smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+]([C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2)C1CCCCC1	ZINC000016186678	136219595	/nfs/dbraw/zinc/21/95/95/136219595.db2.gz	CIMIGKAAHGMWNY-UWYIXMSKSA-N	1	0	236.359	2.880	40	30		BFEBRO
CC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C#N	ZINC000004203267	342744013	/nfs/dbraw/zinc/74/40/13/342744013.db2.gz	BIYUBPAZRFIARZ-KBPBESRZSA-N	1	0	214.312	2.668	40	30		BFEBRO
C=CCN(CC=C)C/C=C/[NH+](CC=C)CC=C	ZINC000004801802	342752306	/nfs/dbraw/zinc/75/23/06/342752306.db2.gz	HDBQBOOGLFIDHO-NTEUORMPSA-N	1	0	232.371	2.848	40	30		BFEBRO
CC[N@H+](Cc1ccccc1)[C@H]1CCC/C1=N/O	ZINC000100977230	344417976	/nfs/dbraw/zinc/41/79/76/344417976.db2.gz	OKFQZDBHSKZRMH-RHIYTYFCSA-N	1	0	232.327	2.891	40	30		BFEBRO
C=CCOc1ccc(C[NH2+]CCCOCC)cc1	ZINC000006354814	187363737	/nfs/dbraw/zinc/36/37/37/187363737.db2.gz	GLGOBFASVJEOMA-UHFFFAOYSA-N	1	0	249.354	2.768	40	30		BFEBRO
Cc1cccc(C)[n+]1CC(=O)c1ccc(F)cc1	ZINC000001666169	179029362	/nfs/dbraw/zinc/02/93/62/179029362.db2.gz	BGLJZGMMYZPMGG-UHFFFAOYSA-N	1	0	244.289	2.613	40	30		BFEBRO
C[N@H+]([C@@H]1/C(=N/O)[C@H]2CC[C@@H]1C2)C1CCCCC1	ZINC000005674871	346629749	/nfs/dbraw/zinc/62/97/49/346629749.db2.gz	CIMIGKAAHGMWNY-MQPBCWPUSA-N	1	0	236.359	2.880	40	30		BFEBRO
C=CCN(CC=C)CCC[NH+](CC=C)CC=C	ZINC000002563347	166334057	/nfs/dbraw/zinc/33/40/57/166334057.db2.gz	KKAIREMKWOORCU-UHFFFAOYSA-N	1	0	234.387	2.725	40	30		BFEBRO
O=C1C=CC2=C3CC[C@H]4CCC[C@H]4[N@@H+]3CCC2=C1	ZINC000103283836	358038884	/nfs/dbraw/zinc/03/88/84/358038884.db2.gz	AFZUMYMXNCDSQR-IAQYHMDHSA-N	1	0	241.334	2.974	40	30	in-man	BFEBRO
O[C@@H](C/N=C/c1ccccc1)c1ccccc1	ZINC000000298098	183172727	/nfs/dbraw/zinc/17/27/27/183172727.db2.gz	UMUCAPZOOJAILZ-KFXIKWRMSA-N	1	0	225.291	2.839	40	30		BFEBRO
CSC(=[NH2+])Nc1cccc2c1CCCC2	ZINC000006485235	384156078	/nfs/dbraw/zinc/15/60/78/384156078.db2.gz	OIYCTDGBKHFBNB-UHFFFAOYSA-N	1	0	220.341	2.875	40	30		BFEBRO
C[C@H](C[NH+](C)C)C(=O)/C=C\c1ccc(F)cc1	ZINC000017174670	384481567	/nfs/dbraw/zinc/48/15/67/384481567.db2.gz	DDVWHTGQDYPNQO-DHHDDZJSSA-N	1	0	235.302	2.606	40	30		BFEBRO
C=CC[NH2+]Cc1cc(OC)ccc1OC(C)C	ZINC000095094941	384963252	/nfs/dbraw/zinc/96/32/52/384963252.db2.gz	MSNIKJAWSGVGSK-UHFFFAOYSA-N	1	0	235.327	2.758	40	30		BFEBRO
C=CC[NH2+]Cc1cccc(C(F)(F)F)c1	ZINC000019875728	385513826	/nfs/dbraw/zinc/51/38/26/385513826.db2.gz	DIIKPHVCAARSQW-UHFFFAOYSA-N	1	0	215.218	2.981	40	30		BFEBRO
C[N+](C)=C/C=C(\Cl)c1ccc(F)cc1	ZINC000002557620	388848443	/nfs/dbraw/zinc/84/84/43/388848443.db2.gz	YYSTZCSKXFYYRP-XFFZJAGNSA-N	1	0	212.675	2.748	40	30		BFEBRO
CC[C@@H](C[NH3+])C(F)(F)C(F)(F)C(F)(F)F	ZINC000006411892	170822093	/nfs/dbraw/zinc/82/20/93/170822093.db2.gz	WQFBZQWBHJSFSD-BYPYZUCNSA-N	1	0	241.150	2.804	40	30		BFEBRO
C=CCCCC[C@H](O)C[NH2+]Cc1ccccc1	ZINC000026897784	518699288	/nfs/dbraw/zinc/69/92/88/518699288.db2.gz	CPSQUBRAIRLFAS-HNNXBMFYSA-N	1	0	233.355	2.884	40	30		BFEBRO
C=C[C@@H]([NH3+])c1ccccc1C(F)(F)F	ZINC000095643313	519296719	/nfs/dbraw/zinc/29/67/19/519296719.db2.gz	LRRHLLIATWWVCM-SECBINFHSA-N	1	0	201.191	2.891	40	30		BFEBRO
CCCCCCCC[n+]1ccn(C)c1C	ZINC000100040202	520052079	/nfs/dbraw/zinc/05/20/79/520052079.db2.gz	JXKFTCYRLIOPQE-UHFFFAOYSA-N	1	0	209.357	2.982	40	30		BFEBRO
CCCCCCC[NH2+]Cc1c(C)nn(C)c1F	ZINC000256053334	520056007	/nfs/dbraw/zinc/05/60/07/520056007.db2.gz	RANXLUWPDHDQSE-UHFFFAOYSA-N	1	0	241.354	2.928	40	30		BFEBRO
CCCCCCC[NH2+]Cc1cnn(C)c1C	ZINC000229801221	520056904	/nfs/dbraw/zinc/05/69/04/520056904.db2.gz	SHEQOUBDZDUZNY-UHFFFAOYSA-N	1	0	223.364	2.789	40	30		BFEBRO
Fc1ccc(C[NH2+]CC#Cc2ccccc2)cc1	ZINC000016451167	136219644	/nfs/dbraw/zinc/21/96/44/136219644.db2.gz	MUXMJZHQHINIFA-UHFFFAOYSA-N	1	0	239.293	2.967	40	30		BFEBRO
C(#Cc1ccccc1)C[NH2+]Cc1ccccc1	ZINC000016480046	136219680	/nfs/dbraw/zinc/21/96/80/136219680.db2.gz	DULZMLWKBJSDRJ-UHFFFAOYSA-N	1	0	221.303	2.828	40	30		BFEBRO
C[C@@H]1CCC[C@H](C)[N@H+]1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2	ZINC000016608865	136219788	/nfs/dbraw/zinc/21/97/88/136219788.db2.gz	FJTNUHLQJBBRRC-JCXAMMAUSA-N	1	0	236.359	2.878	40	30		BFEBRO
C[C@@H]1CCC[C@@H](C)[NH+]1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2	ZINC000016608863	136219828	/nfs/dbraw/zinc/21/98/28/136219828.db2.gz	FJTNUHLQJBBRRC-RADWYQBESA-N	1	0	236.359	2.878	40	30		BFEBRO
C[C@@H]1C[C@@H](C)C[NH+]([C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)C1	ZINC000016608490	136219858	/nfs/dbraw/zinc/21/98/58/136219858.db2.gz	APPXPFIAWDFJGB-RADWYQBESA-N	1	0	236.359	2.593	40	30		BFEBRO
Cc1ccc(/C(Cl)=C/C=[N+](C)C)s1	ZINC000016348092	178352097	/nfs/dbraw/zinc/35/20/97/178352097.db2.gz	ASADPCUTXRITLY-TWGQIWQCSA-N	1	0	214.741	2.979	40	30		BFEBRO
CCCC/C=C1\CC[C@@H](C[NH+](C)C)C1=O	ZINC000001618763	342705950	/nfs/dbraw/zinc/70/59/50/342705950.db2.gz	DGFOGZAJBWCFAR-VNKGSWCUSA-N	1	0	209.333	2.644	40	30		BFEBRO
C[C@@H](C(=O)C1CCCCC1)[n+]1ccccc1	ZINC000006485447	342778570	/nfs/dbraw/zinc/77/85/70/342778570.db2.gz	MZTJPXNHDPCUKF-LBPRGKRZSA-N	1	0	218.320	2.685	40	30		BFEBRO
CC(=O)CC[C@@H](C)/[NH+]=C/c1ccc(N(C)C)cc1	ZINC000016955112	342917886	/nfs/dbraw/zinc/91/78/86/342917886.db2.gz	IBCQWOWDLDHXPI-PILJQMSFSA-N	1	0	246.354	2.929	40	30		BFEBRO
CCCCCCCCCC[C@@H](O)C[NH3+]	ZINC000043574787	343205806	/nfs/dbraw/zinc/20/58/06/343205806.db2.gz	VIXJLJIOHUCFAI-GFCCVEGCSA-N	1	0	201.354	2.837	40	30		BFEBRO
N#Cc1cccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1	ZINC000096311680	343668241	/nfs/dbraw/zinc/66/82/41/343668241.db2.gz	CILMMLLFHXIIHS-AGUYFDCRSA-N	1	0	212.296	2.556	40	30		BFEBRO
Cc1cccc(/C=C/C(=O)[C@H](C)C[NH+](C)C)c1	ZINC000001611372	179002981	/nfs/dbraw/zinc/00/29/81/179002981.db2.gz	HWQBZSPRWAFEEK-MMQHEFTJSA-N	1	0	231.339	2.775	40	30		BFEBRO
C[n+]1ccc(/C=C/c2cccc(C#N)c2)cc1	ZINC000005002266	346256467	/nfs/dbraw/zinc/25/64/67/346256467.db2.gz	YVICVMLZSBROTI-AATRIKPKSA-N	1	0	221.283	2.553	40	30		BFEBRO
CN/C(=[NH+]/C)c1ccc(Cl)c(Cl)c1	ZINC000001737447	187584445	/nfs/dbraw/zinc/58/44/45/187584445.db2.gz	AVCILZDNVLCHAJ-UHFFFAOYSA-N	1	0	217.099	2.589	40	30		BFEBRO
O/N=C1\Cc2ccccc2[C@@H]1[NH+]1CCCCC1	ZINC000005776318	384130652	/nfs/dbraw/zinc/13/06/52/384130652.db2.gz	JMUXAWIENGARML-MRPLLJTBSA-N	1	0	230.311	2.600	40	30		BFEBRO
c1csc(-c2ccc3ccccc3[o+]2)c1	ZINC000409415766	384269808	/nfs/dbraw/zinc/26/98/08/384269808.db2.gz	DGNKSGZXXPCCGQ-SEYXRHQNSA-N	1	0	213.281	2.758	40	30		BFEBRO
CCCCCCCCCC(C)N=NC(N)=[NH2+]	ZINC000104393644	384829234	/nfs/dbraw/zinc/82/92/34/384829234.db2.gz	DRNVHXQZZSAUHM-PTNGSMBKSA-N	1	0	226.368	2.986	40	30		BFEBRO
O=[N+](Cc1cccc(O)c1)c1ccccc1	ZINC000104078421	384796026	/nfs/dbraw/zinc/79/60/26/384796026.db2.gz	JWXNHLANTZVNHY-UHFFFAOYSA-N	1	0	213.236	2.653	40	30		BFEBRO
C#CC[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2	ZINC000007538662	166189994	/nfs/dbraw/zinc/18/99/94/166189994.db2.gz	SGLAACNKRHNTTE-DYQPHDICSA-N	1	0	217.356	2.814	40	30		BFEBRO
CC1CC[NH+]([C@H]2c3ccccc3C/C2=N/O)CC1	ZINC000100964849	168185361	/nfs/dbraw/zinc/18/53/61/168185361.db2.gz	WSZPODVTGNWCPO-RIBQPWQFSA-N	1	0	244.338	2.846	40	30		BFEBRO
C[C@@H]1CC[C@](C)(C(=O)C[N+](C)(C)C)C1(C)C	ZINC000004266799	176237723	/nfs/dbraw/zinc/23/77/23/176237723.db2.gz	OVSUYKFDMHUGIX-BXUZGUMPSA-N	1	0	226.384	2.724	40	30		BFEBRO
C[C@H]1CCc2c(C#N)c(/[NH+]=C/N(C)C)sc2C1	ZINC000100843889	177209576	/nfs/dbraw/zinc/20/95/76/177209576.db2.gz	PPICRHSXYDQYOJ-HVIDBACLSA-N	1	0	247.367	2.966	40	30		BFEBRO
