Cl)nc4c3n2)CC1	ZINC001165054353	722003383	/nfs/dbraw/zinc/00/33/83/722003383.db2.gz	ZDKPOYRDOGAKHZ-UHFFFAOYSA-N	1	0	368.912	4.747	20	5		FJBDRO
O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCOc3cc(F)ccc31)CCC2	ZINC000568471541	568041587	/nfs/dbraw/zinc/04/15/87/568041587.db2.gz	DGQCRCZODNSVAD-MOPGFXCFSA-N	1	0	356.397	4.615	20	5		FJBDRO
Cc1cc(Br)cc(C)c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000481723435	568098244	/nfs/dbraw/zinc/09/82/44/568098244.db2.gz	DBUKSCODAAYPIU-CYBMUJFWSA-N	1	0	363.255	4.825	20	5		FJBDRO
C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(N2CCCC2)c1	ZINC000568662991	568109280	/nfs/dbraw/zinc/10/92/80/568109280.db2.gz	PLQJAWPIVSDKAH-FOIQADDNSA-N	1	0	351.450	4.533	20	5		FJBDRO
CC[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1	ZINC000482131318	568269943	/nfs/dbraw/zinc/26/99/43/568269943.db2.gz	XSRCTJACXPHEJJ-OXJNMPFZSA-N	1	0	373.522	4.609	20	5		FJBDRO
Cc1ccc2c(CC[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)c[nH]c2c1	ZINC000482139555	568287817	/nfs/dbraw/zinc/28/78/17/568287817.db2.gz	USSWRHFJZBUCDC-FQEVSTJZSA-N	1	0	363.461	4.538	20	5		FJBDRO
C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc2ccccc2n1	ZINC000569267617	568323835	/nfs/dbraw/zinc/32/38/35/568323835.db2.gz	DYCWARKUIZGNKV-AWEZNQCLSA-N	1	0	360.417	4.518	20	5		FJBDRO
CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)c1cccnc1	ZINC000569392372	568400266	/nfs/dbraw/zinc/40/02/66/568400266.db2.gz	HNJZJXFYBLYLDH-HNNXBMFYSA-N	1	0	351.406	4.833	20	5		FJBDRO
CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)c1cccnc1	ZINC000569392373	568400289	/nfs/dbraw/zinc/40/02/89/568400289.db2.gz	HNJZJXFYBLYLDH-OAHLLOKOSA-N	1	0	351.406	4.833	20	5		FJBDRO
c1cnc2c(c1)ccc1ccc(N3CCCC[C@H]3CC[NH+]3CCCC3)nc12	ZINC001165047685	721967828	/nfs/dbraw/zinc/96/78/28/721967828.db2.gz	LNBNVLLHVLJRRP-FQEVSTJZSA-N	1	0	360.505	4.628	20	5		FJBDRO
O=[N+]([O-])c1cc(C[N@@H+]2CCCCC[C@H]2c2ccccc2)c2c(c1)COCO2	ZINC000521425875	568004399	/nfs/dbraw/zinc/00/43/99/568004399.db2.gz	PMIHXIHGXWNDJV-FQEVSTJZSA-N	1	0	368.433	4.579	20	5		FJBDRO
O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](c4ccc(F)cc4)CC3)nc2c1	ZINC000481520295	568005511	/nfs/dbraw/zinc/00/55/11/568005511.db2.gz	VMWQTKDGKSUQFO-CQSZACIVSA-N	1	0	369.396	4.645	20	5		FJBDRO
Cc1ccc(C[NH2+][C@@H](C)c2ccc(Oc3cccnc3)cc2)cc1[N+](=O)[O-]	ZINC000568439058	568038238	/nfs/dbraw/zinc/03/82/38/568038238.db2.gz	WUVUGDJEKNDHTE-INIZCTEOSA-N	1	0	363.417	4.941	20	5		FJBDRO
Cc1ccccc1C1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCOCC1	ZINC000481546078	568051118	/nfs/dbraw/zinc/05/11/18/568051118.db2.gz	OVOALMBKWDOKDF-SFHVURJKSA-N	1	0	368.477	4.611	20	5		FJBDRO
