smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1CCC(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1	ZINC000724444558	711580878	/nfs/dbraw/zinc/58/08/78/711580878.db2.gz	FYRMGVGFKVQKFR-GXTWGEPZSA-N	2	0	222.376	2.320	10	30		BEEERP
C=C1CCC(C[NH2+][C@H]2CCC[NH2+]CC2)CC1	ZINC000724487017	711584497	/nfs/dbraw/zinc/58/44/97/711584497.db2.gz	AWCPIRSATGVKNZ-AWEZNQCLSA-N	2	0	222.376	2.465	10	30		BEEERP
C=CCC[C@H](C)[NH2+][C@@H]1CN(CC)C[C@@H]1C	ZINC000379964053	538982605	/nfs/dbraw/zinc/98/26/05/538982605.db2.gz	YAFZCNKYSIMYDA-RWMBFGLXSA-N	2	0	210.365	2.271	10	30		BEEERP
C=C(C)C[N@H+](CC)CCCOC1CC[NH2+]CC1	ZINC000104386833	188052373	/nfs/dbraw/zinc/05/23/73/188052373.db2.gz	HDYSQYXSPKZKTC-UHFFFAOYSA-N	2	0	240.391	2.043	10	30		BEEERP
[NH3+]CC#Cc1cccc(C[NH+]2CCCCCC2)c1	ZINC000049608484	181346131	/nfs/dbraw/zinc/34/61/31/181346131.db2.gz	NLOXDQMVIQONPY-UHFFFAOYSA-N	2	0	242.366	2.373	10	30		BEEERP
CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H](C)C#N)CC1	ZINC000054180621	169190733	/nfs/dbraw/zinc/19/07/33/169190733.db2.gz	REQXGUDZHCZMEW-QWHCGFSZSA-N	2	0	237.391	2.246	10	30		BEEERP
C[C@@H]1C[N@@H+](C2CCC(C)(C#N)CC2)C[C@@]1(C)C[NH3+]	ZINC000335058554	385959615	/nfs/dbraw/zinc/95/96/15/385959615.db2.gz	UVPJWBDRUTVMPJ-XSCHDIRWSA-N	2	0	249.402	2.376	10	30		BEEERP
N#CCCCC[NH+]1CCC(C[NH+]2CCCC2)CC1	ZINC000062052187	398110546	/nfs/dbraw/zinc/11/05/46/398110546.db2.gz	IKQPADBOXHLQIN-UHFFFAOYSA-N	2	0	249.402	2.488	10	30		BEEERP
C#CCC[NH2+]CCC[N@@H+](C)Cc1ccccc1	ZINC000070160804	166148081	/nfs/dbraw/zinc/14/80/81/166148081.db2.gz	PQBBSARIJFKGTA-UHFFFAOYSA-N	2	0	230.355	2.121	10	30		BEEERP
CC(C)[C@@H](C)[N@H+](C)Cc1ccccc1C#CC[NH3+]	ZINC000049609223	167369014	/nfs/dbraw/zinc/36/90/14/167369014.db2.gz	IUHJZFXNSPGRQO-CQSZACIVSA-N	2	0	244.382	2.473	10	30		BEEERP
CC[C@H](C)[N@H+](C)Cc1ccccc1C#CC[NH3+]	ZINC000049608826	171307983	/nfs/dbraw/zinc/30/79/83/171307983.db2.gz	APKWOTURJUDWME-ZDUSSCGKSA-N	2	0	230.355	2.227	10	30		BEEERP
C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[NH2+]C1	ZINC000665230832	412168277	/nfs/dbraw/zinc/16/82/77/412168277.db2.gz	WPVRSLMGYPPBIL-AGIUHOORSA-N	2	0	208.349	2.073	10	30		BEEERP
C[N@H+](Cc1ccc(C#CC[NH3+])cc1)C1CCCC1	ZINC000049608925	172845459	/nfs/dbraw/zinc/84/54/59/172845459.db2.gz	ZYGIIFBAMYTJLY-UHFFFAOYSA-N	2	0	242.366	2.371	10	30		BEEERP
C[C@@H]1CCC[N@H+](Cc2ccccc2C#CC[NH3+])C1	ZINC000049608459	176101261	/nfs/dbraw/zinc/10/12/61/176101261.db2.gz	PJCRDALHIZDCHG-CQSZACIVSA-N	2	0	242.366	2.229	10	30		BEEERP
C=C[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1	ZINC000229326797	534669321	/nfs/dbraw/zinc/66/93/21/534669321.db2.gz	JVCWUWZJEBUSDO-XQQFMLRXSA-N	2	0	210.365	2.461	10	30		BEEERP
C=CCCC[N@@H+](C)CC[C@H]1CCC[NH+]1C	ZINC000120574565	534706136	/nfs/dbraw/zinc/70/61/36/534706136.db2.gz	TXTLLDUCYMTRTK-CYBMUJFWSA-N	2	0	210.365	2.369	10	30		BEEERP
C=CCCCCCC[NH2+]C1CC[NH2+]CC1	ZINC000308777929	631642116	/nfs/dbraw/zinc/64/21/16/631642116.db2.gz	BDWLEYKOBFCAMW-UHFFFAOYSA-N	2	0	210.365	2.465	10	30		BEEERP
C[C@H]1C[NH2+]C[C@@]2(CCC[N@@H+]2CCCCC#N)C1	ZINC000757132842	643258352	/nfs/dbraw/zinc/25/83/52/643258352.db2.gz	RYTNFBMRPPAEDX-ZIAGYGMSSA-N	2	0	235.375	2.144	10	30		BEEERP
C=C1CCC(C[NH2+][C@@H]2CCC[NH2+]CC2)CC1	ZINC000724487018	711584536	/nfs/dbraw/zinc/58/45/36/711584536.db2.gz	AWCPIRSATGVKNZ-CQSZACIVSA-N	2	0	222.376	2.465	10	30		BEEERP
C=CC[C@H](CC)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000580181441	346617012	/nfs/dbraw/zinc/61/70/12/346617012.db2.gz	YVMXBTCYEHEULA-UPJWGTAASA-N	2	0	210.365	2.319	10	30		BEEERP
C=CCCSCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000596650191	348605015	/nfs/dbraw/zinc/60/50/15/348605015.db2.gz	JDMJCGCSSFYXFV-CHWSQXEVSA-N	2	0	242.432	2.273	10	30		BEEERP
C=CC[N+]1(CC=C)CC[N+](CC=C)(CC=C)CC1	ZINC000002510001	355923155	/nfs/dbraw/zinc/92/31/55/355923155.db2.gz	JHFHKUAKZHVZDP-UHFFFAOYSA-N	2	0	248.414	2.378	10	30		BEEERP