CCCCCCCCN1CC[NH2+]C[C@@H]1C	ZINC000100413421	398249420	/nfs/dbraw/zinc/24/94/20/398249420.db2.gz	IIRUIBIYTGQFNM-ZDUSSCGKSA-N	1	0	212.381	2.641	40	30		BFEBRO
CC[N@@H+]1CCC[C@@](C#N)(c2ccccc2)CC1	ZINC000001593295	342704912	/nfs/dbraw/zinc/70/49/12/342704912.db2.gz	VGTIIMMLFBZHTQ-OAHLLOKOSA-N	1	0	228.339	2.954	40	30		BFEBRO
CCCCCCC[n+]1cccc(C#N)c1	ZINC000001723781	342711288	/nfs/dbraw/zinc/71/12/88/342711288.db2.gz	ACUJLBUFNCQHHS-UHFFFAOYSA-N	1	0	203.309	2.816	40	30		BFEBRO
C=C(c1ccccc1)[C@@]1(O)CCCC[C@@H]1[NH+](C)C	ZINC000001588618	187364288	/nfs/dbraw/zinc/36/42/88/187364288.db2.gz	MLNPNKQUANSWIW-HOTGVXAUSA-N	1	0	245.366	2.935	40	30		BFEBRO
C[n+]1ccccc1/C=C/c1cccc(C#N)c1	ZINC000005002311	346257107	/nfs/dbraw/zinc/25/71/07/346257107.db2.gz	KMQOQBBRORXYID-CMDGGOBGSA-N	1	0	221.283	2.553	40	30		BFEBRO
CCCCCCCC[NH2+][C@@H](C)CC(=O)OC	ZINC000100408972	168652714	/nfs/dbraw/zinc/65/27/14/168652714.db2.gz	IDZPZGMOEWHPRR-LBPRGKRZSA-N	1	0	229.364	2.888	40	30		BFEBRO
C/C(=N\O)C1CC[NH+](Cc2ccccc2)CC1	ZINC000012417627	188279592	/nfs/dbraw/zinc/27/95/92/188279592.db2.gz	BBXXJNOTZHIEIQ-NTCAYCPXSA-N	1	0	232.327	2.749	40	30		BFEBRO
CC(=O)CC[C@H](C)/[NH+]=C\c1ccc(N(C)C)cc1	ZINC000104131569	188323888	/nfs/dbraw/zinc/32/38/88/188323888.db2.gz	IBCQWOWDLDHXPI-IEMQHYRPSA-N	1	0	246.354	2.929	40	30		BFEBRO
N#CCC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000039311245	181034893	/nfs/dbraw/zinc/03/48/93/181034893.db2.gz	NSYOUQLPFSKISU-UHFFFAOYSA-N	1	0	239.322	2.706	40	30		BFEBRO
C=C(c1ccccc1)[C@@]1(O)CCCC[C@H]1[NH+](C)C	ZINC000001588619	355907410	/nfs/dbraw/zinc/90/74/10/355907410.db2.gz	MLNPNKQUANSWIW-CVEARBPZSA-N	1	0	245.366	2.935	40	30		BFEBRO
CCCCCCCCCC(C)N=NC(N)=[NH2+]	ZINC000104393648	200684050	/nfs/dbraw/zinc/68/40/50/200684050.db2.gz	DRNVHXQZZSAUHM-RVDMUPIBSA-N	1	0	226.368	2.986	40	30		BFEBRO
C[N+](C)(C)CC(=O)c1ccc2ccccc2c1	ZINC000001669535	383917846	/nfs/dbraw/zinc/91/78/46/383917846.db2.gz	GRWQXBMHUWVXTA-UHFFFAOYSA-N	1	0	228.315	2.729	40	30		BFEBRO
CC[C@H](C[NH3+])C(F)(F)C(F)(F)C(F)(F)F	ZINC000001700668	384448820	/nfs/dbraw/zinc/44/88/20/384448820.db2.gz	WQFBZQWBHJSFSD-SCSAIBSYSA-N	1	0	241.150	2.804	40	30		BFEBRO
O/N=C/[C@H](c1ccccc1)[NH+]1CCCCC1	ZINC000019204430	384513341	/nfs/dbraw/zinc/51/33/41/384513341.db2.gz	KCVGUNJBMPJYRV-MBFWDRTGSA-N	1	0	218.300	2.674	40	30		BFEBRO
O/N=C1/[C@@H]2CCC[C@H]1[C@H]([NH+]1CCCCC1)CC2	ZINC000005376051	398015247	/nfs/dbraw/zinc/01/52/47/398015247.db2.gz	UEMQBUNIAKDORY-HLOXPZGFSA-N	1	0	236.359	2.881	40	30		BFEBRO
C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccsc1	ZINC000096055798	166358473	/nfs/dbraw/zinc/35/84/73/166358473.db2.gz	AZBWRTKPQCIUEO-UONOGXRCSA-N	1	0	248.395	2.583	40	30		BFEBRO
CN(C)/C=[NH+]/Cc1ccccc1OC(F)(F)F	ZINC000000165248	172352587	/nfs/dbraw/zinc/35/25/87/172352587.db2.gz	KDGFCKNYXGAXCE-OVCLIPMQSA-N	1	0	246.232	2.675	40	30		BFEBRO
C[C@H]1CC[C@](C)(C(=O)C[N+](C)(C)C)C1(C)C	ZINC000004266801	177208287	/nfs/dbraw/zinc/20/82/87/177208287.db2.gz	OVSUYKFDMHUGIX-SMDDNHRTSA-N	1	0	226.384	2.724	40	30		BFEBRO
SCc1[nH+]c(C2CC2)n2ccccc12	ZINC000225746151	526387760	/nfs/dbraw/zinc/38/77/60/526387760.db2.gz	HIGBZWDZYYNCQQ-UHFFFAOYSA-N	1	0	204.298	2.642	40	30		BFEBRO
C(#Cc1ccccc1)C[NH2+]C1CCCCC1	ZINC000016451158	136219831	/nfs/dbraw/zinc/21/98/31/136219831.db2.gz	VGMDGANWVZCDDL-UHFFFAOYSA-N	1	0	213.324	2.960	40	30		BFEBRO
Cc1ccc(C(=O)/C=C/[n+]2ccccc2)cc1	ZINC000004276977	178368942	/nfs/dbraw/zinc/36/89/42/178368942.db2.gz	KMSQMKXKSPRSQJ-FMIVXFBMSA-N	1	0	224.283	2.636	40	30		BFEBRO
CC[N+]1(CC(=O)c2ccccc2)CCCCC1	ZINC000001668280	342707905	/nfs/dbraw/zinc/70/79/05/342707905.db2.gz	QKAAEUUKOYZVFC-UHFFFAOYSA-N	1	0	232.347	2.890	40	30		BFEBRO
C[C@H]([NH3+])C(=O)Nc1cccc2ccccc21	ZINC000034827517	343278701	/nfs/dbraw/zinc/27/87/01/343278701.db2.gz	QFQHMFXHIHLARW-VIFPVBQESA-N	1	0	214.268	2.775	40	30		BFEBRO
CSc1ccc(N=NC2C=C[N+](=O)C=C2)cc1	ZINC000588229329	346650137	/nfs/dbraw/zinc/65/01/37/346650137.db2.gz	VUVQRUREHGSSFI-UHFFFAOYSA-N	1	0	245.307	2.820	40	30		BFEBRO
C#CC[N+](CC)(CC)C/C=C(/C)Cl	ZINC000005008228	187986417	/nfs/dbraw/zinc/98/64/17/187986417.db2.gz	UBQGMSUWOJQTPW-FLIBITNWSA-N	1	0	200.733	2.619	40	30		BFEBRO
C=C[C@H]([NH3+])c1cccc(C(F)(F)F)c1	ZINC000083945025	188270136	/nfs/dbraw/zinc/27/01/36/188270136.db2.gz	ABWUJOISVMJGJB-VIFPVBQESA-N	1	0	201.191	2.891	40	30		BFEBRO
CC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C#N	ZINC000004203266	188276076	/nfs/dbraw/zinc/27/60/76/188276076.db2.gz	BIYUBPAZRFIARZ-KGLIPLIRSA-N	1	0	214.312	2.668	40	30		BFEBRO
O/N=C1/CCCCC[C@H]1C[NH+]1CCCCC1	ZINC000005375971	181825977	/nfs/dbraw/zinc/82/59/77/181825977.db2.gz	RHSWYEAHLNNPHP-JOLOJFPGSA-N	1	0	224.348	2.883	40	30		BFEBRO
O=C(/C=C/[n+]1ccccc1)c1ccc(Cl)cc1	ZINC000005583110	181834365	/nfs/dbraw/zinc/83/43/65/181834365.db2.gz	VDYXWYZAFCNECH-DHZHZOJOSA-N	1	0	244.701	2.981	40	30		BFEBRO
O/N=C1\CCCC[C@@H]1[NH2+]C1CCCCC1	ZINC000005374583	384112383	/nfs/dbraw/zinc/11/23/83/384112383.db2.gz	JQAGCWCANHSWBR-DLGQCPFBSA-N	1	0	210.321	2.682	40	30		BFEBRO
Cc1ccc(O)c([C@H]2C[C@@H](C#N)CC[N@H+]2C)c1	ZINC000005567061	384121914	/nfs/dbraw/zinc/12/19/14/384121914.db2.gz	YEGJVIHJYPGMMW-WCQYABFASA-N	1	0	230.311	2.607	40	30		BFEBRO
C[NH+](C)CC(C)(C)C(=O)/C=C\c1ccccc1	ZINC000017142731	384482257	/nfs/dbraw/zinc/48/22/57/384482257.db2.gz	OFYZAIZRLXHEOE-KHPPLWFESA-N	1	0	231.339	2.857	40	30		BFEBRO
CCCCCCCCCCCN=NC(N)=[NH2+]	ZINC000100302082	384633257	/nfs/dbraw/zinc/63/32/57/384633257.db2.gz	YEVDMXAKGHITKL-RVDMUPIBSA-N	1	0	226.368	2.986	40	30		BFEBRO
C=CC[NH2+]Cc1cc(OC)ccc1OCCC	ZINC000095094942	384962341	/nfs/dbraw/zinc/96/23/41/384962341.db2.gz	SUFGHNYMOHYHJU-UHFFFAOYSA-N	1	0	235.327	2.760	40	30		BFEBRO
C#CC([NH3+])(c1ccccc1)c1ccccc1	ZINC000032501212	385761351	/nfs/dbraw/zinc/76/13/51/385761351.db2.gz	RDYHBRPHXPDMHR-UHFFFAOYSA-N	1	0	207.276	2.522	40	30		BFEBRO
C=CCN(CC=C)C(=[NH2+])Nc1ccccc1Cl	ZINC000005852290	166325714	/nfs/dbraw/zinc/32/57/14/166325714.db2.gz	CXPVBSUDMCLRJO-UHFFFAOYSA-N	1	0	249.745	2.960	40	30		BFEBRO
CC(=CCC1=C(C)CCCC1(C)C)N=NC(N)=[NH2+]	ZINC000017376393	168074671	/nfs/dbraw/zinc/07/46/71/168074671.db2.gz	ZEWDNOFNNKZKDB-FPJXICRKSA-N	1	0	248.374	2.719	40	30		BFEBRO
CC[C@H]1CSC(NCc2ccccc2)=[NH+]1	ZINC000005469076	171674539	/nfs/dbraw/zinc/67/45/39/171674539.db2.gz	UZCXNNALJXBHPI-NSHDSACASA-N	1	0	220.341	2.658	40	30		BFEBRO
C[C@H](C[NH+](C)C)C(=O)/C=C/c1ccc(F)cc1	ZINC000001607760	176648945	/nfs/dbraw/zinc/64/89/45/176648945.db2.gz	DDVWHTGQDYPNQO-OALRPVAKSA-N	1	0	235.302	2.606	40	30		BFEBRO
C=C[C@H]([NH3+])c1cccc(Br)c1	ZINC000083945130	519299875	/nfs/dbraw/zinc/29/98/75/519299875.db2.gz	WKJYNZMOMAKRRL-VIFPVBQESA-N	1	0	212.090	2.635	40	30		BFEBRO
C=C[C@H]([NH3+])c1ccccc1Br	ZINC000083946522	519300005	/nfs/dbraw/zinc/30/00/05/519300005.db2.gz	VKSFFOVXSJVUBT-VIFPVBQESA-N	1	0	212.090	2.635	40	30		BFEBRO
CCCCCCC[NH2+]Cc1ccnn1CC	ZINC000256050898	520057611	/nfs/dbraw/zinc/05/76/11/520057611.db2.gz	GXQQOFXYTOKWHL-UHFFFAOYSA-N	1	0	223.364	2.963	40	30		BFEBRO
C[N@H+](Cc1ccccc1)[C@@H]1/C(=N/O)[C@H]2CC[C@@H]1C2	ZINC000016188629	136219563	/nfs/dbraw/zinc/21/95/63/136219563.db2.gz	YNZIHLDKDXMMJM-KQJDQDCQSA-N	1	0	244.338	2.747	40	30		BFEBRO
Cc1ccc(/C=C\C(=O)[C@@H](C)C[NH+](C)C)cc1	ZINC000017142739	178358271	/nfs/dbraw/zinc/35/82/71/178358271.db2.gz	VLLQNQJORILGPQ-XPSMFNQNSA-N	1	0	231.339	2.775	40	30		BFEBRO
C[C@@H](C[NH+](C)C)C(=O)/C=C/c1ccc(F)cc1	ZINC000001607758	342705728	/nfs/dbraw/zinc/70/57/28/342705728.db2.gz	DDVWHTGQDYPNQO-LAHYYIKRSA-N	1	0	235.302	2.606	40	30		BFEBRO