C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(N2CCCC2)c1	ZINC000568662992	568109330	/nfs/dbraw/zinc/10/93/30/568109330.db2.gz	PLQJAWPIVSDKAH-MGPUTAFESA-N	1	0	351.450	4.533	20	5		FJBDRO
Cc1ccc(-c2nc(CC[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)co2)cc1	ZINC000482015000	568230658	/nfs/dbraw/zinc/23/06/58/568230658.db2.gz	KSMVOXSXHZJSRG-MRXNPFEDSA-N	1	0	365.433	4.760	20	5		FJBDRO
COc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C(F)(F)F)c1	ZINC000482106525	568275203	/nfs/dbraw/zinc/27/52/03/568275203.db2.gz	UJLXYSCRGDGSBK-GFCCVEGCSA-N	1	0	368.355	4.781	20	5		FJBDRO
CC[C@H]([NH2+]Cc1ccc(OC)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1	ZINC000482107733	568275380	/nfs/dbraw/zinc/27/53/80/568275380.db2.gz	XORWELWPLAWCDA-KRWDZBQOSA-N	1	0	368.355	4.863	20	5		FJBDRO
Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)cc1[N+](=O)[O-]	ZINC000482123074	568275996	/nfs/dbraw/zinc/27/59/96/568275996.db2.gz	GTTCVLIMPAUHCJ-DLBZAZTESA-N	1	0	373.522	4.528	20	5		FJBDRO
Cc1c([C@@H](C)[NH2+]CCCc2nc3c(s2)CCCC3)cccc1[N+](=O)[O-]	ZINC000482240926	568516603	/nfs/dbraw/zinc/51/66/03/568516603.db2.gz	CYUGOZVUMFWRSU-CQSZACIVSA-N	1	0	359.495	4.522	20	5		FJBDRO
Cc1ccc([C@@H](C)[NH2+]CCCc2nc3c(s2)CCCC3)cc1[N+](=O)[O-]	ZINC000482251210	568528822	/nfs/dbraw/zinc/52/88/22/568528822.db2.gz	WZHKEHJISPXLRB-CQSZACIVSA-N	1	0	359.495	4.522	20	5		FJBDRO
C[NH+](C)Cc1cccc(NC(=O)c2cc3ccccc3c3cccnc23)c1	ZINC000049695973	568567291	/nfs/dbraw/zinc/56/72/91/568567291.db2.gz	SLGRVCFYWGMUSJ-UHFFFAOYSA-N	1	0	355.441	4.702	20	5		FJBDRO
Cc1ccc([C@H](C)[NH2+]Cc2ccc(Br)s2)cc1[N+](=O)[O-]	ZINC000038018475	211354056	/nfs/dbraw/zinc/35/40/56/211354056.db2.gz	UVJTWXVLMPJHOH-JTQLQIEISA-N	1	0	355.257	4.578	20	5		FJBDRO
C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)s1	ZINC000038003431	211342434	/nfs/dbraw/zinc/34/24/34/211342434.db2.gz	RQBXWYPOYCGJPW-UWVGGRQHSA-N	1	0	355.257	4.831	20	5		FJBDRO
COc1ccc([C@@H](C)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c(C)c1OC	ZINC000568076773	567850406	/nfs/dbraw/zinc/85/04/06/567850406.db2.gz	XBWVPCXRZYSCCK-GOEBONIOSA-N	1	0	372.465	4.592	20	5		FJBDRO
COc1ccc(C[NH2+][C@@H]2CCCc3c4cc(C)ccc4[nH]c32)cc1[N+](=O)[O-]	ZINC000568808715	568229315	/nfs/dbraw/zinc/22/93/15/568229315.db2.gz	GXFXTYZVLXYCMK-GOSISDBHSA-N	1	0	365.433	4.560	20	5		FJBDRO
CC(C)(C)c1csc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1	ZINC000569067954	568270367	/nfs/dbraw/zinc/27/03/67/568270367.db2.gz	NVKZQSFANURCLZ-INIZCTEOSA-N	1	0	359.495	4.559	20	5		FJBDRO
COC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1	ZINC000569848230	568428856	/nfs/dbraw/zinc/42/88/56/568428856.db2.gz	PODNVIFMFBKKFN-RTBURBONSA-N	1	0	360.841	4.603	20	5		FJBDRO
CC[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1cccc([N+](=O)[O-])c1	ZINC000482251911	568529140	/nfs/dbraw/zinc/52/91/40/568529140.db2.gz	GLHRZXSSGLENJN-MRXNPFEDSA-N	1	0	359.495	4.604	20	5		FJBDRO