C=C(C)C[NH+]1CCC(Cc2nccn2C)CC1	ZINC000105918360	358437966	/nfs/dbraw/zinc/43/79/66/358437966.db2.gz	YEJPEDCRWYLTRK-UHFFFAOYSA-N	2	0	233.359	2.251	10	30		BEEERP
C=CC(C)(C)CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1	ZINC000629510404	361108845	/nfs/dbraw/zinc/10/88/45/361108845.db2.gz	SSZKWAHYPRXJGL-NEPJUHHUSA-N	2	0	210.365	2.176	10	30		BEEERP
CCC[N@H+](Cc1ccc(C#CC[NH3+])cc1)C1CC1	ZINC000049608965	169176223	/nfs/dbraw/zinc/17/62/23/169176223.db2.gz	LJNZZZSJIIEAMP-UHFFFAOYSA-N	2	0	242.366	2.371	10	30		BEEERP
C=CCCCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1	ZINC000518360058	384976748	/nfs/dbraw/zinc/97/67/48/384976748.db2.gz	GWQSIDUJYDJXOT-STQMWFEESA-N	2	0	210.365	2.320	10	30		BEEERP
C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCC[NH2+]CC1	ZINC000129506126	386513302	/nfs/dbraw/zinc/51/33/02/386513302.db2.gz	HCEXFIUWQWHNEC-HNNXBMFYSA-N	2	0	243.354	2.132	10	30		BEEERP
C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@@H]1CC[NH2+]C1	ZINC000400533840	533502760	/nfs/dbraw/zinc/50/27/60/533502760.db2.gz	SMABOMDRYWCVOX-YWPYICTPSA-N	2	0	243.354	2.207	10	30		BEEERP
CC1CC[NH+](Cc2ccccc2C#CC[NH3+])CC1	ZINC000049608354	168184324	/nfs/dbraw/zinc/18/43/24/168184324.db2.gz	BYWOWJRFPAFJII-UHFFFAOYSA-N	2	0	242.366	2.229	10	30		BEEERP
C[C@@H]1C[C@@H]1C[N@H+](C)Cc1ccc(C#CC[NH3+])s1	ZINC000104412184	176392377	/nfs/dbraw/zinc/39/23/77/176392377.db2.gz	MCVQSDUIZHNGFE-VXGBXAGGSA-N	2	0	248.395	2.146	10	30		BEEERP
C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#CC[NH3+]	ZINC000049608295	177109934	/nfs/dbraw/zinc/10/99/34/177109934.db2.gz	GRFAXEKMRZPBKF-LBPRGKRZSA-N	2	0	246.329	2.120	10	30		BEEERP
C=C[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1	ZINC000229326786	534667771	/nfs/dbraw/zinc/66/77/71/534667771.db2.gz	JVCWUWZJEBUSDO-AVGNSLFASA-N	2	0	210.365	2.461	10	30		BEEERP
C[C@@H]1CCC[N@H+](Cc2cc(C#CC[NH3+])cs2)C1	ZINC000043688800	582806026	/nfs/dbraw/zinc/80/60/26/582806026.db2.gz	ZEBHXEOMBVEEOZ-GFCCVEGCSA-N	2	0	248.395	2.290	10	30		BEEERP
C=CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC1	ZINC000211966035	343017111	/nfs/dbraw/zinc/01/71/11/343017111.db2.gz	NRLRNHAOSSEPMV-UHFFFAOYSA-N	2	0	242.366	2.483	10	30		BEEERP
C=CCC[C@H](C)[NH2+][C@H]1CCCN(CC)C1	ZINC000126778691	344183828	/nfs/dbraw/zinc/18/38/28/344183828.db2.gz	NNNRTYNYHVSUKN-STQMWFEESA-N	2	0	210.365	2.415	10	30		BEEERP
C=CC(C)(C)CC[NH2+]C1CCC([NH3+])CC1	ZINC000530208616	324525923	/nfs/dbraw/zinc/52/59/23/324525923.db2.gz	GACHGMRWNPQAFZ-UHFFFAOYSA-N	2	0	210.365	2.448	10	30		BEEERP
N/C(CCC[N@@H+]1CC[C@H](c2ccccc2)C1)=N\O	ZINC000050599432	181182634	/nfs/dbraw/zinc/18/26/34/181182634.db2.gz	YTWOAAAJSRWRJV-ZDUSSCGKSA-N	2	0	247.342	2.003	10	30		BEEERP
CCC[N@H+](CC)Cc1ccc(C#CC[NH3+])cc1F	ZINC000049608869	169129125	/nfs/dbraw/zinc/12/91/25/169129125.db2.gz	WOYDJHMVIFLXPD-UHFFFAOYSA-N	2	0	248.345	2.368	10	30		BEEERP
CCC[NH+]1CCC([C@H](C)[NH2+]C[C@@H](C)C#N)CC1	ZINC000054180624	169190957	/nfs/dbraw/zinc/19/09/57/169190957.db2.gz	REQXGUDZHCZMEW-STQMWFEESA-N	2	0	237.391	2.246	10	30		BEEERP
C=CCOc1ccc(C[NH2+]CCCC[NH3+])cc1	ZINC000037715154	134602961	/nfs/dbraw/zinc/60/29/61/134602961.db2.gz	GLGDTHPCOYHNPT-UHFFFAOYSA-N	2	0	234.343	2.080	10	30		BEEERP
CC(C)[C@@H](C)[N@H+](C)Cc1ccc(C#CC[NH3+])cc1	ZINC000049609225	167369655	/nfs/dbraw/zinc/36/96/55/167369655.db2.gz	VROODFHNOJGFNR-CQSZACIVSA-N	2	0	244.382	2.473	10	30		BEEERP
CC[C@H](C)C[N@H+](C)Cc1ccc(C#CC[NH3+])cc1	ZINC000049609018	171273579	/nfs/dbraw/zinc/27/35/79/171273579.db2.gz	UHDKVVBTZMKXKJ-AWEZNQCLSA-N	2	0	244.382	2.475	10	30		BEEERP
C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[NH2+]C1	ZINC000665230834	412167710	/nfs/dbraw/zinc/16/77/10/412167710.db2.gz	WPVRSLMGYPPBIL-JHJVBQTASA-N	2	0	208.349	2.073	10	30		BEEERP
C[C@@H]1CCCC[N@@H+]1Cc1cccc(C#CC[NH3+])c1	ZINC000049608401	176073761	/nfs/dbraw/zinc/07/37/61/176073761.db2.gz	FMNBZINZQHJAHF-CQSZACIVSA-N	2	0	242.366	2.371	10	30		BEEERP