C(#Cc1ccccc1)C[NH2+]Cc1cccs1	ZINC000016451171	136364717	/nfs/dbraw/zinc/36/47/17/136364717.db2.gz	YOINQXJNUZZOIL-UHFFFAOYSA-N	1	0	227.332	2.889	40	30		BFEBRO
CCCCCCCCCC[C@H](O)C[NH3+]	ZINC000043574785	168650331	/nfs/dbraw/zinc/65/03/31/168650331.db2.gz	VIXJLJIOHUCFAI-LBPRGKRZSA-N	1	0	201.354	2.837	40	30		BFEBRO
CC(/C=[NH+]/n1c(C)nnc1C)=C\c1ccccc1	ZINC000003141298	188275476	/nfs/dbraw/zinc/27/54/76/188275476.db2.gz	CBBYAPSSTJJZJA-VMPIADEKSA-N	1	0	240.310	2.832	40	30		BFEBRO
C=CC[N+]1(CC#Cc2ccccc2)CCCC1	ZINC000004952744	188333736	/nfs/dbraw/zinc/33/37/36/188333736.db2.gz	XZYKJFRNOFEZFD-UHFFFAOYSA-N	1	0	226.343	2.835	40	30		BFEBRO
C[N+]1(C)CCC[C@](C#N)(c2ccccc2)CC1	ZINC000001593289	383910419	/nfs/dbraw/zinc/91/04/19/383910419.db2.gz	YWGSRELTNDVXPS-HNNXBMFYSA-N	1	0	229.347	2.708	40	30		BFEBRO
C[N+](=O)C(c1ccccc1)c1ccccc1	ZINC000001600250	383911259	/nfs/dbraw/zinc/91/12/59/383911259.db2.gz	LXPUDLOXVOGRMH-UHFFFAOYSA-N	1	0	211.264	2.664	40	30		BFEBRO
Cc1ccc(C(=O)/C=C/n2ccc(=[NH2+])cc2)cc1	ZINC000409415748	384268405	/nfs/dbraw/zinc/26/84/05/384268405.db2.gz	ZNGPJJAGBYHAKN-DHZHZOJOSA-N	1	0	238.290	2.630	40	30		BFEBRO
Cc1cccc(C(=O)/C=C/n2ccc(=[NH2+])cc2)c1	ZINC000409415743	384269056	/nfs/dbraw/zinc/26/90/56/384269056.db2.gz	JCWWXEXJYTXKRF-JXMROGBWSA-N	1	0	238.290	2.630	40	30		BFEBRO
CC(O)=CC(=O)c1ccc([N+](C)(C)C)cc1	ZINC000016136471	384454213	/nfs/dbraw/zinc/45/42/13/384454213.db2.gz	IRZWZUHUMPXQJL-UHFFFAOYSA-O	1	0	220.292	2.528	40	30		BFEBRO
CCCCCCCCCCCN=NC(N)=[NH2+]	ZINC000100302079	384633208	/nfs/dbraw/zinc/63/32/08/384633208.db2.gz	YEVDMXAKGHITKL-PTNGSMBKSA-N	1	0	226.368	2.986	40	30		BFEBRO
O/N=C1/CCCC[C@@H]1[NH+]1CCCCCC1	ZINC000100965245	384661149	/nfs/dbraw/zinc/66/11/49/384661149.db2.gz	KFRJJSBGGIDOSI-KLDSGFLGSA-N	1	0	210.321	2.635	40	30		BFEBRO
C[N@H+]([C@H]1CCC/C1=N/O)C1CCCCC1	ZINC000100986905	384662095	/nfs/dbraw/zinc/66/20/95/384662095.db2.gz	LSVQQNQRKHLAMM-KLDSGFLGSA-N	1	0	210.321	2.634	40	30		BFEBRO
C=CC[NH2+]Cc1ccccc1Br	ZINC000019876030	385514951	/nfs/dbraw/zinc/51/49/51/385514951.db2.gz	KHVDSCXXCUHJQS-UHFFFAOYSA-N	1	0	226.117	2.725	40	30		BFEBRO
C=CCn1c(C)[nH+]c(-c2ccc(F)cc2)c1N	ZINC000100761325	386778538	/nfs/dbraw/zinc/77/85/38/386778538.db2.gz	HHWTYACQZJTFOW-UHFFFAOYSA-N	1	0	231.274	2.766	40	30		BFEBRO
C=CCN(CC=C)C(=[NH2+])Nc1ccc(Cl)cc1	ZINC000005852287	166325711	/nfs/dbraw/zinc/32/57/11/166325711.db2.gz	OGDJWVPEMYSEAE-UHFFFAOYSA-N	1	0	249.745	2.960	40	30		BFEBRO
C[C@@H]1CC/C(=N\[N+](C)(C)C)c2ccccc21	ZINC000018043589	176056815	/nfs/dbraw/zinc/05/68/15/176056815.db2.gz	YITGCHRPMDLEQI-BFWGRDPESA-N	1	0	217.336	2.994	40	30		BFEBRO
C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1	ZINC000008730521	176074311	/nfs/dbraw/zinc/07/43/11/176074311.db2.gz	OHJGSWZOTIBNTE-GFCCVEGCSA-N	1	0	214.312	2.933	40	30		BFEBRO
CC(=O)C[n+]1ccccc1-c1ccccc1C	ZINC000001579143	342704160	/nfs/dbraw/zinc/70/41/60/342704160.db2.gz	FEZUMFFRYQFPRZ-UHFFFAOYSA-N	1	0	226.299	2.539	40	30		BFEBRO
CC[N@@H+]1CCC[C@](C#N)(c2ccccc2)CC1	ZINC000005698956	342768563	/nfs/dbraw/zinc/76/85/63/342768563.db2.gz	VGTIIMMLFBZHTQ-HNNXBMFYSA-N	1	0	228.339	2.954	40	30		BFEBRO
CC(=O)CC[C@H](C)/[NH+]=C/c1ccc(N(C)C)cc1	ZINC000016955111	342917911	/nfs/dbraw/zinc/91/79/11/342917911.db2.gz	IBCQWOWDLDHXPI-JASJWYONSA-N	1	0	246.354	2.929	40	30		BFEBRO
N#Cc1ccc(F)c(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1	ZINC000096311744	343668221	/nfs/dbraw/zinc/66/82/21/343668221.db2.gz	DTSKPSZFGVUEFM-YOGCLGLASA-N	1	0	230.286	2.695	40	30		BFEBRO
O=CC[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000034217392	344078586	/nfs/dbraw/zinc/07/85/86/344078586.db2.gz	GFLCFWIJWNDRSA-CQSZACIVSA-N	1	0	217.312	2.630	40	30		BFEBRO
C/C(=N\[N+](C)(C)C)c1ccc(C)c(C)c1	ZINC000003954225	346585918	/nfs/dbraw/zinc/58/59/18/346585918.db2.gz	MAEVSQFHGKHDDI-WYMLVPIESA-N	1	0	205.325	2.734	40	30	in-vitro	BFEBRO
CC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C#N	ZINC000002547039	356634119	/nfs/dbraw/zinc/63/41/19/356634119.db2.gz	BIYUBPAZRFIARZ-UONOGXRCSA-N	1	0	214.312	2.668	40	30		BFEBRO
O=C(/C=C/c1ccccc1)[C@H]1CCC[NH2+]CC1	ZINC000035569158	383860201	/nfs/dbraw/zinc/86/02/01/383860201.db2.gz	CVPXCOGMHULQHQ-VFNNOXKTSA-N	1	0	229.323	2.659	40	30		BFEBRO
C[C@H](C(=O)C1CCCCC1)[n+]1ccccc1	ZINC000001598303	383908966	/nfs/dbraw/zinc/90/89/66/383908966.db2.gz	MZTJPXNHDPCUKF-GFCCVEGCSA-N	1	0	218.320	2.685	40	30		BFEBRO
C[NH+](C)CCC[C@H](C#N)c1ccccc1	ZINC000001673505	383921353	/nfs/dbraw/zinc/92/13/53/383921353.db2.gz	NXHIHKLMPBXJOK-CYBMUJFWSA-N	1	0	202.301	2.636	40	30		BFEBRO
C[N+](C)(C)[C@@H](C1=CCCC1=O)c1ccccc1	ZINC000001711970	383929211	/nfs/dbraw/zinc/92/92/11/383929211.db2.gz	UNGBEOHVVJLIAD-OAHLLOKOSA-N	1	0	230.331	2.723	40	30	in-vitro	BFEBRO
O/N=C1/Cc2ccccc2[C@@H]1[NH+]1CCCCCC1	ZINC000005903723	384136994	/nfs/dbraw/zinc/13/69/94/384136994.db2.gz	AGRSZECUOPIZDS-RIBQPWQFSA-N	1	0	244.338	2.990	40	30		BFEBRO
CCCCCCCC[NH2+]CCOCCOC	ZINC000100070081	384614271	/nfs/dbraw/zinc/61/42/71/384614271.db2.gz	JRMLFAIOOFGLSO-UHFFFAOYSA-N	1	0	231.380	2.600	40	30		BFEBRO
CCCCCCCC[C@H](C)[NH2+]CCO	ZINC000100298581	384631019	/nfs/dbraw/zinc/63/10/19/384631019.db2.gz	SFGIGHHJJKSNMF-LBPRGKRZSA-N	1	0	201.354	2.707	40	30		BFEBRO
C[N@H+]([C@@H]1CCC/C1=N/O)C1CCCCC1	ZINC000100986904	384662361	/nfs/dbraw/zinc/66/23/61/384662361.db2.gz	LSVQQNQRKHLAMM-NPRUJURCSA-N	1	0	210.321	2.634	40	30		BFEBRO
C=C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1	ZINC000083945026	388065024	/nfs/dbraw/zinc/06/50/24/388065024.db2.gz	ABWUJOISVMJGJB-SECBINFHSA-N	1	0	201.191	2.891	40	30		BFEBRO
C[C@H]1CC/C(=N\[N+](C)(C)C)c2ccccc21	ZINC000035999588	177067974	/nfs/dbraw/zinc/06/79/74/177067974.db2.gz	YITGCHRPMDLEQI-AKCBPTIMSA-N	1	0	217.336	2.994	40	30		BFEBRO
C=CCCCC[C@@H](O)C[NH2+]Cc1ccccc1	ZINC000026897787	518699966	/nfs/dbraw/zinc/69/99/66/518699966.db2.gz	CPSQUBRAIRLFAS-OAHLLOKOSA-N	1	0	233.355	2.884	40	30		BFEBRO
CCCCCCCCC(=O)N1CC[NH2+]C[C@@H]1C	ZINC000100414951	519970758	/nfs/dbraw/zinc/97/07/58/519970758.db2.gz	AFSSFKRRQZTJFZ-ZDUSSCGKSA-N	1	0	240.391	2.557	40	30		BFEBRO
CCCCCCCCC(=O)N1CCC[NH2+]CC1	ZINC000100414327	519971553	/nfs/dbraw/zinc/97/15/53/519971553.db2.gz	DFTPVYKIXIGUOV-UHFFFAOYSA-N	1	0	240.391	2.559	40	30		BFEBRO
CCCCCCC[NH2+]Cc1ccn(CC)n1	ZINC000256054231	520058180	/nfs/dbraw/zinc/05/81/80/520058180.db2.gz	VMZLNVJOLHDAIO-UHFFFAOYSA-N	1	0	223.364	2.963	40	30		BFEBRO
C[C@@H](C[NH+](C)C)C(=O)/C=C/c1cccc(F)c1	ZINC000001611362	342705741	/nfs/dbraw/zinc/70/57/41/342705741.db2.gz	ORZYYCXOZVDYBY-AEZGRPFRSA-N	1	0	235.302	2.606	40	30		BFEBRO
Cc1ccc[n+](/C=C/C(=O)c2ccc(F)cc2)c1	ZINC000005547863	342765907	/nfs/dbraw/zinc/76/59/07/342765907.db2.gz	MZGXKFYWSSZECV-CSKARUKUSA-N	1	0	242.273	2.775	40	30		BFEBRO
CCCCC[NH2+]CC#Cc1ccccc1	ZINC000007261210	342790374	/nfs/dbraw/zinc/79/03/74/342790374.db2.gz	JMBMYLXHAXGAEB-UHFFFAOYSA-N	1	0	201.313	2.818	40	30		BFEBRO
CCCCCCCC1N(C)CCC[N@@H+]1C	ZINC000019319387	342945485	/nfs/dbraw/zinc/94/54/85/342945485.db2.gz	LWECKUMROIGAQQ-UHFFFAOYSA-N	1	0	212.381	2.940	40	30		BFEBRO
CC(=CCC1=C(C)CCCC1(C)C)N=NC(N)=[NH2+]	ZINC000017376396	187251764	/nfs/dbraw/zinc/25/17/64/187251764.db2.gz	ZEWDNOFNNKZKDB-HQFFKOPYSA-N	1	0	248.374	2.719	40	30		BFEBRO
N#Cc1ccccc1C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000096311681	343668141	/nfs/dbraw/zinc/66/81/41/343668141.db2.gz	AAJORQJOFWTMLK-YHWZYXNKSA-N	1	0	212.296	2.556	40	30		BFEBRO