CC(C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1	ZINC000568308544	568018778	/nfs/dbraw/zinc/01/87/78/568018778.db2.gz	HBVPTSLFNJKGTL-GOSISDBHSA-N	1	0	358.829	4.611	20	5		FJBDRO
O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCOc3cc(F)ccc31)CCC2	ZINC000568471542	568041625	/nfs/dbraw/zinc/04/16/25/568041625.db2.gz	DGQCRCZODNSVAD-OALUTQOASA-N	1	0	356.397	4.615	20	5		FJBDRO
Cc1ccc([C@H](C)[NH2+]CC2(c3ccccc3C)CCOCC2)cc1[N+](=O)[O-]	ZINC000481539613	568043566	/nfs/dbraw/zinc/04/35/66/568043566.db2.gz	DRPGVBSCGVRFGH-SFHVURJKSA-N	1	0	368.477	4.611	20	5		FJBDRO
O=[N+]([O-])c1cc(C[NH2+][C@@H](c2cccnc2)C2CCC2)cc(C(F)(F)F)c1	ZINC000482000127	568220140	/nfs/dbraw/zinc/22/01/40/568220140.db2.gz	RHIRRMVNOSEHAL-QGZVFWFLSA-N	1	0	365.355	4.640	20	5		FJBDRO
Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000568910394	568251940	/nfs/dbraw/zinc/25/19/40/568251940.db2.gz	BJFXEVHTOGTOGP-GFCCVEGCSA-N	1	0	372.494	4.858	20	5		FJBDRO
C[C@H]([NH2+]Cc1ccnc(OC2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000482131101	568269941	/nfs/dbraw/zinc/26/99/41/568269941.db2.gz	WGAHYFQNZOSLTE-HNNXBMFYSA-N	1	0	355.438	4.552	20	5		FJBDRO
CC[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1	ZINC000482131319	568269964	/nfs/dbraw/zinc/26/99/64/568269964.db2.gz	XSRCTJACXPHEJJ-OXQOHEQNSA-N	1	0	373.522	4.609	20	5		FJBDRO
Cc1c([C@H](C)[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)cccc1[N+](=O)[O-]	ZINC000482121974	568281216	/nfs/dbraw/zinc/28/12/16/568281216.db2.gz	FBLUSBYMYPSZQA-DLBZAZTESA-N	1	0	373.522	4.528	20	5		FJBDRO
Cc1ccc2c(CC[NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)c[nH]c2c1	ZINC000482139556	568287819	/nfs/dbraw/zinc/28/78/19/568287819.db2.gz	USSWRHFJZBUCDC-HXUWFJFHSA-N	1	0	363.461	4.538	20	5		FJBDRO
c1cnc2c(c1)ccc1ccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nc12	ZINC001165047686	721967889	/nfs/dbraw/zinc/96/78/89/721967889.db2.gz	LNBNVLLHVLJRRP-HXUWFJFHSA-N	1	0	360.505	4.628	20	5		FJBDRO
CC[C@H]([NH2+]CC1(c2ccccc2C)CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC000481550717	568049943	/nfs/dbraw/zinc/04/99/43/568049943.db2.gz	DVVALHOPNHYGNK-NRFANRHFSA-N	1	0	368.477	4.692	20	5		FJBDRO
C[C@@H]([NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000481740502	568099767	/nfs/dbraw/zinc/09/97/67/568099767.db2.gz	VQPKGSKAVCJKKK-MRXNPFEDSA-N	1	0	372.428	4.785	20	5		FJBDRO
C[C@H]([NH2+][C@H]1CCCc2cc(OC(F)F)ccc21)c1ccc([N+](=O)[O-])cc1	ZINC000481734683	568099841	/nfs/dbraw/zinc/09/98/41/568099841.db2.gz	LCKRFGYPMJOGRF-SGTLLEGYSA-N	1	0	362.376	4.924	20	5		FJBDRO
O=[N+]([O-])c1cc(C[NH2+][C@H](c2cccnc2)C2CCC2)cc(C(F)(F)F)c1	ZINC000482000126	568220142	/nfs/dbraw/zinc/22/01/42/568220142.db2.gz	RHIRRMVNOSEHAL-KRWDZBQOSA-N	1	0	365.355	4.640	20	5		FJBDRO