C[C@H]1C[C@@H]1C[N@H+](C)Cc1cc(C#CC[NH3+])cs1	ZINC000104413738	177342732	/nfs/dbraw/zinc/34/27/32/177342732.db2.gz	NZXVYENCKBYCDC-WCQYABFASA-N	2	0	248.395	2.146	10	30		BEEERP
C=CCC[C@H](C)[NH2+][C@H]1CN(CC)C[C@@H]1C	ZINC000379964048	538982653	/nfs/dbraw/zinc/98/26/53/538982653.db2.gz	YAFZCNKYSIMYDA-AVGNSLFASA-N	2	0	210.365	2.271	10	30		BEEERP
C=CC[C@H](CC)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1	ZINC000580181439	346617046	/nfs/dbraw/zinc/61/70/46/346617046.db2.gz	YVMXBTCYEHEULA-AGIUHOORSA-N	2	0	210.365	2.319	10	30		BEEERP
C=CCCSCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1	ZINC000596650193	348604956	/nfs/dbraw/zinc/60/49/56/348604956.db2.gz	JDMJCGCSSFYXFV-QWHCGFSZSA-N	2	0	242.432	2.273	10	30		BEEERP
C=CC[NH+](CC=C)Cc1ccccc1C[NH3+]	ZINC000052376567	166338237	/nfs/dbraw/zinc/33/82/37/166338237.db2.gz	MQYUENOCQAQOTM-UHFFFAOYSA-N	2	0	216.328	2.319	10	30		BEEERP
CC(C)C[C@@H](C[NH+](C)C)N[C@@H]1CCC[C@@H]1C#N	ZINC000054827119	188354970	/nfs/dbraw/zinc/35/49/70/188354970.db2.gz	KHEINISDYGRLNC-HZSPNIEDSA-N	2	0	237.391	2.245	10	30		BEEERP
CC[C@@H]1CC[C@H](C)[N@H+](CCC[NH2+]CCS)C1	ZINC000584601683	358258626	/nfs/dbraw/zinc/25/86/26/358258626.db2.gz	LXXDNDZSXPDAAV-QWHCGFSZSA-N	2	0	244.448	2.406	10	30		BEEERP
C=CC[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C	ZINC000130747964	368140047	/nfs/dbraw/zinc/14/00/47/368140047.db2.gz	SCSVYTFEJLPBRN-ZFWWWQNUSA-N	2	0	230.355	2.283	10	30		BEEERP
Cc1ccc(C=[NH+]CCc2c[nH]c[nH+]2)cc1	ZINC000238553586	385257423	/nfs/dbraw/zinc/25/74/23/385257423.db2.gz	SBVILGFEYDKQRJ-RIYZIHGNSA-N	2	0	213.284	2.380	10	30		BEEERP
C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH2+]CC1	ZINC000665230783	412167604	/nfs/dbraw/zinc/16/76/04/412167604.db2.gz	VWIADPNZYLYNSO-OCCSQVGLSA-N	2	0	222.376	2.463	10	30		BEEERP
C=C[C@H](C)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1	ZINC000229326817	534669020	/nfs/dbraw/zinc/66/90/20/534669020.db2.gz	JVCWUWZJEBUSDO-YNEHKIRRSA-N	2	0	210.365	2.461	10	30		BEEERP
C=CC[N@H+]1CCC[C@@H](n2ccnc2CC)C1	ZINC000105897412	136363708	/nfs/dbraw/zinc/36/37/08/136363708.db2.gz	PHBPVKYYFGAXQC-GFCCVEGCSA-N	2	0	219.332	2.268	10	30		BEEERP
Cc1cc(NC2CC[NH+](C)CC2)c(C#N)c(C)n1	ZINC000157390670	344045727	/nfs/dbraw/zinc/04/57/27/344045727.db2.gz	ROFGAUSASWLYLT-UHFFFAOYSA-N	2	0	244.342	2.076	10	30		BEEERP
C=CCCSCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1	ZINC000596650192	348605503	/nfs/dbraw/zinc/60/55/03/348605503.db2.gz	JDMJCGCSSFYXFV-OLZOCXBDSA-N	2	0	242.432	2.273	10	30		BEEERP
C=CC(C)(C)CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1	ZINC000629510406	361108980	/nfs/dbraw/zinc/10/89/80/361108980.db2.gz	SSZKWAHYPRXJGL-RYUDHWBXSA-N	2	0	210.365	2.176	10	30		BEEERP
[NH3+]CC#Cc1ccccc1C[NH+]1CCCCCC1	ZINC000049608478	181346194	/nfs/dbraw/zinc/34/61/94/181346194.db2.gz	SHFUCNSKUNHZCW-UHFFFAOYSA-N	2	0	242.366	2.373	10	30		BEEERP
C=CCCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1	ZINC000398091158	384801153	/nfs/dbraw/zinc/80/11/53/384801153.db2.gz	XYNRYQAIQODIPA-OLZOCXBDSA-N	2	0	210.365	2.463	10	30		BEEERP
CC(C)[NH2+]C[C@H]1CCC[N@H+](CCCCC#N)C1	ZINC000063138900	167115187	/nfs/dbraw/zinc/11/51/87/167115187.db2.gz	DQNCKUJOGOJLGX-CQSZACIVSA-N	2	0	237.391	2.390	10	30		BEEERP
C[C@H]1CCC[N@H+](Cc2ccc(C#CC[NH3+])cc2)C1	ZINC000049608462	177099334	/nfs/dbraw/zinc/09/93/34/177099334.db2.gz	LVMVROOQITVYHN-AWEZNQCLSA-N	2	0	242.366	2.229	10	30		BEEERP
C[C@H]1C[C@H]1C[N@H+](C)Cc1cc(C#CC[NH3+])cs1	ZINC000104413746	177378931	/nfs/dbraw/zinc/37/89/31/177378931.db2.gz	NZXVYENCKBYCDC-AAEUAGOBSA-N	2	0	248.395	2.146	10	30		BEEERP
C[C@@H]1C[NH2+]C[C@]2(CCC[N@@H+]2CCCCC#N)C1	ZINC000757132820	582508528	/nfs/dbraw/zinc/50/85/28/582508528.db2.gz	RYTNFBMRPPAEDX-KBPBESRZSA-N	2	0	235.375	2.144	10	30		BEEERP