N#Cc1cc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1F	ZINC000096311721	343668168	/nfs/dbraw/zinc/66/81/68/343668168.db2.gz	LHBAIWYPILYUAL-VGPLMAKISA-N	1	0	230.286	2.695	40	30		BFEBRO
N#Cc1ccc(C2CC[NH2+]CC2)cc1Cl	ZINC000044137922	344400026	/nfs/dbraw/zinc/40/00/26/344400026.db2.gz	CNQVAZDWISSOMN-UHFFFAOYSA-N	1	0	220.703	2.679	40	30		BFEBRO
C=CCn1c(C)[nH+]c(-c2ccccc2F)c1N	ZINC000100761299	187362779	/nfs/dbraw/zinc/36/27/79/187362779.db2.gz	PBFCCCSTXRNNDY-UHFFFAOYSA-N	1	0	231.274	2.766	40	30		BFEBRO
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/O)[C@H]2[n+]1ccccc1	ZINC000105302026	191067686	/nfs/dbraw/zinc/06/76/86/191067686.db2.gz	GOJSQMBDTXKYPT-HPJAEMANSA-O	1	0	245.346	2.802	40	30		BFEBRO
C=C(C)[C@H]1CC[C@@H](C)O[C@H]1C[NH+]1CCCC1	ZINC000004029230	188340555	/nfs/dbraw/zinc/34/05/55/188340555.db2.gz	OESHVYGQGUCFKO-MCIONIFRSA-N	1	0	223.360	2.842	40	30		BFEBRO
C=CCOc1ccc(C[NH2+]CCC)cc1	ZINC000006430931	355364313	/nfs/dbraw/zinc/36/43/13/355364313.db2.gz	ALINXKMJWUUQNA-UHFFFAOYSA-N	1	0	205.301	2.751	40	30		BFEBRO
SC1(S)CCC[N@H+](Cc2ccccc2)C1	ZINC000031960423	183315683	/nfs/dbraw/zinc/31/56/83/183315683.db2.gz	KSUUPZRGMYIMFE-UHFFFAOYSA-N	1	0	239.409	2.838	40	30		BFEBRO
CN(C)c1ccc(/C=[NH+]/N2CCCCCC2)cc1	ZINC000001631183	383915715	/nfs/dbraw/zinc/91/57/15/383915715.db2.gz	RVOJEUDQQHLIER-DTQAZKPQSA-N	1	0	245.370	2.963	40	30		BFEBRO
CN(C)c1ccc(-c2cc[s+]cc2)cc1	ZINC000005389801	384112537	/nfs/dbraw/zinc/11/25/37/384112537.db2.gz	VBJLIVPZZJVLHV-UHFFFAOYSA-N	1	0	216.329	2.896	40	30		BFEBRO
Cc1cc(NCc2ccccc2)ncc1/C=N/O	ZINC000072223358	385113249	/nfs/dbraw/zinc/11/32/49/385113249.db2.gz	PMQIEPPDOAYOQM-LICLKQGHSA-N	1	0	241.294	2.810	40	30		BFEBRO
C=C[C@H]([NH3+])c1ccc(Br)cc1	ZINC000083944905	519301085	/nfs/dbraw/zinc/30/10/85/519301085.db2.gz	ZXZSYYGFRUPTLU-VIFPVBQESA-N	1	0	212.090	2.635	40	30		BFEBRO
CCCCCCCCC(=O)N1CC[NH2+][C@H](C)C1	ZINC000100414670	519973957	/nfs/dbraw/zinc/97/39/57/519973957.db2.gz	LRELFRITRRHJRK-CYBMUJFWSA-N	1	0	240.391	2.557	40	30		BFEBRO
CCCCCCC[NH2+]Cc1c(C)cnn1C	ZINC000256051695	520055636	/nfs/dbraw/zinc/05/56/36/520055636.db2.gz	KELBMQNIMDLYTP-UHFFFAOYSA-N	1	0	223.364	2.789	40	30		BFEBRO
CCCCCCCC[NH2+][C@H](C)CC(=O)OC	ZINC000100408976	398249401	/nfs/dbraw/zinc/24/94/01/398249401.db2.gz	IDZPZGMOEWHPRR-GFCCVEGCSA-N	1	0	229.364	2.888	40	30		BFEBRO
Cc1ccc(/C=C/C(=O)[C@@H](C)C[NH+](C)C)cc1	ZINC000001590723	178354933	/nfs/dbraw/zinc/35/49/33/178354933.db2.gz	VLLQNQJORILGPQ-LXKVQUBZSA-N	1	0	231.339	2.775	40	30		BFEBRO
CCCCCCC[n+]1ccccc1C#N	ZINC000001561316	342702912	/nfs/dbraw/zinc/70/29/12/342702912.db2.gz	DAEUFIJZMUHIDW-UHFFFAOYSA-N	1	0	203.309	2.816	40	30		BFEBRO
C[NH+](C)CC#C[C@](C)(O)CCC1CCCCC1	ZINC000016576263	398309210	/nfs/dbraw/zinc/30/92/10/398309210.db2.gz	BJRRPUFGYCGTMM-HNNXBMFYSA-N	1	0	237.387	2.663	40	30		BFEBRO
CC(C)/C(=N/[N+](C)(C)C)c1ccccc1	ZINC000004984524	187248109	/nfs/dbraw/zinc/24/81/09/187248109.db2.gz	UCOCRPQUUKUJSR-YPKPFQOOSA-N	1	0	205.325	2.753	40	30	in-vitro	BFEBRO
N#Cc1ccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1	ZINC000096311679	343668234	/nfs/dbraw/zinc/66/82/34/343668234.db2.gz	SVENWYWJGSPMTJ-AGUYFDCRSA-N	1	0	212.296	2.556	40	30		BFEBRO
CCN(CC)C(=[NH+][Si](C)(C)C)N(CC)CC	ZINC000196519712	345811634	/nfs/dbraw/zinc/81/16/34/345811634.db2.gz	ICZHKSUFTDGRRY-UHFFFAOYSA-N	1	0	243.471	2.861	40	30		BFEBRO
C=C(Br)C[N+](CC)(CC)CC	ZINC000001639288	346461219	/nfs/dbraw/zinc/46/12/19/346461219.db2.gz	JRLHVLADHCDQPI-UHFFFAOYSA-N	1	0	221.162	2.772	40	30		BFEBRO
O/N=C1\CCC=CCC[C@@H]1[NH+]1CCCCC1	ZINC000016138056	181827721	/nfs/dbraw/zinc/82/77/21/181827721.db2.gz	SIAYGCUYIOLJNN-DYUVYCLMSA-N	1	0	222.332	2.801	40	30		BFEBRO
C[NH+](C)CC(C)(C)C(=O)/C=C/c1ccccc1	ZINC000001590703	383910424	/nfs/dbraw/zinc/91/04/24/383910424.db2.gz	OFYZAIZRLXHEOE-ZHACJKMWSA-N	1	0	231.339	2.857	40	30		BFEBRO
O/N=C/[C@@H](c1ccccc1)[NH+]1CCCCC1	ZINC000005604306	384120923	/nfs/dbraw/zinc/12/09/23/384120923.db2.gz	KCVGUNJBMPJYRV-UQRISPGASA-N	1	0	218.300	2.674	40	30		BFEBRO
O/N=C1/CCCCCC[C@@H]1[NH+]1CCCC1	ZINC000005612824	384122244	/nfs/dbraw/zinc/12/22/44/384122244.db2.gz	FNTSLCJAGSRJQM-KLDSGFLGSA-N	1	0	210.321	2.635	40	30		BFEBRO
O=C(/C=C\c1ccccc1)CC[NH+]1CCCC1	ZINC000005838794	384132779	/nfs/dbraw/zinc/13/27/79/384132779.db2.gz	OKAPPVMIGFVSQH-HJWRWDBZSA-N	1	0	229.323	2.755	40	30		BFEBRO
CCCCCCCC[NH2+]CCOCC	ZINC000100923484	384360233	/nfs/dbraw/zinc/36/02/33/384360233.db2.gz	UUHFDAJMZXGNNV-UHFFFAOYSA-N	1	0	201.354	2.973	40	30		BFEBRO
CN(C)/C=[NH+]\c1cc2c3c(c1)CCCN3CCC2	ZINC000104147413	384805318	/nfs/dbraw/zinc/80/53/18/384805318.db2.gz	BHRUROHXOGDXAK-WJDWOHSUSA-N	1	0	243.354	2.607	40	30		BFEBRO
CC(C)c1nc(Cl)c(C#N)c2c1C[N@H+](C)CC2	ZINC000096509709	385244451	/nfs/dbraw/zinc/24/44/51/385244451.db2.gz	NGJLCPBBZIONTB-UHFFFAOYSA-N	1	0	249.745	2.718	40	30		BFEBRO
S[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000003954597	385283202	/nfs/dbraw/zinc/28/32/02/385283202.db2.gz	FAYCWBNEJGQOEO-GFCCVEGCSA-N	1	0	207.342	2.581	40	30	in-vitro	BFEBRO
N#Cc1ccc([C@H]([NH3+])CC(F)(F)F)cc1	ZINC000095659055	388653505	/nfs/dbraw/zinc/65/35/05/388653505.db2.gz	ONLNFAILJGPUGB-SECBINFHSA-N	1	0	214.190	2.510	40	30		BFEBRO
CC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C#N	ZINC000253608328	523455081	/nfs/dbraw/zinc/45/50/81/523455081.db2.gz	BIYUBPAZRFIARZ-ZIAGYGMSSA-N	1	0	214.312	2.668	40	30		BFEBRO
C[N@H+](Cc1ccccc1)[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2	ZINC000016188627	136219524	/nfs/dbraw/zinc/21/95/24/136219524.db2.gz	YNZIHLDKDXMMJM-ULNGMOCLSA-N	1	0	244.338	2.747	40	30		BFEBRO
C[C@H]1CCC[C@H](C)[NH+]1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2	ZINC000016608867	136219725	/nfs/dbraw/zinc/21/97/25/136219725.db2.gz	FJTNUHLQJBBRRC-DRLHUHSNSA-N	1	0	236.359	2.878	40	30		BFEBRO
CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\[N+](C)(C)C	ZINC000013404056	342866603	/nfs/dbraw/zinc/86/66/03/342866603.db2.gz	LHJOXNURTHMGAA-GEQRGXFDSA-N	1	0	222.352	2.602	40	30		BFEBRO
CCCCCCCC[C@@H](C)[NH2+]CCO	ZINC000001716854	346471021	/nfs/dbraw/zinc/47/10/21/346471021.db2.gz	SFGIGHHJJKSNMF-GFCCVEGCSA-N	1	0	201.354	2.707	40	30		BFEBRO
CC(C)c1ccc([C@H]2C[NH2+]C[C@H]2C#N)cc1	ZINC000409422458	350474139	/nfs/dbraw/zinc/47/41/39/350474139.db2.gz	GCGWYBFXZBZMLB-ZIAGYGMSSA-N	1	0	214.312	2.637	40	30		BFEBRO
O/N=C1/CCCCCC[C@H]1[NH+]1CCCC1	ZINC000005612817	181826027	/nfs/dbraw/zinc/82/60/27/181826027.db2.gz	FNTSLCJAGSRJQM-NPRUJURCSA-N	1	0	210.321	2.635	40	30		BFEBRO
CC(=O)C1=C(C)CC[N@H+](Cc2ccccc2)C1	ZINC000001705703	383925684	/nfs/dbraw/zinc/92/56/84/383925684.db2.gz	WLMGBBHYWIMZIV-UHFFFAOYSA-N	1	0	229.323	2.798	40	30		BFEBRO
CC1(C)CC(=O)C2=C(C1)O[C@@]1([NH3+])CCC[C@@H]2C1	ZINC000068564698	383995756	/nfs/dbraw/zinc/99/57/56/383995756.db2.gz	KDMVKKFCTZDLDP-OTYXRUKQSA-N	1	0	235.327	2.505	40	30		BFEBRO
CC(=CCC1=C(C)CCCC1(C)C)N=NC(N)=[NH2+]	ZINC000006591326	384158434	/nfs/dbraw/zinc/15/84/34/384158434.db2.gz	ZEWDNOFNNKZKDB-NXFWIZADSA-N	1	0	248.374	2.719	40	30		BFEBRO
C[NH+]=C(Nc1ccc(N(C)C)cc1)SC	ZINC000016929434	384473518	/nfs/dbraw/zinc/47/35/18/384473518.db2.gz	XZTLFBSHPHCQCU-UHFFFAOYSA-N	1	0	223.345	2.513	40	30		BFEBRO
O=C(/C=C/c1ccccc1)CC[NH+]1CCCC1	ZINC000016890126	384474385	/nfs/dbraw/zinc/47/43/85/384474385.db2.gz	OKAPPVMIGFVSQH-CMDGGOBGSA-N	1	0	229.323	2.755	40	30		BFEBRO
O/N=C1\CCC=CCC[C@H]1[NH+]1CCCCC1	ZINC000018036740	384494560	/nfs/dbraw/zinc/49/45/60/384494560.db2.gz	SIAYGCUYIOLJNN-JKZGZGMRSA-N	1	0	222.332	2.801	40	30		BFEBRO