C[N@H+](Cc1ccccc1NCc1cccc([N+](=O)[O-])c1)C1CCCCC1	ZINC000302832197	568239162	/nfs/dbraw/zinc/23/91/62/568239162.db2.gz	GRCQLUBUVALSRP-UHFFFAOYSA-N	1	0	353.466	4.971	20	5		FJBDRO
C[C@H](C[C@H]1CCCO1)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1	ZINC000482099719	568268214	/nfs/dbraw/zinc/26/82/14/568268214.db2.gz	NLKCAJRSSZBCGV-RBSFLKMASA-N	1	0	360.479	4.932	20	5		FJBDRO
Cc1ccc([C@H](C)[NH2+]Cc2ccnc(OC3CCCCC3)c2)cc1[N+](=O)[O-]	ZINC000482123630	568273078	/nfs/dbraw/zinc/27/30/78/568273078.db2.gz	PRPUUOPLJBSCJL-INIZCTEOSA-N	1	0	369.465	4.861	20	5		FJBDRO
CC[C@@H]([NH2+]Cc1ccc(OC)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1	ZINC000482107734	568275376	/nfs/dbraw/zinc/27/53/76/568275376.db2.gz	XORWELWPLAWCDA-QGZVFWFLSA-N	1	0	368.355	4.863	20	5		FJBDRO
COC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1	ZINC000569848227	568428881	/nfs/dbraw/zinc/42/88/81/568428881.db2.gz	PODNVIFMFBKKFN-MOPGFXCFSA-N	1	0	360.841	4.603	20	5		FJBDRO
C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(C(F)(F)F)cc1	ZINC000568403375	568030542	/nfs/dbraw/zinc/03/05/42/568030542.db2.gz	WDZLCZAALQYOGY-JTQLQIEISA-N	1	0	365.311	4.606	20	5		FJBDRO
Cc1ccc(C[NH2+][C@H](C)c2ccc(Oc3cccnc3)cc2)cc1[N+](=O)[O-]	ZINC000568439059	568038210	/nfs/dbraw/zinc/03/82/10/568038210.db2.gz	WUVUGDJEKNDHTE-MRXNPFEDSA-N	1	0	363.417	4.941	20	5		FJBDRO
CC[C@@H]([NH2+]CC1(c2ccccc2C)CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC000481550719	568050061	/nfs/dbraw/zinc/05/00/61/568050061.db2.gz	DVVALHOPNHYGNK-OAQYLSRUSA-N	1	0	368.477	4.692	20	5		FJBDRO
C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1	ZINC000482099711	568268218	/nfs/dbraw/zinc/26/82/18/568268218.db2.gz	NLKCAJRSSZBCGV-ILXRZTDVSA-N	1	0	360.479	4.932	20	5		FJBDRO
COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c(C(F)(F)F)c1	ZINC000482108426	568275444	/nfs/dbraw/zinc/27/54/44/568275444.db2.gz	ZJOHPWPWPSOTJP-GFCCVEGCSA-N	1	0	368.355	4.781	20	5		FJBDRO
Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)cc1[N+](=O)[O-]	ZINC000482123078	568276035	/nfs/dbraw/zinc/27/60/35/568276035.db2.gz	GTTCVLIMPAUHCJ-IAGOWNOFSA-N	1	0	373.522	4.528	20	5		FJBDRO
Cc1c([C@H](C)[NH2+]Cc2ccnc(OC3CCCCC3)c2)cccc1[N+](=O)[O-]	ZINC000482120007	568280543	/nfs/dbraw/zinc/28/05/43/568280543.db2.gz	IHBVZPNRQVOQDT-INIZCTEOSA-N	1	0	369.465	4.861	20	5		FJBDRO
CCC(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000569753464	568420125	/nfs/dbraw/zinc/42/01/25/568420125.db2.gz	ULDWXGZTXIUFSR-UHFFFAOYSA-N	1	0	367.243	4.896	20	5		FJBDRO
O=[N+]([O-])c1ccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c(Cl)c1	ZINC000068836721	221319319	/nfs/dbraw/zinc/31/93/19/221319319.db2.gz	UZAUYHZQVHLQRE-HNNXBMFYSA-N	1	0	351.859	4.559	20	5		FJBDRO