C=CCCC[N@@H+](C)CC[C@@H]1CCC[NH+]1C	ZINC000120574709	534705952	/nfs/dbraw/zinc/70/59/52/534705952.db2.gz	TXTLLDUCYMTRTK-ZDUSSCGKSA-N	2	0	210.365	2.369	10	30		BEEERP
C=CCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1	ZINC000400327079	527296483	/nfs/dbraw/zinc/29/64/83/527296483.db2.gz	ARGKSVUIVXXONR-YNEHKIRRSA-N	2	0	210.365	2.319	10	30		BEEERP
C[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2C#N)CC1	ZINC000054827639	640413566	/nfs/dbraw/zinc/41/35/66/640413566.db2.gz	YZAMZGTYERQYJK-KGLIPLIRSA-N	2	0	235.375	2.000	10	30		BEEERP
C=CCCCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1	ZINC000518360057	344210831	/nfs/dbraw/zinc/21/08/31/344210831.db2.gz	GWQSIDUJYDJXOT-QWHCGFSZSA-N	2	0	210.365	2.320	10	30		BEEERP
C=CCCCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1	ZINC000518360056	344210884	/nfs/dbraw/zinc/21/08/84/344210884.db2.gz	GWQSIDUJYDJXOT-OLZOCXBDSA-N	2	0	210.365	2.320	10	30		BEEERP
C=CCCC(C)(C)C[NH2+]C1CC[NH2+]CC1	ZINC000635023795	345224570	/nfs/dbraw/zinc/22/45/70/345224570.db2.gz	SKEAVOSGVJUILS-UHFFFAOYSA-N	2	0	210.365	2.320	10	30		BEEERP
COc1ccc(C=[NH+]CCc2c[nH]c[nH+]2)cc1	ZINC000584617676	358282813	/nfs/dbraw/zinc/28/28/13/358282813.db2.gz	HAJNVMULTGGUJY-RIYZIHGNSA-N	2	0	229.283	2.080	10	30		BEEERP
CCC[N@H+](Cc1cccc(C#CC[NH3+])c1)C1CC1	ZINC000049608970	169174618	/nfs/dbraw/zinc/17/46/18/169174618.db2.gz	CHVXWCKWVFPOKH-UHFFFAOYSA-N	2	0	242.366	2.371	10	30		BEEERP
C=CC1([N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1	ZINC000536955997	387169580	/nfs/dbraw/zinc/16/95/80/387169580.db2.gz	WCCUQNPNJWKUBI-BETUJISGSA-N	2	0	222.376	2.273	10	30		BEEERP
C=CCCC(C)(C)[NH2+]C[C@@H]1CCC[NH2+]C1	ZINC000663507041	411690436	/nfs/dbraw/zinc/69/04/36/411690436.db2.gz	JBTZAKIGQHYGIN-GFCCVEGCSA-N	2	0	210.365	2.320	10	30		BEEERP
CC[C@H](C)[N@H+](C)Cc1cccc(C#CC[NH3+])c1	ZINC000049608838	171308021	/nfs/dbraw/zinc/30/80/21/171308021.db2.gz	DTRZOCBCDXRKIA-ZDUSSCGKSA-N	2	0	230.355	2.227	10	30		BEEERP
CC[C@H](C)[N@H+](C)Cc1ccc(C#CC[NH3+])cc1	ZINC000049608828	171308664	/nfs/dbraw/zinc/30/86/64/171308664.db2.gz	UALUOVUZPYSQBN-ZDUSSCGKSA-N	2	0	230.355	2.227	10	30		BEEERP
C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1	ZINC000071141821	173381624	/nfs/dbraw/zinc/38/16/24/173381624.db2.gz	ZZEKBDJRCDVTMK-GXTWGEPZSA-N	2	0	243.354	2.161	10	30		BEEERP
C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#CC[NH3+])cc1	ZINC000049608391	176072778	/nfs/dbraw/zinc/07/27/78/176072778.db2.gz	ZMTJLGKVWKNMMQ-CQSZACIVSA-N	2	0	242.366	2.371	10	30		BEEERP
C[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#CC[NH3+])c1	ZINC000049608297	177110222	/nfs/dbraw/zinc/11/02/22/177110222.db2.gz	VMXLOPMVASAUFN-LBPRGKRZSA-N	2	0	246.329	2.120	10	30		BEEERP
C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(C#N)cc1	ZINC000400533838	229239553	/nfs/dbraw/zinc/23/95/53/229239553.db2.gz	SMABOMDRYWCVOX-SLEUVZQESA-N	2	0	243.354	2.207	10	30		BEEERP
C[C@H]1C[NH2+]C[C@]2(CCC[N@@H+]2CCCCC#N)C1	ZINC000757132826	643258593	/nfs/dbraw/zinc/25/85/93/643258593.db2.gz	RYTNFBMRPPAEDX-KGLIPLIRSA-N	2	0	235.375	2.144	10	30		BEEERP
C=CCC[C@@H](C)[NH2+][C@H]1CCCN(CC)C1	ZINC000230659120	343478374	/nfs/dbraw/zinc/47/83/74/343478374.db2.gz	NNNRTYNYHVSUKN-OLZOCXBDSA-N	2	0	210.365	2.415	10	30		BEEERP
C=CCC[C@H](C)[NH2+][C@@H]1CCCN(CC)C1	ZINC000126778945	344183861	/nfs/dbraw/zinc/18/38/61/344183861.db2.gz	NNNRTYNYHVSUKN-QWHCGFSZSA-N	2	0	210.365	2.415	10	30		BEEERP
[NH3+]CC#Cc1ccc(C[NH+]2CCCCCC2)cc1	ZINC000049608479	181346222	/nfs/dbraw/zinc/34/62/22/181346222.db2.gz	BYSXIJYJGMGRIB-UHFFFAOYSA-N	2	0	242.366	2.373	10	30		BEEERP
C=CC1([NH+]2C[C@@H](C)C[C@H](C)C2)CC[NH2+]CC1	ZINC000536956009	387168902	/nfs/dbraw/zinc/16/89/02/387168902.db2.gz	WCCUQNPNJWKUBI-STQMWFEESA-N	2	0	222.376	2.273	10	30		BEEERP
CC(C)[NH2+]C[C@@H]1CCC[N@H+](CCCCC#N)C1	ZINC000063138898	167112189	/nfs/dbraw/zinc/11/21/89/167112189.db2.gz	DQNCKUJOGOJLGX-AWEZNQCLSA-N	2	0	237.391	2.390	10	30		BEEERP