C[N@H+](Cc1ccccc1)[C@H]1CCC/C1=N/O	ZINC000100986891	384661548	/nfs/dbraw/zinc/66/15/48/384661548.db2.gz	JBVCHBVTPISFPV-BSHRGCEOSA-N	1	0	218.300	2.501	40	30		BFEBRO
C[n+]1ccccc1/C=C/c1ccc(C#N)cc1	ZINC000005002310	385181317	/nfs/dbraw/zinc/18/13/17/385181317.db2.gz	UHVMSPUQMMBDGX-MDZDMXLPSA-N	1	0	221.283	2.553	40	30		BFEBRO
C#CCn1c(C)[nH+]c(-c2cccc(Cl)c2)c1N	ZINC000100761372	386778151	/nfs/dbraw/zinc/77/81/51/386778151.db2.gz	BRJNWURNOBTYRY-UHFFFAOYSA-N	1	0	245.713	2.727	40	30		BFEBRO
C=CC[NH+](CC=C)C[C@H]1Cc2ccccc2N1	ZINC000096524025	166335458	/nfs/dbraw/zinc/33/54/58/166335458.db2.gz	JJWSIQVNPYHIJW-CQSZACIVSA-N	1	0	228.339	2.697	40	30		BFEBRO
C=CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccs1	ZINC000096055796	166359065	/nfs/dbraw/zinc/35/90/65/166359065.db2.gz	QHJSJLSTNBKPGM-UONOGXRCSA-N	1	0	248.395	2.583	40	30		BFEBRO
CC1=[N+](CCC#N)c2ccccc2C1(C)C	ZINC000005791778	168137289	/nfs/dbraw/zinc/13/72/89/168137289.db2.gz	HVSZHTZOSZGXCE-UHFFFAOYSA-N	1	0	213.304	2.996	40	30		BFEBRO
CCO/C(=C\[S+](C)C)c1ccccc1	ZINC000016951352	170179355	/nfs/dbraw/zinc/17/93/55/170179355.db2.gz	SUFTUWCRTPHVIY-BENRWUELSA-N	1	0	209.334	2.899	40	30		BFEBRO
C=C[C@@H]([NH3+])c1cccc(Br)c1	ZINC000083945131	519296557	/nfs/dbraw/zinc/29/65/57/519296557.db2.gz	WKJYNZMOMAKRRL-SECBINFHSA-N	1	0	212.090	2.635	40	30		BFEBRO
Cc1ccc(/C(Cl)=C/C=[N+](C)C)cc1	ZINC000002557618	178352080	/nfs/dbraw/zinc/35/20/80/178352080.db2.gz	SWIURPCROKSELY-WQLSENKSSA-N	1	0	208.712	2.918	40	30		BFEBRO
CCCC/C=C1/CC[C@@H](C[NH+](C)C)C1=O	ZINC000001618764	342706116	/nfs/dbraw/zinc/70/61/16/342706116.db2.gz	DGFOGZAJBWCFAR-RDQDRAATSA-N	1	0	209.333	2.644	40	30		BFEBRO
C=CCOc1c(Cl)cc(C[NH2+]C)cc1OC	ZINC000006579009	136332311	/nfs/dbraw/zinc/33/23/11/136332311.db2.gz	LBMLZQKXGOVPKV-UHFFFAOYSA-N	1	0	241.718	2.633	40	30		BFEBRO
C=CCn1c(C)[nH+]c(-c2cccc(F)c2)c1N	ZINC000100761315	191063603	/nfs/dbraw/zinc/06/36/03/191063603.db2.gz	BZGSQKIGZAZALG-UHFFFAOYSA-N	1	0	231.274	2.766	40	30		BFEBRO
CC(C)c1ccc([C@@H]2C[NH2+]C[C@H]2C#N)cc1	ZINC000409422456	350474112	/nfs/dbraw/zinc/47/41/12/350474112.db2.gz	GCGWYBFXZBZMLB-KGLIPLIRSA-N	1	0	214.312	2.637	40	30		BFEBRO
CC(C)c1ccc([C@@H]2C[NH2+]C[C@@H]2C#N)cc1	ZINC000409422455	350474284	/nfs/dbraw/zinc/47/42/84/350474284.db2.gz	GCGWYBFXZBZMLB-KBPBESRZSA-N	1	0	214.312	2.637	40	30		BFEBRO
O=[N+](Cc1ccc2c(c1)OCO2)c1ccccc1	ZINC000000330041	188099886	/nfs/dbraw/zinc/09/98/86/188099886.db2.gz	ZYMPIMWKBKPKIX-OQLLNIDSSA-N	1	0	241.246	2.676	40	30		BFEBRO
C=C(C)[C@]1(O)CCC[C@H]1[NH2+]Cc1ccccc1	ZINC000226086392	188155276	/nfs/dbraw/zinc/15/52/76/188155276.db2.gz	UQSXDSTUFOJNCM-HUUCEWRRSA-N	1	0	231.339	2.636	40	30		BFEBRO
C#CC[N+](CC)(CC)Cc1ccccc1	ZINC000005008230	188157007	/nfs/dbraw/zinc/15/70/07/188157007.db2.gz	QIPKEUMNUCXPHY-UHFFFAOYSA-N	1	0	202.321	2.676	40	30		BFEBRO
O/N=C1\Cc2ccccc2[C@H]1[NH+]1CCCCC1	ZINC000005776317	384129894	/nfs/dbraw/zinc/12/98/94/384129894.db2.gz	JMUXAWIENGARML-SXWSKBOKSA-N	1	0	230.311	2.600	40	30		BFEBRO
CCCC[NH+](CCCC)COCC#CCOC	ZINC000003040375	384200916	/nfs/dbraw/zinc/20/09/16/384200916.db2.gz	PAOGLYMKOYXKPL-UHFFFAOYSA-N	1	0	241.375	2.513	40	30		BFEBRO
O/N=C1/[C@H]2CC[C@H](C2)[C@@H]1[NH+]1CCCCCCC1	ZINC000100964738	384365301	/nfs/dbraw/zinc/36/53/01/384365301.db2.gz	SOJSNMUGHJYLFG-JDDAJVPPSA-N	1	0	236.359	2.881	40	30		BFEBRO
O/N=C1\[C@H]([NH+]2CCCCCCC2)[C@@H]2CC[C@H]1C2	ZINC000100964735	384365570	/nfs/dbraw/zinc/36/55/70/384365570.db2.gz	SOJSNMUGHJYLFG-OXXQAVBPSA-N	1	0	236.359	2.881	40	30		BFEBRO
C=C(C)C/N=C/c1ccc(OC)c(OC)c1	ZINC000018069308	384497374	/nfs/dbraw/zinc/49/73/74/384497374.db2.gz	DJHSYQDIGJJXKX-NTEUORMPSA-N	1	0	219.284	2.699	40	30		BFEBRO
C=CC[NH2+]Cc1ccc(C(F)(F)F)cc1	ZINC000019875775	385514124	/nfs/dbraw/zinc/51/41/24/385514124.db2.gz	WGUISRMWBHQJLH-UHFFFAOYSA-N	1	0	215.218	2.981	40	30		BFEBRO
C=CCc1ccccc1OCC[NH2+]C1CC1	ZINC000053042561	388614072	/nfs/dbraw/zinc/61/40/72/388614072.db2.gz	IDXQJNXXWMOBJU-UHFFFAOYSA-N	1	0	217.312	2.546	40	30		BFEBRO
CC(C)(C)C1=CC[N@@H+](C(C)(C)/C=N/O)CC1	ZINC000001584461	397917883	/nfs/dbraw/zinc/91/78/83/397917883.db2.gz	MXZPCXFYMXSSPF-GXDHUFHOSA-N	1	0	224.348	2.903	40	30		BFEBRO
C[NH2+][C@]12CCC[C@H](C1)C1=C(CC(C)(C)CC1=O)O2	ZINC000004267913	397922972	/nfs/dbraw/zinc/92/29/72/397922972.db2.gz	KFZLQUOKCXPTIA-BMIGLBTASA-N	1	0	249.354	2.766	40	30		BFEBRO
C#CC[C@@H]1C[N@@H+]2CC[C@@H]1[C@@H](c1ccccc1)C2	ZINC000223627265	166205469	/nfs/dbraw/zinc/20/54/69/166205469.db2.gz	GMHYBUWLMCQRPO-OWCLPIDISA-N	1	0	225.335	2.745	40	30		BFEBRO
C=CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000077028432	166357849	/nfs/dbraw/zinc/35/78/49/166357849.db2.gz	MUDUFRFJYXOJGQ-IYBDPMFKSA-N	1	0	242.366	2.521	40	30		BFEBRO
CC[C@H](C(=O)c1ccccc1)[n+]1ccccc1	ZINC000006412240	171242100	/nfs/dbraw/zinc/24/21/00/171242100.db2.gz	ZXVBRAUOHHFPBI-CQSZACIVSA-N	1	0	226.299	2.808	40	30		BFEBRO
COc1ccc(NC(C)=[NH+]C(C)C)cc1	ZINC000017122811	175050109	/nfs/dbraw/zinc/05/01/09/175050109.db2.gz	BCBNQEJSOLUDHL-UHFFFAOYSA-N	1	0	206.289	2.743	40	30		BFEBRO
C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1	ZINC000015417993	177076784	/nfs/dbraw/zinc/07/67/84/177076784.db2.gz	OHJGSWZOTIBNTE-LBPRGKRZSA-N	1	0	214.312	2.933	40	30		BFEBRO
C[C@H]1CC[C@@](C)(C(=O)C[N+](C)(C)C)C1(C)C	ZINC000004266796	177195842	/nfs/dbraw/zinc/19/58/42/177195842.db2.gz	OVSUYKFDMHUGIX-FZMZJTMJSA-N	1	0	226.384	2.724	40	30		BFEBRO
CN(/C=[NH+]\C(C)(C)C)C[Si](C)(C)C	ZINC000256446236	535930911	/nfs/dbraw/zinc/93/09/11/535930911.db2.gz	MFQDMLNXILAMOB-FLIBITNWSA-N	1	0	200.402	2.622	40	30		BFEBRO
C=C[C@@H]([NH3+])c1ccccc1Br	ZINC000083946523	519295855	/nfs/dbraw/zinc/29/58/55/519295855.db2.gz	VKSFFOVXSJVUBT-SECBINFHSA-N	1	0	212.090	2.635	40	30		BFEBRO
CCCCCCCCC(=O)N1CC[NH2+]C[C@H]1C	ZINC000100414955	519973153	/nfs/dbraw/zinc/97/31/53/519973153.db2.gz	AFSSFKRRQZTJFZ-CYBMUJFWSA-N	1	0	240.391	2.557	40	30		BFEBRO
CCCCCCC[NH2+]Cc1cn(C)nc1C	ZINC000162661190	520057153	/nfs/dbraw/zinc/05/71/53/520057153.db2.gz	VOSUJNVTUNIEOJ-UHFFFAOYSA-N	1	0	223.364	2.789	40	30		BFEBRO
CCCCCCC[NH2+]Cc1cnn(CC)c1	ZINC000256050950	520060057	/nfs/dbraw/zinc/06/00/57/520060057.db2.gz	HDSUQGPSNNEBGX-UHFFFAOYSA-N	1	0	223.364	2.963	40	30		BFEBRO
O=C(/C=C\c1ccco1)CC[NH+]1CCCCC1	ZINC000006058980	527658703	/nfs/dbraw/zinc/65/87/03/527658703.db2.gz	RFXOHIPPVIYVPW-SREVYHEPSA-N	1	0	233.311	2.738	40	30		BFEBRO
C[C@H]1C[C@H](C)C[NH+]([C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)C1	ZINC000016608496	136219856	/nfs/dbraw/zinc/21/98/56/136219856.db2.gz	APPXPFIAWDFJGB-DRLHUHSNSA-N	1	0	236.359	2.593	40	30		BFEBRO
CCCCCCCCN1CC[NH2+]C[C@H]1C	ZINC000100413423	398249386	/nfs/dbraw/zinc/24/93/86/398249386.db2.gz	IIRUIBIYTGQFNM-CYBMUJFWSA-N	1	0	212.381	2.641	40	30		BFEBRO
Cc1ccc(/C=C\C(=O)[C@H](C)C[NH+](C)C)cc1	ZINC000017142740	178357947	/nfs/dbraw/zinc/35/79/47/178357947.db2.gz	VLLQNQJORILGPQ-ASCRHOAZSA-N	1	0	231.339	2.775	40	30		BFEBRO
CC(C)(C)C1CCC(=[NH+]n2cnnc2)CC1	ZINC000006298151	342776096	/nfs/dbraw/zinc/77/60/96/342776096.db2.gz	PGROPXOCZYNKRB-UHFFFAOYSA-N	1	0	220.320	2.719	40	30		BFEBRO
C[C@@H](C[NH+](C)C)C(=O)/C=C\c1cccc(F)c1	ZINC000017175545	342921837	/nfs/dbraw/zinc/92/18/37/342921837.db2.gz	ORZYYCXOZVDYBY-TVRMLOFPSA-N	1	0	235.302	2.606	40	30		BFEBRO
C=CC[NH+](CC=C)Cc1ccc(F)cc1	ZINC000052868347	343640660	/nfs/dbraw/zinc/64/06/60/343640660.db2.gz	DCQMNWXAJYDUAG-UHFFFAOYSA-N	1	0	205.276	3.000	40	30		BFEBRO