CCC[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1	ZINC000481410462	567904823	/nfs/dbraw/zinc/90/48/23/567904823.db2.gz	CHGBAYUEPPPCIM-QGZVFWFLSA-N	1	0	352.438	4.535	20	5		FJBDRO
CC(C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1	ZINC000568308545	568018809	/nfs/dbraw/zinc/01/88/09/568018809.db2.gz	HBVPTSLFNJKGTL-SFHVURJKSA-N	1	0	358.829	4.611	20	5		FJBDRO
O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1N1CCCCC1)CCC2	ZINC000568471871	568041582	/nfs/dbraw/zinc/04/15/82/568041582.db2.gz	XIORVVRCGHCYOD-NRFANRHFSA-N	1	0	365.477	4.752	20	5		FJBDRO
C[C@@H]([NH2+][C@H]1CCCc2cc(OC(F)F)ccc21)c1ccc([N+](=O)[O-])cc1	ZINC000481734685	568100164	/nfs/dbraw/zinc/10/01/64/568100164.db2.gz	LCKRFGYPMJOGRF-XIKOKIGWSA-N	1	0	362.376	4.924	20	5		FJBDRO
C[C@H]([NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000481740499	568100169	/nfs/dbraw/zinc/10/01/69/568100169.db2.gz	VQPKGSKAVCJKKK-INIZCTEOSA-N	1	0	372.428	4.785	20	5		FJBDRO
O=[N+]([O-])c1ccc(C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)c(F)c1	ZINC000481812486	568132277	/nfs/dbraw/zinc/13/22/77/568132277.db2.gz	MXLZDZROGDTFJP-UHFFFAOYSA-N	1	0	352.768	4.504	20	5		FJBDRO
Cc1ccc(-c2nc(CC[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)co2)cc1	ZINC000482020980	568228492	/nfs/dbraw/zinc/22/84/92/568228492.db2.gz	JPWLBIUHJMPGMZ-MRXNPFEDSA-N	1	0	365.433	4.760	20	5		FJBDRO
COc1ccc(C[NH2+][C@H]2CCCc3c4cc(C)ccc4[nH]c32)cc1[N+](=O)[O-]	ZINC000568808716	568229293	/nfs/dbraw/zinc/22/92/93/568229293.db2.gz	GXFXTYZVLXYCMK-SFHVURJKSA-N	1	0	365.433	4.560	20	5		FJBDRO
CC[C@@H]([NH2+]CCc1coc(-c2ccc(C)cc2)n1)c1cccc([N+](=O)[O-])c1	ZINC000482026175	568232271	/nfs/dbraw/zinc/23/22/71/568232271.db2.gz	NEVBVVMZHNAZNG-HXUWFJFHSA-N	1	0	365.433	4.842	20	5		FJBDRO
O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)cc1	ZINC000609484520	568344754	/nfs/dbraw/zinc/34/47/54/568344754.db2.gz	YHBGBKAOYXUAQV-OAQYLSRUSA-N	1	0	350.393	4.656	20	5		FJBDRO
COC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1	ZINC000569848229	568428888	/nfs/dbraw/zinc/42/88/88/568428888.db2.gz	PODNVIFMFBKKFN-RBUKOAKNSA-N	1	0	360.841	4.603	20	5		FJBDRO
O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](c4ccc(F)cc4)CC3)nc2c1	ZINC000481520293	568004205	/nfs/dbraw/zinc/00/42/05/568004205.db2.gz	VMWQTKDGKSUQFO-AWEZNQCLSA-N	1	0	369.396	4.645	20	5		FJBDRO
CC(C)[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cccnc1	ZINC000568933056	568253565	/nfs/dbraw/zinc/25/35/65/568253565.db2.gz	CPAHNWAERAITMI-UHFFFAOYSA-N	1	0	351.406	4.660	20	5		FJBDRO
CC[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1	ZINC000482131320	568269926	/nfs/dbraw/zinc/26/99/26/568269926.db2.gz	XSRCTJACXPHEJJ-UZLBHIALSA-N	1	0	373.522	4.609	20	5		FJBDRO
COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C(F)(F)F)c1	ZINC000482106529	568275114	/nfs/dbraw/zinc/27/51/14/568275114.db2.gz	UJLXYSCRGDGSBK-LBPRGKRZSA-N	1	0	368.355	4.781	20	5		FJBDRO
Cc1c([C@@H](C)N[C@H](C)c2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-]	ZINC000279166683	567945887	/nfs/dbraw/zinc/94/58/87/567945887.db2.gz	BWZBYPLFFLYBFU-NXEZZACHSA-N	1	0	359.373	4.790	20	5		FJBDRO
C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2noc3cc(F)ccc32)CC1	ZINC000568331449	568024841	/nfs/dbraw/zinc/02/48/41/568024841.db2.gz	ACOTZNIVUUKRAK-ZDUSSCGKSA-N	1	0	369.396	4.816	20	5		FJBDRO
O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCOc3cc(F)ccc31)CCC2	ZINC000568471544	568041618	/nfs/dbraw/zinc/04/16/18/568041618.db2.gz	DGQCRCZODNSVAD-RTBURBONSA-N	1	0	356.397	4.615	20	5		FJBDRO
Cc1c([C@H](C)[NH2+]CCCc2nc3c(s2)CCCC3)cccc1[N+](=O)[O-]	ZINC000482240925	568516510	/nfs/dbraw/zinc/51/65/10/568516510.db2.gz	CYUGOZVUMFWRSU-AWEZNQCLSA-N	1	0	359.495	4.522	20	5		FJBDRO
C[N@H+](CCc1ccc(Cl)cc1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000541844567	567965380	/nfs/dbraw/zinc/96/53/80/567965380.db2.gz	PRLSGQAZJJEMAT-UHFFFAOYSA-N	1	0	371.824	4.578	20	5		FJBDRO
CCC[C@]1(C)CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1	ZINC000072896197	568015210	/nfs/dbraw/zinc/01/52/10/568015210.db2.gz	XMSXMGAKPLTOSD-IFXJQAMLSA-N	1	0	358.442	4.608	20	5		FJBDRO
C[C@H]([NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccc([N+](=O)[O-])cc1	ZINC000481734681	568099826	/nfs/dbraw/zinc/09/98/26/568099826.db2.gz	LCKRFGYPMJOGRF-KPZWWZAWSA-N	1	0	362.376	4.924	20	5		FJBDRO
C[C@@H]([NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccc([N+](=O)[O-])cc1	ZINC000481734682	568100048	/nfs/dbraw/zinc/10/00/48/568100048.db2.gz	LCKRFGYPMJOGRF-KZULUSFZSA-N	1	0	362.376	4.924	20	5		FJBDRO
O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(c4ccc(Cl)cc4)CC3)nc2c1	ZINC000481833726	568147507	/nfs/dbraw/zinc/14/75/07/568147507.db2.gz	FYKYFPHSLYAQRU-UHFFFAOYSA-N	1	0	371.824	4.769	20	5		FJBDRO
Cc1ccc(-c2nc(CC[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)co2)cc1	ZINC000482020979	568228475	/nfs/dbraw/zinc/22/84/75/568228475.db2.gz	JPWLBIUHJMPGMZ-INIZCTEOSA-N	1	0	365.433	4.760	20	5		FJBDRO
CC(C)(C)c1csc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1	ZINC000569067955	568270304	/nfs/dbraw/zinc/27/03/04/568270304.db2.gz	NVKZQSFANURCLZ-MRXNPFEDSA-N	1	0	359.495	4.559	20	5		FJBDRO
Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)cc1[N+](=O)[O-]	ZINC000482123081	568276014	/nfs/dbraw/zinc/27/60/14/568276014.db2.gz	GTTCVLIMPAUHCJ-IRXDYDNUSA-N	1	0	373.522	4.528	20	5		FJBDRO
Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)cc1[N+](=O)[O-]	ZINC000482123083	568276070	/nfs/dbraw/zinc/27/60/70/568276070.db2.gz	GTTCVLIMPAUHCJ-SJORKVTESA-N	1	0	373.522	4.528	20	5		FJBDRO