C[C@H]1CCCC[N@@H+]1Cc1ccc(C#CC[NH3+])cc1	ZINC000049608392	177077735	/nfs/dbraw/zinc/07/77/35/177077735.db2.gz	ZMTJLGKVWKNMMQ-AWEZNQCLSA-N	2	0	242.366	2.371	10	30		BEEERP
C[C@H]1CCC[N@@H+]1Cc1ccc(C#CC[NH3+])cc1F	ZINC000049608291	177110580	/nfs/dbraw/zinc/11/05/80/177110580.db2.gz	JRSSUSIIARQTMM-LBPRGKRZSA-N	2	0	246.329	2.120	10	30		BEEERP
C=CC[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1	ZINC000124010754	491121277	/nfs/dbraw/zinc/12/12/77/491121277.db2.gz	KPDFMEUBCXUETI-UHFFFAOYSA-N	2	0	242.366	2.483	10	30		BEEERP
C[C@H]1CCCC[N@@H+]1Cc1cc(C#CC[NH3+])cs1	ZINC000043688794	582805723	/nfs/dbraw/zinc/80/57/23/582805723.db2.gz	RHEZYSPYZWNHIN-LBPRGKRZSA-N	2	0	248.395	2.433	10	30		BEEERP
C=C1CCC(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1	ZINC000724444561	711580922	/nfs/dbraw/zinc/58/09/22/711580922.db2.gz	FYRMGVGFKVQKFR-JSGCOSHPSA-N	2	0	222.376	2.320	10	30		BEEERP
C=CCC[C@H](C)[NH2+][C@@H]1CN(CC)C[C@H]1C	ZINC000379964050	538982486	/nfs/dbraw/zinc/98/24/86/538982486.db2.gz	YAFZCNKYSIMYDA-FRRDWIJNSA-N	2	0	210.365	2.271	10	30		BEEERP
C=C(C)C[N@@H+]1CC[C@H](CNc2ccccn2)C1	ZINC000171645003	188251702	/nfs/dbraw/zinc/25/17/02/188251702.db2.gz	HTFZDCVTBXHTRN-CYBMUJFWSA-N	2	0	231.343	2.392	10	30		BEEERP
CN(C)c1ccc(C=[NH+]CCc2c[nH]c[nH+]2)cc1	ZINC000584617540	358282712	/nfs/dbraw/zinc/28/27/12/358282712.db2.gz	AMXJUDWSZQPILL-OQLLNIDSSA-N	2	0	242.326	2.137	10	30		BEEERP
C=CC(C)(C)CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1	ZINC000629510407	361108942	/nfs/dbraw/zinc/10/89/42/361108942.db2.gz	SSZKWAHYPRXJGL-VXGBXAGGSA-N	2	0	210.365	2.176	10	30		BEEERP
CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@H](C)C#N)CC1	ZINC000054180625	169190809	/nfs/dbraw/zinc/19/08/09/169190809.db2.gz	REQXGUDZHCZMEW-CHWSQXEVSA-N	2	0	237.391	2.246	10	30		BEEERP
N#Cc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1F	ZINC000335027360	384011282	/nfs/dbraw/zinc/01/12/82/384011282.db2.gz	SMEGCGCDMFFJRP-UHFFFAOYSA-N	2	0	247.317	2.057	10	30		BEEERP
C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H]1CC[NH2+]C1	ZINC000400533842	533503542	/nfs/dbraw/zinc/50/35/42/533503542.db2.gz	SMABOMDRYWCVOX-ZOWXZIJZSA-N	2	0	243.354	2.207	10	30		BEEERP
C=CC[NH+](CC=C)Cc1ccc(C[NH3+])cc1	ZINC000020071231	166334213	/nfs/dbraw/zinc/33/42/13/166334213.db2.gz	BXGCHYCKLSKZLY-UHFFFAOYSA-N	2	0	216.328	2.319	10	30		BEEERP
C[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#CC[NH3+])c1	ZINC000049608296	176107908	/nfs/dbraw/zinc/10/79/08/176107908.db2.gz	VMXLOPMVASAUFN-GFCCVEGCSA-N	2	0	246.329	2.120	10	30		BEEERP
C[C@@H]1CCC[C@H]([N@H+](C)CCCC/C(N)=N\O)C1	ZINC000049580296	176140703	/nfs/dbraw/zinc/14/07/03/176140703.db2.gz	FUHMTBWFMYQPQQ-NEPJUHHUSA-N	2	0	241.379	2.414	10	30		BEEERP
C[C@H]1CCCC[N@@H+]1CCC[NH2+]CCCC#N	ZINC000020047898	177075107	/nfs/dbraw/zinc/07/51/07/177075107.db2.gz	QLGHTGQBGXGNCB-ZDUSSCGKSA-N	2	0	223.364	2.144	10	30		BEEERP
C=CCCC[N@@H+](C)CC[C@H]1CCC[NH2+]C1	ZINC000220272588	534707874	/nfs/dbraw/zinc/70/78/74/534707874.db2.gz	XDHMCJGOVIPUTI-CYBMUJFWSA-N	2	0	210.365	2.274	10	30		BEEERP
C=CCCC[C@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1	ZINC000400327076	527296167	/nfs/dbraw/zinc/29/61/67/527296167.db2.gz	ARGKSVUIVXXONR-XQQFMLRXSA-N	2	0	210.365	2.319	10	30		BEEERP
N#CCCCC[N@@H+]1CCC[C@@]12CN1CCC2CC1	ZINC000757134207	582510229	/nfs/dbraw/zinc/51/02/29/582510229.db2.gz	WSMXFOMHKRNHTA-HNNXBMFYSA-N	2	0	247.386	2.240	10	30		BEEERP
C=C1CCC(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1	ZINC000724444564	711580820	/nfs/dbraw/zinc/58/08/20/711580820.db2.gz	FYRMGVGFKVQKFR-TZMCWYRMSA-N	2	0	222.376	2.320	10	30		BEEERP
C=C1CCC(C[NH2+]C2CC[NH2+]CC2)CC1	ZINC000724490432	711584817	/nfs/dbraw/zinc/58/48/17/711584817.db2.gz	ZWFYJPZVAYYYHH-UHFFFAOYSA-N	2	0	208.349	2.074	10	30		BEEERP