O=C1C=CC2=C3CC[C@@H]4CCC[C@@H]4[N@@H+]3CCC2=C1	ZINC000377843638	344905235	/nfs/dbraw/zinc/90/52/35/344905235.db2.gz	AFZUMYMXNCDSQR-NHYWBVRUSA-N	1	0	241.334	2.974	40	30	in-man	BFEBRO
C/C(=N/O)C1CC[NH+](Cc2ccccc2)CC1	ZINC000005566125	190975375	/nfs/dbraw/zinc/97/53/75/190975375.db2.gz	BBXXJNOTZHIEIQ-QINSGFPZSA-N	1	0	232.327	2.749	40	30		BFEBRO
CC(C)c1ccc([C@H]2C[NH2+]C[C@@H]2C#N)cc1	ZINC000409422457	350474362	/nfs/dbraw/zinc/47/43/62/350474362.db2.gz	GCGWYBFXZBZMLB-UONOGXRCSA-N	1	0	214.312	2.637	40	30		BFEBRO
C=C(C)COC(=[NH2+])N(CC(=C)C)CC(=C)C	ZINC000001665829	187538378	/nfs/dbraw/zinc/53/83/78/187538378.db2.gz	JUMXGDRJHWWPHE-UHFFFAOYSA-N	1	0	222.332	2.968	40	30		BFEBRO
C/C(=N/O)c1ccc[n+](Cc2ccc(C)cc2)c1	ZINC000012433180	188105432	/nfs/dbraw/zinc/10/54/32/188105432.db2.gz	HCUUTUIDLUSURP-SSZFMOIBSA-O	1	0	241.314	2.529	40	30		BFEBRO
CC(C)/C(=N\[N+](C)(C)C)c1ccccc1	ZINC000012495414	188104913	/nfs/dbraw/zinc/10/49/13/188104913.db2.gz	UCOCRPQUUKUJSR-BUHFOSPRSA-N	1	0	205.325	2.753	40	30	in-vitro	BFEBRO
C/C(=N\O)c1ccc[n+](Cc2ccc(C)cc2)c1	ZINC000104117324	188150453	/nfs/dbraw/zinc/15/04/53/188150453.db2.gz	HCUUTUIDLUSURP-DTQAZKPQSA-O	1	0	241.314	2.529	40	30		BFEBRO
[NH2+]=C(CS)NCC1C2CC3CC(C2)CC1C3	ZINC000005007981	181184987	/nfs/dbraw/zinc/18/49/87/181184987.db2.gz	AMMVENNVNPXCAE-UHFFFAOYSA-N	1	0	238.400	2.555	40	30		BFEBRO
C[NH+](C)CC#C[C@@](C)(O)CCC1CCCCC1	ZINC000016576261	355888361	/nfs/dbraw/zinc/88/83/61/355888361.db2.gz	BJRRPUFGYCGTMM-OAHLLOKOSA-N	1	0	237.387	2.663	40	30		BFEBRO
C/C(=N/[N+](C)(C)C)c1ccc(C)c(C)c1	ZINC000004974439	358416690	/nfs/dbraw/zinc/41/66/90/358416690.db2.gz	MAEVSQFHGKHDDI-OWBHPGMISA-N	1	0	205.325	2.734	40	30	in-vitro	BFEBRO
Cc1ccc(O)c([C@@H]2C[C@H](C#N)CC[N@H+]2C)c1	ZINC000005567059	384120264	/nfs/dbraw/zinc/12/02/64/384120264.db2.gz	YEGJVIHJYPGMMW-YPMHNXCESA-N	1	0	230.311	2.607	40	30		BFEBRO
c1csc(-c2ccc3ccccc3[o+]2)c1	ZINC000409415765	384269020	/nfs/dbraw/zinc/26/90/20/384269020.db2.gz	DGNKSGZXXPCCGQ-OUKQBFOZSA-N	1	0	213.281	2.758	40	30		BFEBRO
CCCCCCCCCC[NH2+]CCOCCO	ZINC000100925990	384658109	/nfs/dbraw/zinc/65/81/09/384658109.db2.gz	YWJOELCOQYYQLV-UHFFFAOYSA-N	1	0	245.407	2.726	40	30		BFEBRO
C=CC[NH2+]Cc1ccc(C)c(C)c1OC	ZINC000095094881	384957209	/nfs/dbraw/zinc/95/72/09/384957209.db2.gz	GJEAFNSAGOIJJY-UHFFFAOYSA-N	1	0	205.301	2.588	40	30		BFEBRO
C#CC[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2	ZINC000007538672	533179497	/nfs/dbraw/zinc/17/94/97/533179497.db2.gz	GUUJCCYXIPFURY-HFDVOGEKSA-N	1	0	217.356	2.958	40	30		BFEBRO
CCCCCCCC[NH2+]CCC(=O)OCC	ZINC000100408365	386759763	/nfs/dbraw/zinc/75/97/63/386759763.db2.gz	WNSNNEUFDRYKIV-UHFFFAOYSA-N	1	0	229.364	2.890	40	30		BFEBRO
S[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000005485879	386811714	/nfs/dbraw/zinc/81/17/14/386811714.db2.gz	FAYCWBNEJGQOEO-LBPRGKRZSA-N	1	0	207.342	2.581	40	30	in-vitro	BFEBRO
N#Cc1cccc([C@H]([NH3+])CC(F)(F)F)c1	ZINC000095777721	388653169	/nfs/dbraw/zinc/65/31/69/388653169.db2.gz	BWKQXKNXWLUPID-SECBINFHSA-N	1	0	214.190	2.510	40	30		BFEBRO
C#CC[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2	ZINC000007538667	166192451	/nfs/dbraw/zinc/19/24/51/166192451.db2.gz	SGLAACNKRHNTTE-SHIHICALSA-N	1	0	217.356	2.814	40	30		BFEBRO
CCO/C(=C/[S+](C)C)c1ccccc1	ZINC000004964116	170179347	/nfs/dbraw/zinc/17/93/47/170179347.db2.gz	SUFTUWCRTPHVIY-ZRDIBKRKSA-N	1	0	209.334	2.899	40	30		BFEBRO
C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC000008730518	177100056	/nfs/dbraw/zinc/10/00/56/177100056.db2.gz	FYVFNHGWHAVRSX-LBPRGKRZSA-N	1	0	214.312	2.790	40	30		BFEBRO
C[N+](C)(C)[C@H](C1=CCCC1=O)c1ccccc1	ZINC000006519627	177487365	/nfs/dbraw/zinc/48/73/65/177487365.db2.gz	UNGBEOHVVJLIAD-HNNXBMFYSA-N	1	0	230.331	2.723	40	30	in-vitro	BFEBRO
CCCCCCC[NH2+]Cc1cnc(NC)nc1	ZINC000103596189	583974727	/nfs/dbraw/zinc/97/47/27/583974727.db2.gz	IFLLCISUJSUDME-UHFFFAOYSA-N	1	0	236.363	2.578	40	30		BFEBRO
CC[C@@H]1CCCC[N@@H+]1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2	ZINC000016636837	136219727	/nfs/dbraw/zinc/21/97/27/136219727.db2.gz	FVJURVRWXRJNLR-RWIAKKTCSA-N	1	0	236.359	2.880	40	30		BFEBRO
CC[C@H]1CCCC[N@@H+]1[C@H]1/C(=N/O)[C@H]2CC[C@@H]1C2	ZINC000016636840	136219881	/nfs/dbraw/zinc/21/98/81/136219881.db2.gz	FVJURVRWXRJNLR-QCMVDPEJSA-N	1	0	236.359	2.880	40	30		BFEBRO
N#Cc1ccc(C[NH+]2CCCCCC2)cc1	ZINC000008730523	398305364	/nfs/dbraw/zinc/30/53/64/398305364.db2.gz	BRDXQCQJDWRZDL-UHFFFAOYSA-N	1	0	214.312	2.934	40	30		BFEBRO
CN(C)C=CC1=[N+](C)c2ccccc2C1(C)C	ZINC000035315433	343294099	/nfs/dbraw/zinc/29/40/99/343294099.db2.gz	BGBICWOROGIHNB-UHFFFAOYSA-N	1	0	229.347	2.641	40	30		BFEBRO
CCCCCCCCCC[NH2+]CCO	ZINC000043587412	343478308	/nfs/dbraw/zinc/47/83/08/343478308.db2.gz	PJNIZPXBKOEEGD-UHFFFAOYSA-N	1	0	201.354	2.709	40	30	in-vitro	BFEBRO
O=CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000034217393	344079002	/nfs/dbraw/zinc/07/90/02/344079002.db2.gz	GFLCFWIJWNDRSA-AWEZNQCLSA-N	1	0	217.312	2.630	40	30		BFEBRO
CSc1ccc(C(=O)C[n+]2ccccc2)cc1	ZINC000001667110	187409042	/nfs/dbraw/zinc/40/90/42/187409042.db2.gz	UWYRGBAXHTXFMH-UHFFFAOYSA-N	1	0	244.339	2.579	40	30		BFEBRO
CCCCCCCCCCN=NC(N)=[NH2+]	ZINC000102250058	191065010	/nfs/dbraw/zinc/06/50/10/191065010.db2.gz	QMJRRIATRJCIOK-GXDHUFHOSA-N	1	0	212.341	2.596	40	30		BFEBRO
CCCCCCC[n+]1ccc2[nH]cnc2c1	ZINC000002369331	168658227	/nfs/dbraw/zinc/65/82/27/168658227.db2.gz	GORKVHLFTMUCPR-UHFFFAOYSA-O	1	0	218.324	2.821	40	30		BFEBRO
C=CC[NH2+]Cc1cc(C)ccc1OCC	ZINC000095094922	188222710	/nfs/dbraw/zinc/22/27/10/188222710.db2.gz	JRUAZHGLYKNNOD-UHFFFAOYSA-N	1	0	205.301	2.669	40	30		BFEBRO
[NH2+]=C(CS)NCC12CC3CC(CC(C3)C1)C2	ZINC000005007977	181185053	/nfs/dbraw/zinc/18/50/53/181185053.db2.gz	IMSBTGCLUSHNQN-UHFFFAOYSA-N	1	0	238.400	2.699	40	30		BFEBRO
O/N=C1/CCCCC[C@@H]1C[NH+]1CCCCC1	ZINC000005375835	181825982	/nfs/dbraw/zinc/82/59/82/181825982.db2.gz	RHSWYEAHLNNPHP-HUTFPVNGSA-N	1	0	224.348	2.883	40	30		BFEBRO
C=C(C[NH+]1CCCC1)C(=O)c1ccc(OC)cc1	ZINC000001608310	383912791	/nfs/dbraw/zinc/91/27/91/383912791.db2.gz	QGAQZDWFQMAIRS-UHFFFAOYSA-N	1	0	245.322	2.530	40	30		BFEBRO
O/N=C1/Cc2ccccc2[C@H]1[NH+]1CCCCCC1	ZINC000005903710	384136676	/nfs/dbraw/zinc/13/66/76/384136676.db2.gz	AGRSZECUOPIZDS-VZHUHSAUSA-N	1	0	244.338	2.990	40	30		BFEBRO
C=C(C[NH+](C)C)C(=O)c1ccccc1Cl	ZINC000073386098	384252098	/nfs/dbraw/zinc/25/20/98/384252098.db2.gz	RHRHXPIFODWSAP-UHFFFAOYSA-N	1	0	223.703	2.641	40	30		BFEBRO
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/O)[C@@H]2[n+]1ccccc1	ZINC000000504235	384461629	/nfs/dbraw/zinc/46/16/29/384461629.db2.gz	GOJSQMBDTXKYPT-IXHAZIBZSA-O	1	0	245.346	2.802	40	30		BFEBRO
C[C@@H](C[NH+](C)C)C(=O)/C=C\c1ccc(F)cc1	ZINC000017174669	384483107	/nfs/dbraw/zinc/48/31/07/384483107.db2.gz	DDVWHTGQDYPNQO-WDDYJBPVSA-N	1	0	235.302	2.606	40	30		BFEBRO
CCCCCCCC[N+]1(C)CCOCC1	ZINC000103013893	384742844	/nfs/dbraw/zinc/74/28/44/384742844.db2.gz	PFOKFJXMERIJTM-UHFFFAOYSA-N	1	0	214.373	2.824	40	30		BFEBRO
C=C(c1ccccc1)[C@]1(O)CCCC[C@@H]1[NH+](C)C	ZINC000001588616	386641235	/nfs/dbraw/zinc/64/12/35/386641235.db2.gz	MLNPNKQUANSWIW-JKSUJKDBSA-N	1	0	245.366	2.935	40	30		BFEBRO
C=CC[NH2+]Cc1ccc(OCC=C)c(OCC)c1	ZINC000008254457	386936444	/nfs/dbraw/zinc/93/64/44/386936444.db2.gz	NRFBGFRETCRXEQ-UHFFFAOYSA-N	1	0	247.338	2.926	40	30		BFEBRO
CC1CC[NH+]([C@@H]2c3ccccc3C/C2=N/O)CC1	ZINC000100964846	168187708	/nfs/dbraw/zinc/18/77/08/168187708.db2.gz	WSZPODVTGNWCPO-VZHUHSAUSA-N	1	0	244.338	2.846	40	30		BFEBRO