Cc1c(C[NH+]2CCC(c3nc4ccccc4s3)CC2)cccc1[N+](=O)[O-]	ZINC000071951143	221389924	/nfs/dbraw/zinc/38/99/24/221389924.db2.gz	SOIQSTVZHPDBMU-UHFFFAOYSA-N	1	0	367.474	4.893	20	5		FJBDRO
COc1ccc([C@H](C)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c(C)c1OC	ZINC000568076775	567850417	/nfs/dbraw/zinc/85/04/17/567850417.db2.gz	XBWVPCXRZYSCCK-ZBFHGGJFSA-N	1	0	372.465	4.592	20	5		FJBDRO
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1	ZINC000024666676	567902800	/nfs/dbraw/zinc/90/28/00/567902800.db2.gz	YHIVGBKNBBCSIL-GOEBONIOSA-N	1	0	351.406	4.677	20	5		FJBDRO
C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(N2CCCC2)c1	ZINC000568662994	568109290	/nfs/dbraw/zinc/10/92/90/568109290.db2.gz	PLQJAWPIVSDKAH-YWZLYKJASA-N	1	0	351.450	4.533	20	5		FJBDRO
C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(N2CCCC2)c1	ZINC000568662993	568109302	/nfs/dbraw/zinc/10/93/02/568109302.db2.gz	PLQJAWPIVSDKAH-QRWLVFNGSA-N	1	0	351.450	4.533	20	5		FJBDRO
CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	ZINC000604419166	568276453	/nfs/dbraw/zinc/27/64/53/568276453.db2.gz	YPSUMKYHFZRUSL-HZPDHXFCSA-N	1	0	372.465	4.707	20	5		FJBDRO
CCC[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1	ZINC000481410461	567904593	/nfs/dbraw/zinc/90/45/93/567904593.db2.gz	CHGBAYUEPPPCIM-KRWDZBQOSA-N	1	0	352.438	4.535	20	5		FJBDRO
CCC[C@@]1(C)CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1	ZINC000072896198	568015243	/nfs/dbraw/zinc/01/52/43/568015243.db2.gz	XMSXMGAKPLTOSD-LIRRHRJNSA-N	1	0	358.442	4.608	20	5		FJBDRO
C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2noc3cc(F)ccc32)CC1	ZINC000568331513	568024886	/nfs/dbraw/zinc/02/48/86/568024886.db2.gz	DYGFTNXFDIVRFZ-ZDUSSCGKSA-N	1	0	369.396	4.816	20	5		FJBDRO
Cc1ccc([C@@H](C)[NH2+]CC2(c3ccccc3C)CCOCC2)cc1[N+](=O)[O-]	ZINC000481539608	568034962	/nfs/dbraw/zinc/03/49/62/568034962.db2.gz	DRPGVBSCGVRFGH-GOSISDBHSA-N	1	0	368.477	4.611	20	5		FJBDRO
COc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000568699165	568131596	/nfs/dbraw/zinc/13/15/96/568131596.db2.gz	HODADCLMPVUEFM-QFIPXVFZSA-N	1	0	362.429	4.677	20	5		FJBDRO
CC[C@H]([NH2+]CCc1coc(-c2ccc(C)cc2)n1)c1cccc([N+](=O)[O-])c1	ZINC000482026174	568232252	/nfs/dbraw/zinc/23/22/52/568232252.db2.gz	NEVBVVMZHNAZNG-FQEVSTJZSA-N	1	0	365.433	4.842	20	5		FJBDRO
Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000568910395	568251951	/nfs/dbraw/zinc/25/19/51/568251951.db2.gz	BJFXEVHTOGTOGP-LBPRGKRZSA-N	1	0	372.494	4.858	20	5		FJBDRO
Cc1ccc([C@H](C)[NH2+]CCCc2nc3c(s2)CCCC3)cc1[N+](=O)[O-]	ZINC000482251209	568528629	/nfs/dbraw/zinc/52/86/29/568528629.db2.gz	WZHKEHJISPXLRB-AWEZNQCLSA-N	1	0	359.495	4.522	20	5		FJBDRO