C=CCC[C@H](C)[NH2+][C@H]1CN(CC)C[C@H]1C	ZINC000379964045	538982723	/nfs/dbraw/zinc/98/27/23/538982723.db2.gz	YAFZCNKYSIMYDA-AGIUHOORSA-N	2	0	210.365	2.271	10	30		BEEERP
CC#CC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1	ZINC000160089380	353252555	/nfs/dbraw/zinc/25/25/55/353252555.db2.gz	NJGAOVHHFPLXSC-CQSZACIVSA-N	2	0	243.354	2.147	10	30		BEEERP
C=CC1([N@@H+]2CCC[C@H](C)C2)CC[NH2+]CC1	ZINC000536954896	387167682	/nfs/dbraw/zinc/16/76/82/387167682.db2.gz	OQWRKVGEVQGJPQ-LBPRGKRZSA-N	2	0	208.349	2.027	10	30		BEEERP
C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCC[NH2+]CC1	ZINC000129505908	387773421	/nfs/dbraw/zinc/77/34/21/387773421.db2.gz	HCEXFIUWQWHNEC-OAHLLOKOSA-N	2	0	243.354	2.132	10	30		BEEERP
C(#Cc1ccccc1)CNCCC[NH+]1CCCC1	ZINC000062072651	1172733558	/nfs/dbraw/zinc/73/35/58/1172733558.db2.gz	JSACBONPVXRYCH-UHFFFAOYSA-N	2	0	242.366	2.114	10	30		BEEERP
CC[C@@H](CC#N)[NH2+][C@@H](C)C1CC[NH+](CC)CC1	ZINC000054183397	170811653	/nfs/dbraw/zinc/81/16/53/170811653.db2.gz	LJHCROMTLKMDSA-JSGCOSHPSA-N	2	0	237.391	2.389	10	30		BEEERP
CC[C@H](C)[N@H+](C)Cc1ccc(F)c(C#CC[NH3+])c1	ZINC000049608842	171308828	/nfs/dbraw/zinc/30/88/28/171308828.db2.gz	SPQGCQGQRGNNDW-LBPRGKRZSA-N	2	0	248.345	2.366	10	30		BEEERP
C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[NH2+]C1	ZINC000665230833	412168724	/nfs/dbraw/zinc/16/87/24/412168724.db2.gz	WPVRSLMGYPPBIL-FRRDWIJNSA-N	2	0	208.349	2.073	10	30		BEEERP
C[C@H]1CCC[N@H+](Cc2cccc(C#CC[NH3+])c2)C1	ZINC000049608472	177101021	/nfs/dbraw/zinc/10/10/21/177101021.db2.gz	KRTLOJLRWCQABC-AWEZNQCLSA-N	2	0	242.366	2.229	10	30		BEEERP
C=CCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1	ZINC000400327072	527296299	/nfs/dbraw/zinc/29/62/99/527296299.db2.gz	ARGKSVUIVXXONR-AVGNSLFASA-N	2	0	210.365	2.319	10	30		BEEERP
N#CCCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1	ZINC000037917989	188114744	/nfs/dbraw/zinc/11/47/44/188114744.db2.gz	GFGRYBTWSITSDQ-KBPBESRZSA-N	2	0	235.375	2.144	10	30		BEEERP
N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1	ZINC000040749316	181107217	/nfs/dbraw/zinc/10/72/17/181107217.db2.gz	UOSPWSCPYNDKBB-GOOCMWNKSA-N	2	0	241.338	2.012	10	30		BEEERP
N/C(CCC[N@@H+]1CC[C@@H](c2ccccc2)C1)=N\O	ZINC000050599430	181182682	/nfs/dbraw/zinc/18/26/82/181182682.db2.gz	YTWOAAAJSRWRJV-CYBMUJFWSA-N	2	0	247.342	2.003	10	30		BEEERP
CC[C@H]1CC[C@H](C)[N@H+](CCC[NH2+]CCS)C1	ZINC000584601684	358258884	/nfs/dbraw/zinc/25/88/84/358258884.db2.gz	LXXDNDZSXPDAAV-STQMWFEESA-N	2	0	244.448	2.406	10	30		BEEERP
N#CCCC[NH+]1CCC(C[NH+]2CCCC2)CC1	ZINC000051907745	358767322	/nfs/dbraw/zinc/76/73/22/358767322.db2.gz	YNUWIHUYZMGPRK-UHFFFAOYSA-N	2	0	235.375	2.098	10	30		BEEERP
[NH3+]CC#Cc1ccc(C[NH+]2CCCCC2)c(F)c1	ZINC000049608672	181346498	/nfs/dbraw/zinc/34/64/98/181346498.db2.gz	HCVGJHXIBYGWFF-UHFFFAOYSA-N	2	0	246.329	2.122	10	30		BEEERP
[NH3+]CC#Cc1cc(F)ccc1C[NH+]1CCCCC1	ZINC000049608674	181346531	/nfs/dbraw/zinc/34/65/31/181346531.db2.gz	NHXNEINVLATRSH-UHFFFAOYSA-N	2	0	246.329	2.122	10	30		BEEERP
C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH2+]CC1	ZINC000665230784	412167704	/nfs/dbraw/zinc/16/77/04/412167704.db2.gz	VWIADPNZYLYNSO-TZMCWYRMSA-N	2	0	222.376	2.463	10	30		BEEERP
C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CCCC#N	ZINC000020047895	176071953	/nfs/dbraw/zinc/07/19/53/176071953.db2.gz	QLGHTGQBGXGNCB-CYBMUJFWSA-N	2	0	223.364	2.144	10	30		BEEERP
C[C@@H]1CCC[N@H+](Cc2cccc(C#CC[NH3+])c2)C1	ZINC000049608471	176101160	/nfs/dbraw/zinc/10/11/60/176101160.db2.gz	KRTLOJLRWCQABC-CQSZACIVSA-N	2	0	242.366	2.229	10	30		BEEERP
C[C@@H]1CCC[N@@H+]1Cc1ccc(C#CC[NH3+])cc1F	ZINC000049608290	176108865	/nfs/dbraw/zinc/10/88/65/176108865.db2.gz	JRSSUSIIARQTMM-GFCCVEGCSA-N	2	0	246.329	2.120	10	30		BEEERP
C[C@H]1CCC[N@H+](Cc2cc(C#CC[NH3+])cs2)C1	ZINC000043688801	582806015	/nfs/dbraw/zinc/80/60/15/582806015.db2.gz	ZEBHXEOMBVEEOZ-LBPRGKRZSA-N	2	0	248.395	2.290	10	30		BEEERP