C(#Cc1ccccc1)C[NH2+]CCc1ccccc1	ZINC000016479293	136219693	/nfs/dbraw/zinc/21/96/93/136219693.db2.gz	PKNUVIYWTGXUIQ-UHFFFAOYSA-N	1	0	235.330	2.870	40	30		BFEBRO
CCCCCCCC[NH2+]C[C@@H](C)C(=O)OC	ZINC000100408963	398249406	/nfs/dbraw/zinc/24/94/06/398249406.db2.gz	WLLRXFMVAQWOSY-GFCCVEGCSA-N	1	0	229.364	2.746	40	30		BFEBRO
CCCCCCCC[NH2+]C[C@H](C)C(=O)OC	ZINC000100408967	398249414	/nfs/dbraw/zinc/24/94/14/398249414.db2.gz	WLLRXFMVAQWOSY-LBPRGKRZSA-N	1	0	229.364	2.746	40	30		BFEBRO
C[S+](C)CC(=O)c1ccc2ccccc2c1	ZINC000004783026	342752128	/nfs/dbraw/zinc/75/21/28/342752128.db2.gz	QPCWAKFDFPYSSW-UHFFFAOYSA-N	1	0	231.340	2.900	40	30		BFEBRO
CCCCCCC[C@@H](C)[NH2+]CCCO	ZINC000100525944	398317745	/nfs/dbraw/zinc/31/77/45/398317745.db2.gz	CFPXIDOWYVNDDK-GFCCVEGCSA-N	1	0	201.354	2.707	40	30		BFEBRO
C[n+]1ccc(C(=O)Nc2ccccc2Cl)cc1	ZINC000000318176	345426906	/nfs/dbraw/zinc/42/69/06/345426906.db2.gz	IZEFIJGAHTWUKW-UHFFFAOYSA-O	1	0	247.705	2.801	40	30		BFEBRO
C=C(C[NH2+]C(C)(C)C)C(=O)c1ccccc1	ZINC000001570621	188516968	/nfs/dbraw/zinc/51/69/68/188516968.db2.gz	YUPVNIGQCFOHNH-UHFFFAOYSA-N	1	0	217.312	2.814	40	30		BFEBRO
O=C1C=CC2=C3CC[C@@H]4CCC[C@H]4[N@@H+]3CCC2=C1	ZINC000103283838	358039247	/nfs/dbraw/zinc/03/92/47/358039247.db2.gz	AFZUMYMXNCDSQR-XHDPSFHLSA-N	1	0	241.334	2.974	40	30	in-man	BFEBRO
NC(=[NH2+])Nc1cc2ccccc2c2ccccc12	ZINC000006576387	181323500	/nfs/dbraw/zinc/32/35/00/181323500.db2.gz	OTMNKUFLYIQWDV-UHFFFAOYSA-N	1	0	235.290	2.898	40	30		BFEBRO
CN1C=CC=C/C1=C1/C(=O)c2ccccc2[N+]1=O	ZINC000136878349	368419419	/nfs/dbraw/zinc/41/94/19/368419419.db2.gz	HBLWZYLLTPADAQ-OUKQBFOZSA-N	1	0	239.254	2.520	40	30		BFEBRO
O=C(/C=C/c1ccccc1)[C@@H]1CCC[NH2+]CC1	ZINC000035569156	383859165	/nfs/dbraw/zinc/85/91/65/383859165.db2.gz	CVPXCOGMHULQHQ-MYSGNRETSA-N	1	0	229.323	2.659	40	30		BFEBRO
CC1(C)CC(=O)C2=C(C1)O[C@]1([NH3+])CCC[C@H]2C1	ZINC000068564702	383996708	/nfs/dbraw/zinc/99/67/08/383996708.db2.gz	KDMVKKFCTZDLDP-LKFCYVNXSA-N	1	0	235.327	2.505	40	30		BFEBRO
C[NH+](C)CCC[C@@H](C#N)c1ccccc1	ZINC000003635878	384022620	/nfs/dbraw/zinc/02/26/20/384022620.db2.gz	NXHIHKLMPBXJOK-ZDUSSCGKSA-N	1	0	202.301	2.636	40	30		BFEBRO
CCCCCCCC[NH2+]Cc1cnc(N)nc1	ZINC000103596116	384357766	/nfs/dbraw/zinc/35/77/66/384357766.db2.gz	BLNSEOHJFKMAOL-UHFFFAOYSA-N	1	0	236.363	2.509	40	30		BFEBRO
C[NH+]1CCC(N=Nc2ccc(Cl)cc2)CC1	ZINC000082169973	384650176	/nfs/dbraw/zinc/65/01/76/384650176.db2.gz	CFJICHBIXGDIEB-UHFFFAOYSA-N	1	0	237.734	2.834	40	30		BFEBRO
C[N@H+](Cc1ccccc1)[C@@H]1CCC/C1=N/O	ZINC000100986888	384661901	/nfs/dbraw/zinc/66/19/01/384661901.db2.gz	JBVCHBVTPISFPV-NXXVSJRMSA-N	1	0	218.300	2.501	40	30		BFEBRO
C=CC[NH2+]Cc1cccc(C)c1OCC	ZINC000095094836	384959422	/nfs/dbraw/zinc/95/94/22/384959422.db2.gz	BNNSHZJYFHRJEB-UHFFFAOYSA-N	1	0	205.301	2.669	40	30		BFEBRO
CC(C)=CC[N+]1(CC(C)=O)CCCCC1	ZINC000005008218	385180854	/nfs/dbraw/zinc/18/08/54/385180854.db2.gz	BOMPOJIFBNEOOW-UHFFFAOYSA-N	1	0	210.341	2.542	40	30		BFEBRO
N#Cc1ccc[n+](CCc2c[nH]c3ccccc23)c1	ZINC000001708655	387473496	/nfs/dbraw/zinc/47/34/96/387473496.db2.gz	BJHUQQPCKHXNQN-UHFFFAOYSA-N	1	0	248.309	2.570	40	30		BFEBRO
O/N=C1/[C@@H]2CCC[C@H]1[C@@H]([NH+]1CCCCC1)CC2	ZINC000005376060	398015335	/nfs/dbraw/zinc/01/53/35/398015335.db2.gz	UEMQBUNIAKDORY-OFKZWOCFSA-N	1	0	236.359	2.881	40	30		BFEBRO
C[C@@H]1CC[C@@](C)(C(=O)C[N+](C)(C)C)C1(C)C	ZINC000004266795	176218588	/nfs/dbraw/zinc/21/85/88/176218588.db2.gz	OVSUYKFDMHUGIX-RISCZKNCSA-N	1	0	226.384	2.724	40	30		BFEBRO
CC[C@@H](C(=O)c1ccccc1)[n+]1ccccc1	ZINC000001665856	521895148	/nfs/dbraw/zinc/89/51/48/521895148.db2.gz	ZXVBRAUOHHFPBI-AWEZNQCLSA-N	1	0	226.299	2.808	40	30		BFEBRO
Cc1ccc(/C=C/C(=O)[C@H](C)C[NH+](C)C)cc1	ZINC000001590725	178354283	/nfs/dbraw/zinc/35/42/83/178354283.db2.gz	VLLQNQJORILGPQ-WTNCMQEWSA-N	1	0	231.339	2.775	40	30		BFEBRO
CCCC/C=C1\CC[C@H](C[NH+](C)C)C1=O	ZINC000001538698	342702461	/nfs/dbraw/zinc/70/24/61/342702461.db2.gz	DGFOGZAJBWCFAR-YTRUQHMWSA-N	1	0	209.333	2.644	40	30		BFEBRO
CCCCCCC[C@H](C)[NH2+]CCCO	ZINC000001717251	342711015	/nfs/dbraw/zinc/71/10/15/342711015.db2.gz	CFPXIDOWYVNDDK-LBPRGKRZSA-N	1	0	201.354	2.707	40	30		BFEBRO
CC(C)(C)C(=O)C[n+]1ccc2ccccc2c1	ZINC000005632341	342767292	/nfs/dbraw/zinc/76/72/92/342767292.db2.gz	AJFVKKVQRHEQCD-UHFFFAOYSA-N	1	0	228.315	2.743	40	30		BFEBRO
O=C1C=CC2=C3CC[C@H]4CCC[C@@H]4[N@@H+]3CCC2=C1	ZINC000377843637	344905209	/nfs/dbraw/zinc/90/52/09/344905209.db2.gz	AFZUMYMXNCDSQR-ABAIWWIYSA-N	1	0	241.334	2.974	40	30	in-man	BFEBRO
Cc1cccc(/C=C/C(=O)[C@@H](C)C[NH+](C)C)c1	ZINC000001611370	179002770	/nfs/dbraw/zinc/00/27/70/179002770.db2.gz	HWQBZSPRWAFEEK-XEHSLEBBSA-N	1	0	231.339	2.775	40	30		BFEBRO
Cc1cccc[n+]1[C@@H]1CCc2ccccc2C1=O	ZINC000005734383	179234006	/nfs/dbraw/zinc/23/40/06/179234006.db2.gz	IIBNTXNCASOFSC-OAHLLOKOSA-N	1	0	238.310	2.653	40	30		BFEBRO
CCCCCCNC1=[NH+]CCCS1	ZINC000008729596	188161946	/nfs/dbraw/zinc/16/19/46/188161946.db2.gz	HUPXCPGYBCWBCC-UHFFFAOYSA-N	1	0	200.351	2.649	40	30		BFEBRO
C=CCOc1ccc(C[NH2+]CC(C)C)cc1	ZINC000006306867	188225247	/nfs/dbraw/zinc/22/52/47/188225247.db2.gz	WWPMMILYSSZVRN-UHFFFAOYSA-N	1	0	219.328	2.997	40	30		BFEBRO
C=CCOc1ccc(C[NH2+]C2CC2)cc1OCC	ZINC000008254454	188225656	/nfs/dbraw/zinc/22/56/56/188225656.db2.gz	OMHLRHHBJOQDML-UHFFFAOYSA-N	1	0	247.338	2.902	40	30		BFEBRO
C#Cc1c(-c2c[nH]c3ccccc23)ccc[n+]1C	ZINC000001715374	188226336	/nfs/dbraw/zinc/22/63/36/188226336.db2.gz	YSJUJQOEBUECOV-UHFFFAOYSA-N	1	0	233.294	2.641	40	30		BFEBRO
[NH2+]=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000006095558	181182632	/nfs/dbraw/zinc/18/26/32/181182632.db2.gz	KKHKAKFFKIQWLS-UHFFFAOYSA-N	1	0	241.250	2.632	40	30		BFEBRO
O=C(C[n+]1ccccc1Cl)c1ccccc1	ZINC000001668331	182033371	/nfs/dbraw/zinc/03/33/71/182033371.db2.gz	UNPZBSZAZPOVFQ-UHFFFAOYSA-N	1	0	232.690	2.510	40	30		BFEBRO
C[N+]1(C)CCC[C@@](C#N)(c2ccccc2)CC1	ZINC000001593298	383909444	/nfs/dbraw/zinc/90/94/44/383909444.db2.gz	YWGSRELTNDVXPS-OAHLLOKOSA-N	1	0	229.347	2.708	40	30		BFEBRO
O/N=C1\[C@@H]2CCC[C@H]1CC[C@@H]2[NH+]1CCCCC1	ZINC000012320933	384309527	/nfs/dbraw/zinc/30/95/27/384309527.db2.gz	UEMQBUNIAKDORY-GKMTYKGUSA-N	1	0	236.359	2.881	40	30		BFEBRO
Cc1cccc(/C=C\C(=O)[C@@H](C)C[NH+](C)C)c1	ZINC000017175549	384483140	/nfs/dbraw/zinc/48/31/40/384483140.db2.gz	HWQBZSPRWAFEEK-YXVBKTCISA-N	1	0	231.339	2.775	40	30		BFEBRO
C=CCn1c(C)[nH+]c(-c2ccccc2)c1N	ZINC000100761215	386778056	/nfs/dbraw/zinc/77/80/56/386778056.db2.gz	KTQNSTGEXZOVSG-UHFFFAOYSA-N	1	0	213.284	2.627	40	30		BFEBRO
C[NH2+][C@@]12CCC[C@@H](C1)C1=C(CC(C)(C)CC1=O)O2	ZINC000004267914	397922917	/nfs/dbraw/zinc/92/29/17/397922917.db2.gz	KFZLQUOKCXPTIA-ZUZCIYMTSA-N	1	0	249.354	2.766	40	30		BFEBRO
C=CC[N@H+](Cc1ccccc1)[C@@H]1CCC[C@H]1O	ZINC000226086248	166346032	/nfs/dbraw/zinc/34/60/32/166346032.db2.gz	YLSYXVMTOUIBJH-HUUCEWRRSA-N	1	0	231.339	2.588	40	30		BFEBRO
C[C@@H]1CCc2c(C#N)c(/[NH+]=C/N(C)C)sc2C1	ZINC000100843887	176238996	/nfs/dbraw/zinc/23/89/96/176238996.db2.gz	PPICRHSXYDQYOJ-KOLYXTFFSA-N	1	0	247.367	2.966	40	30		BFEBRO
C=C[C@H]([NH3+])c1ccccc1C(F)(F)F	ZINC000095643607	519300098	/nfs/dbraw/zinc/30/00/98/519300098.db2.gz	LRRHLLIATWWVCM-VIFPVBQESA-N	1	0	201.191	2.891	40	30		BFEBRO
CCCCCCC(=O)C[n+]1ccccc1	ZINC000001666378	519949226	/nfs/dbraw/zinc/94/92/26/519949226.db2.gz	HHYQVTIWEXTTJG-UHFFFAOYSA-N	1	0	206.309	2.514	40	30		BFEBRO
CCCCCCCCC(=O)N1CC[NH2+][C@@H](C)C1	ZINC000100414675	519972858	/nfs/dbraw/zinc/97/28/58/519972858.db2.gz	LRELFRITRRHJRK-ZDUSSCGKSA-N	1	0	240.391	2.557	40	30		BFEBRO