C[NH+]1CCC(C[NH2+][C@H]2CCCC[C@H]2C#N)CC1	ZINC000054827647	643675287	/nfs/dbraw/zinc/67/52/87/643675287.db2.gz	YZAMZGTYERQYJK-KBPBESRZSA-N	2	0	235.375	2.000	10	30		BEEERP
C=CCCCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1	ZINC000518360055	344210773	/nfs/dbraw/zinc/21/07/73/344210773.db2.gz	GWQSIDUJYDJXOT-CHWSQXEVSA-N	2	0	210.365	2.320	10	30		BEEERP
C=CCCSCC[NH2+][C@H]1CCC[NH2+]CC1	ZINC000596649704	348605006	/nfs/dbraw/zinc/60/50/06/348605006.db2.gz	FISDGVCHLLETPS-LBPRGKRZSA-N	2	0	228.405	2.027	10	30		BEEERP
C#CCC[NH2+][C@@H](C)CN(C)Cc1ccccc1	ZINC000306779395	351019194	/nfs/dbraw/zinc/01/91/94/351019194.db2.gz	WBUYZKFKFKOLHK-AWEZNQCLSA-N	2	0	230.355	2.120	10	30		BEEERP
C=CC(C)(C)CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1	ZINC000629510405	361108996	/nfs/dbraw/zinc/10/89/96/361108996.db2.gz	SSZKWAHYPRXJGL-NWDGAFQWSA-N	2	0	210.365	2.176	10	30		BEEERP
C=CCCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1	ZINC000398091157	384799952	/nfs/dbraw/zinc/79/99/52/384799952.db2.gz	XYNRYQAIQODIPA-CHWSQXEVSA-N	2	0	210.365	2.463	10	30		BEEERP
C=CC1([NH+]2CCCCCC2)CC[NH2+]CC1	ZINC000536955171	387167278	/nfs/dbraw/zinc/16/72/78/387167278.db2.gz	QZKINIJVRZQGKE-UHFFFAOYSA-N	2	0	208.349	2.171	10	30		BEEERP
CC1CC[NH+](Cc2cccc(C#CC[NH3+])c2)CC1	ZINC000049608360	168184320	/nfs/dbraw/zinc/18/43/20/168184320.db2.gz	GYTJYCJWLWFGBG-UHFFFAOYSA-N	2	0	242.366	2.229	10	30		BEEERP
CC[C@H](C)C[N@H+](C)Cc1cccc(C#CC[NH3+])c1	ZINC000049609028	171274876	/nfs/dbraw/zinc/27/48/76/171274876.db2.gz	YHBGCEDAZAGOMT-AWEZNQCLSA-N	2	0	244.382	2.475	10	30		BEEERP
C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1	ZINC000665230835	412168592	/nfs/dbraw/zinc/16/85/92/412168592.db2.gz	WPVRSLMGYPPBIL-UPJWGTAASA-N	2	0	208.349	2.073	10	30		BEEERP
C[C@H]1CCCC[N@@H+]1Cc1ccccc1C#CC[NH3+]	ZINC000049608390	177077899	/nfs/dbraw/zinc/07/78/99/177077899.db2.gz	MLSNIEBVDFFTET-AWEZNQCLSA-N	2	0	242.366	2.371	10	30		BEEERP
C[C@H]1CCC[N@H+](Cc2ccccc2C#CC[NH3+])C1	ZINC000049608460	177102348	/nfs/dbraw/zinc/10/23/48/177102348.db2.gz	PJCRDALHIZDCHG-AWEZNQCLSA-N	2	0	242.366	2.229	10	30		BEEERP
C=CCCC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1	ZINC000220272528	534705779	/nfs/dbraw/zinc/70/57/79/534705779.db2.gz	XDHMCJGOVIPUTI-ZDUSSCGKSA-N	2	0	210.365	2.274	10	30		BEEERP
CC1CC[NH+](Cc2cc(C#CC[NH3+])cs2)CC1	ZINC000043692075	582805797	/nfs/dbraw/zinc/80/57/97/582805797.db2.gz	XXVHWAXWKOXCKQ-UHFFFAOYSA-N	2	0	248.395	2.290	10	30		BEEERP
C=CC[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000131442099	711775595	/nfs/dbraw/zinc/77/55/95/711775595.db2.gz	BYSGPQQRHVPYFC-YHWZYXNKSA-N	2	0	208.349	2.025	10	30		BEEERP
C=CCCSCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1	ZINC000596650194	348605460	/nfs/dbraw/zinc/60/54/60/348605460.db2.gz	JDMJCGCSSFYXFV-STQMWFEESA-N	2	0	242.432	2.273	10	30		BEEERP
CC(C)[C@H](C)[N@H+](C)Cc1ccccc1C#CC[NH3+]	ZINC000049609224	188218381	/nfs/dbraw/zinc/21/83/81/188218381.db2.gz	IUHJZFXNSPGRQO-AWEZNQCLSA-N	2	0	244.382	2.473	10	30		BEEERP
CC[C@H]1CC[C@@H](C)[N@H+](CCC[NH2+]CCS)C1	ZINC000584601682	358258678	/nfs/dbraw/zinc/25/86/78/358258678.db2.gz	LXXDNDZSXPDAAV-OLZOCXBDSA-N	2	0	244.448	2.406	10	30		BEEERP
CC[C@@H]1CC[C@@H](C)[N@H+](CCC[NH2+]CCS)C1	ZINC000584601681	358258915	/nfs/dbraw/zinc/25/89/15/358258915.db2.gz	LXXDNDZSXPDAAV-CHWSQXEVSA-N	2	0	244.448	2.406	10	30		BEEERP
CCC[N@H+](Cc1ccccc1C#CC[NH3+])C1CC1	ZINC000049608964	169177741	/nfs/dbraw/zinc/17/77/41/169177741.db2.gz	BLCVELGYACGNEA-UHFFFAOYSA-N	2	0	242.366	2.371	10	30		BEEERP
C=CCCC[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1	ZINC000398091160	384801280	/nfs/dbraw/zinc/80/12/80/384801280.db2.gz	XYNRYQAIQODIPA-STQMWFEESA-N	2	0	210.365	2.463	10	30		BEEERP
C[N@H+]1C[C@@H]2C[NH+](CCCCC(C)(C)C#N)C[C@@H]2C1	ZINC000365848621	135025548	/nfs/dbraw/zinc/02/55/48/135025548.db2.gz	OEPXPXQQQNLCEI-OKILXGFUSA-N	2	0	249.402	2.200	10	30		BEEERP