C[C@H](C[NH+](C)C)C(=O)/C=C/c1cccc(F)c1	ZINC000001611364	342705767	/nfs/dbraw/zinc/70/57/67/342705767.db2.gz	ORZYYCXOZVDYBY-WSKFYRRCSA-N	1	0	235.302	2.606	40	30		BFEBRO
CCCC/C=C1/CC[C@H](C[NH+](C)C)C1=O	ZINC000001618765	342706095	/nfs/dbraw/zinc/70/60/95/342706095.db2.gz	DGFOGZAJBWCFAR-SEVUFMINSA-N	1	0	209.333	2.644	40	30		BFEBRO
C=C(C[NH+](C)C)C(=O)c1cc(C)ccc1C	ZINC000061860577	191000965	/nfs/dbraw/zinc/00/09/65/191000965.db2.gz	BNDBZMVGPBMKJD-UHFFFAOYSA-N	1	0	217.312	2.604	40	30		BFEBRO
C=C(c1ccccc1)[C@]1(O)CCCC[C@H]1[NH+](C)C	ZINC000001588617	188225697	/nfs/dbraw/zinc/22/56/97/188225697.db2.gz	MLNPNKQUANSWIW-HZPDHXFCSA-N	1	0	245.366	2.935	40	30		BFEBRO
C=C(C)C[N@H+](Cc1ccccc1)CC(C)(C)O	ZINC000117951907	368412530	/nfs/dbraw/zinc/41/25/30/368412530.db2.gz	JZPPKUOGORHYBA-UHFFFAOYSA-N	1	0	233.355	2.836	40	30		BFEBRO
CCCc1cccc[n+]1CC(=O)c1ccccc1	ZINC000001598311	169577411	/nfs/dbraw/zinc/57/74/11/169577411.db2.gz	UCZHWEOGZODRHR-UHFFFAOYSA-N	1	0	240.326	2.810	40	30		BFEBRO
O/N=C1\CCCC[C@H]1[NH2+]C1CCCCC1	ZINC000005374570	384112792	/nfs/dbraw/zinc/11/27/92/384112792.db2.gz	JQAGCWCANHSWBR-UWYSJPFYSA-N	1	0	210.321	2.682	40	30		BFEBRO
C=CCOc1ccc(C[NH2+]CC)cc1OCC	ZINC000006326207	384149861	/nfs/dbraw/zinc/14/98/61/384149861.db2.gz	YAFOYNVEJGYALZ-UHFFFAOYSA-N	1	0	235.327	2.760	40	30		BFEBRO
CC(C)[NH+](C(C)C)[C@@H]1/C(=N\O)[C@H]2CC[C@@H]1C2	ZINC000100965948	384365525	/nfs/dbraw/zinc/36/55/25/384365525.db2.gz	MRFLHLYWXUCRMH-IMQZKJBWSA-N	1	0	224.348	2.734	40	30		BFEBRO
C=C(C)[C@H]1CC[C@H](C)O[C@H]1C[NH+]1CCCC1	ZINC000004029231	386781971	/nfs/dbraw/zinc/78/19/71/386781971.db2.gz	OESHVYGQGUCFKO-MJBXVCDLSA-N	1	0	223.360	2.842	40	30		BFEBRO
C=CCOc1ccc(C[NH2+]CCC)cc1OC	ZINC000006430902	386826627	/nfs/dbraw/zinc/82/66/27/386826627.db2.gz	IPTYAAHSLLLRPJ-UHFFFAOYSA-N	1	0	235.327	2.760	40	30		BFEBRO
C=CC[NH2+]Cc1ccc(OCC=C)cc1	ZINC000006855875	386831776	/nfs/dbraw/zinc/83/17/76/386831776.db2.gz	NDTLYGVVZSOZDT-UHFFFAOYSA-N	1	0	203.285	2.527	40	30		BFEBRO
C=CC[NH2+]Cc1ccc(OCC=C)c(OC)c1	ZINC000008471103	386946418	/nfs/dbraw/zinc/94/64/18/386946418.db2.gz	XCJIOPCUMLCGQT-UHFFFAOYSA-N	1	0	233.311	2.536	40	30		BFEBRO
COc1ccc(C[N+](=O)c2ccccc2)cc1	ZINC000104049179	175086642	/nfs/dbraw/zinc/08/66/42/175086642.db2.gz	GIBHBSRKHBYUKU-UHFFFAOYSA-N	1	0	227.263	2.956	40	30		BFEBRO
N#Cc1ccc(C2([NH3+])CCCCC2)cc1	ZINC000075601699	487681479	/nfs/dbraw/zinc/68/14/79/487681479.db2.gz	MKQLHRLZCKXVRV-UHFFFAOYSA-N	1	0	200.285	2.676	40	30		BFEBRO
CCCCCCC[NH2+]Cc1cc(C)nn1C	ZINC000256049678	520056356	/nfs/dbraw/zinc/05/63/56/520056356.db2.gz	AXUCOFQVPIWCJE-UHFFFAOYSA-N	1	0	223.364	2.789	40	30		BFEBRO
C[C@@H]1C[C@H](C)C[N@H+]([C@H]2/C(=N/O)[C@H]3CC[C@@H]2C3)C1	ZINC000016608494	136219825	/nfs/dbraw/zinc/21/98/25/136219825.db2.gz	APPXPFIAWDFJGB-JCXAMMAUSA-N	1	0	236.359	2.593	40	30		BFEBRO
CC(=[NH+]N)C1=C(C)Nc2ccccc2S1	ZINC000005615705	342767515	/nfs/dbraw/zinc/76/75/15/342767515.db2.gz	BKNSOYCDXKCGDE-RIYZIHGNSA-N	1	0	219.313	2.770	40	30		BFEBRO
C[C@H](C[NH+](C)C)C(=O)/C=C\c1cccc(F)c1	ZINC000017175546	342921707	/nfs/dbraw/zinc/92/17/07/342921707.db2.gz	ORZYYCXOZVDYBY-SKVAFPRGSA-N	1	0	235.302	2.606	40	30		BFEBRO
CC(C)(C)C1=CC[N@@H+](C(C)(C)/C=N\O)CC1	ZINC000017140325	342921273	/nfs/dbraw/zinc/92/12/73/342921273.db2.gz	MXZPCXFYMXSSPF-UVTDQMKNSA-N	1	0	224.348	2.903	40	30		BFEBRO
CN(C)c1ccc(/C=[NH+]\N2CCCCCC2)cc1	ZINC000031659112	343222319	/nfs/dbraw/zinc/22/23/19/343222319.db2.gz	RVOJEUDQQHLIER-SSZFMOIBSA-N	1	0	245.370	2.963	40	30		BFEBRO
CC[N@H+](Cc1ccccc1)[C@@H]1CCC/C1=N/O	ZINC000100977226	344418158	/nfs/dbraw/zinc/41/81/58/344418158.db2.gz	OKFQZDBHSKZRMH-JNINTMOKSA-N	1	0	232.327	2.891	40	30		BFEBRO
Cc1cccc[n+]1[C@H]1CCc2ccccc2C1=O	ZINC000001598310	179234675	/nfs/dbraw/zinc/23/46/75/179234675.db2.gz	IIBNTXNCASOFSC-HNNXBMFYSA-N	1	0	238.310	2.653	40	30		BFEBRO
CC(=O)CC[C@@H](C)/[NH+]=C\c1ccc(N(C)C)cc1	ZINC000104131572	188150530	/nfs/dbraw/zinc/15/05/30/188150530.db2.gz	IBCQWOWDLDHXPI-COOUDCDJSA-N	1	0	246.354	2.929	40	30		BFEBRO
O=[N+](Cc1ccccc1)C1CCCCC1	ZINC000104145695	188150954	/nfs/dbraw/zinc/15/09/54/188150954.db2.gz	ZJLVWLICFJLAGC-UHFFFAOYSA-N	1	0	203.285	2.949	40	30		BFEBRO
C/C(=N\c1cc([N+](=O)[O-])ccc1C)n1ccnc1	ZINC000000319351	188156392	/nfs/dbraw/zinc/15/63/92/188156392.db2.gz	HXJOVNDTQPEZCX-GXDHUFHOSA-N	1	0	244.254	2.698	40	30		BFEBRO
CCCCCCCCCCN=NC(N)=[NH2+]	ZINC000104047109	188505735	/nfs/dbraw/zinc/50/57/35/188505735.db2.gz	QMJRRIATRJCIOK-UVTDQMKNSA-N	1	0	212.341	2.596	40	30		BFEBRO
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C\[N+](C)(C)C	ZINC000013404051	205460297	/nfs/dbraw/zinc/46/02/97/205460297.db2.gz	LHJOXNURTHMGAA-VTSTVKRSSA-N	1	0	222.352	2.602	40	30		BFEBRO
Cc1ccc(O)c([C@@H]2C[C@@H](C#N)CC[N@H+]2C)c1	ZINC000001588027	383910249	/nfs/dbraw/zinc/91/02/49/383910249.db2.gz	YEGJVIHJYPGMMW-AAEUAGOBSA-N	1	0	230.311	2.607	40	30		BFEBRO
Cc1ccc(O)c([C@H]2C[C@H](C#N)CC[N@H+]2C)c1	ZINC000005567060	384120081	/nfs/dbraw/zinc/12/00/81/384120081.db2.gz	YEGJVIHJYPGMMW-DGCLKSJQSA-N	1	0	230.311	2.607	40	30		BFEBRO
O=C(/C=C/c1ccco1)CC[NH+]1CCCCC1	ZINC000017301170	384485710	/nfs/dbraw/zinc/48/57/10/384485710.db2.gz	RFXOHIPPVIYVPW-VOTSOKGWSA-N	1	0	233.311	2.738	40	30		BFEBRO
CC(=[NH+]N)C1=C(C)Nc2ccccc2S1	ZINC000017176665	384482753	/nfs/dbraw/zinc/48/27/53/384482753.db2.gz	BKNSOYCDXKCGDE-ZSOIEALJSA-N	1	0	219.313	2.770	40	30		BFEBRO
O/N=C1/CCCC[C@H]1[NH+]1CCCCCC1	ZINC000100965243	384662339	/nfs/dbraw/zinc/66/23/39/384662339.db2.gz	KFRJJSBGGIDOSI-NPRUJURCSA-N	1	0	210.321	2.635	40	30		BFEBRO
O=[N+](C=CN(O)c1ccccc1)c1ccccc1	ZINC000003107402	385055569	/nfs/dbraw/zinc/05/55/69/385055569.db2.gz	GVCSWQQZBJTDLE-NFLUSIDLSA-N	1	0	240.262	2.812	40	30		BFEBRO
C=CCn1cc(C[NH2+]Cc2cc(C)oc2C)cn1	ZINC000085395818	385159442	/nfs/dbraw/zinc/15/94/42/385159442.db2.gz	XCVDIGFQYLMQPS-UHFFFAOYSA-N	1	0	245.326	2.569	40	30		BFEBRO
N#Cc1ccc([C@@H]([NH3+])CC(F)(F)F)cc1	ZINC000095672275	388653354	/nfs/dbraw/zinc/65/33/54/388653354.db2.gz	ONLNFAILJGPUGB-VIFPVBQESA-N	1	0	214.190	2.510	40	30		BFEBRO
N#Cc1cccc([C@@H]([NH3+])CC(F)(F)F)c1	ZINC000095760444	388653440	/nfs/dbraw/zinc/65/34/40/388653440.db2.gz	BWKQXKNXWLUPID-VIFPVBQESA-N	1	0	214.190	2.510	40	30		BFEBRO
CN(C)/C=[NH+]/c1cc2c3c(c1)CCCN3CCC2	ZINC000018085941	132324113	/nfs/dbraw/zinc/32/41/13/132324113.db2.gz	BHRUROHXOGDXAK-LFIBNONCSA-N	1	0	243.354	2.607	40	30		BFEBRO
C=CC[NH+](CC=C)C[C@@H]1Cc2ccccc2N1	ZINC000096524024	166336131	/nfs/dbraw/zinc/33/61/31/166336131.db2.gz	JJWSIQVNPYHIJW-AWEZNQCLSA-N	1	0	228.339	2.697	40	30		BFEBRO
CC(=CCC1=C(C)CCCC1(C)C)N=NC(N)=[NH2+]	ZINC000017376399	168074599	/nfs/dbraw/zinc/07/45/99/168074599.db2.gz	ZEWDNOFNNKZKDB-IOERDVGBSA-N	1	0	248.374	2.719	40	30		BFEBRO
C[N@@H+]1CCCC[C@@](C#N)(c2ccccc2)CC1	ZINC000001594084	173006984	/nfs/dbraw/zinc/00/69/84/173006984.db2.gz	NAIUDPFISJVNOL-OAHLLOKOSA-N	1	0	228.339	2.954	40	30		BFEBRO
C[N@@H+]1CCCC[C@](C#N)(c2ccccc2)CC1	ZINC000005699644	173009399	/nfs/dbraw/zinc/00/93/99/173009399.db2.gz	NAIUDPFISJVNOL-HNNXBMFYSA-N	1	0	228.339	2.954	40	30		BFEBRO
C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC000008730519	176099222	/nfs/dbraw/zinc/09/92/22/176099222.db2.gz	FYVFNHGWHAVRSX-GFCCVEGCSA-N	1	0	214.312	2.790	40	30		BFEBRO
C=C[C@@H]([NH3+])c1ccc(Br)cc1	ZINC000083944908	519295126	/nfs/dbraw/zinc/29/51/26/519295126.db2.gz	ZXZSYYGFRUPTLU-SECBINFHSA-N	1	0	212.090	2.635	40	30		BFEBRO