CC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2C#N)CC1	ZINC000054827673	169951680	/nfs/dbraw/zinc/95/16/80/169951680.db2.gz	CNHBYJNXWLKKGN-CABCVRRESA-N	2	0	249.402	2.390	10	30		BEEERP
CC[C@H](C)C[N@H+](C)Cc1ccccc1C#CC[NH3+]	ZINC000049609016	171275023	/nfs/dbraw/zinc/27/50/23/171275023.db2.gz	ORDFXWSBXQOKKH-AWEZNQCLSA-N	2	0	244.382	2.475	10	30		BEEERP
CC[C@H](C)[N@H+](C)Cc1ccc(C#CC[NH3+])cc1F	ZINC000049608836	171307371	/nfs/dbraw/zinc/30/73/71/171307371.db2.gz	GIBDGUVFCDTTQJ-LBPRGKRZSA-N	2	0	248.345	2.366	10	30		BEEERP
C[C@@H]1CCC[N@H+](Cc2ccc(C#CC[NH3+])cc2)C1	ZINC000049608461	176100362	/nfs/dbraw/zinc/10/03/62/176100362.db2.gz	LVMVROOQITVYHN-CQSZACIVSA-N	2	0	242.366	2.229	10	30		BEEERP
C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#CC[NH3+]	ZINC000049608294	176108766	/nfs/dbraw/zinc/10/87/66/176108766.db2.gz	GRFAXEKMRZPBKF-GFCCVEGCSA-N	2	0	246.329	2.120	10	30		BEEERP
CCC[N@H+](CC)Cc1cc(C#CC[NH3+])cs1	ZINC000043688882	582806294	/nfs/dbraw/zinc/80/62/94/582806294.db2.gz	ALFSUDXVCSWZLL-UHFFFAOYSA-N	2	0	236.384	2.290	10	30		BEEERP
C[C@@H]1C[NH2+]C[C@@]2(CCC[N@@H+]2CCCCC#N)C1	ZINC000757132839	643257428	/nfs/dbraw/zinc/25/74/28/643257428.db2.gz	RYTNFBMRPPAEDX-UONOGXRCSA-N	2	0	235.375	2.144	10	30		BEEERP
CCCCCCC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1	ZINC000708830808	712199973	/nfs/dbraw/zinc/19/99/73/712199973.db2.gz	PTURPYSIXRWEJD-STQMWFEESA-N	2	0	212.381	2.483	10	30		BEEERP
Cc1nccn1C[C@H]1CCC[N@@H+]1CCCCC#N	ZINC000178316914	346952383	/nfs/dbraw/zinc/95/23/83/346952383.db2.gz	BNZOPYJIZSXFGB-CQSZACIVSA-N	2	0	246.358	2.350	10	30		BEEERP
C=CC[C@H](CC)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1	ZINC000580181440	346616891	/nfs/dbraw/zinc/61/68/91/346616891.db2.gz	YVMXBTCYEHEULA-AVGNSLFASA-N	2	0	210.365	2.319	10	30		BEEERP
C=CC1([NH+]2C[C@H](C)C[C@@H](C)C2)CC[NH2+]CC1	ZINC000536956008	323966449	/nfs/dbraw/zinc/96/64/49/323966449.db2.gz	WCCUQNPNJWKUBI-CHWSQXEVSA-N	2	0	222.376	2.273	10	30		BEEERP
[NH3+]CCCC[NH+]=C1CCc2ccccc2N1	ZINC000013678630	181374341	/nfs/dbraw/zinc/37/43/41/181374341.db2.gz	WQLBUPYVQHVFMR-UHFFFAOYSA-N	2	0	217.316	2.182	10	30		BEEERP
C=CC1([N@@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1	ZINC000536954894	387167254	/nfs/dbraw/zinc/16/72/54/387167254.db2.gz	OQWRKVGEVQGJPQ-GFCCVEGCSA-N	2	0	208.349	2.027	10	30		BEEERP
CC(C)[C@@H](C)[N@H+](C)Cc1cccc(C#CC[NH3+])c1	ZINC000049609235	167368793	/nfs/dbraw/zinc/36/87/93/167368793.db2.gz	BEFKFJDIXNGDTO-CQSZACIVSA-N	2	0	244.382	2.473	10	30		BEEERP
CC1CC[NH+](Cc2ccc(C#CC[NH3+])cc2)CC1	ZINC000049608355	168184633	/nfs/dbraw/zinc/18/46/33/168184633.db2.gz	WERIIYRGIUFQCY-UHFFFAOYSA-N	2	0	242.366	2.229	10	30		BEEERP
C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1	ZINC000071141822	173381738	/nfs/dbraw/zinc/38/17/38/173381738.db2.gz	ZZEKBDJRCDVTMK-TZMCWYRMSA-N	2	0	243.354	2.161	10	30		BEEERP
C[C@H]1CCCC[N@@H+]1Cc1cccc(C#CC[NH3+])c1	ZINC000049608402	177077701	/nfs/dbraw/zinc/07/77/01/177077701.db2.gz	FMNBZINZQHJAHF-AWEZNQCLSA-N	2	0	242.366	2.371	10	30		BEEERP
C=CCC(C)(C)C[NH2+][C@H](C)[C@H]1CC[NH2+]C1	ZINC000400432825	527019811	/nfs/dbraw/zinc/01/98/11/527019811.db2.gz	KLMVKJFKBVQKAM-NEPJUHHUSA-N	2	0	210.365	2.176	10	30		BEEERP
C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2C#N)CC1	ZINC000054827644	640413581	/nfs/dbraw/zinc/41/35/81/640413581.db2.gz	YZAMZGTYERQYJK-UONOGXRCSA-N	2	0	235.375	2.000	10	30		BEEERP
C=CC[N@H+]1CCC[C@H](n2ccnc2CC)C1	ZINC000105897416	136363588	/nfs/dbraw/zinc/36/35/88/136363588.db2.gz	PHBPVKYYFGAXQC-LBPRGKRZSA-N	2	0	219.332	2.268	10	30		BEEERP
Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCCC#N	ZINC000178316895	346952037	/nfs/dbraw/zinc/95/20/37/346952037.db2.gz	BNZOPYJIZSXFGB-AWEZNQCLSA-N	2	0	246.358	2.350	10	30		BEEERP
C=CC[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1	ZINC000580181442	346616961	/nfs/dbraw/zinc/61/69/61/346616961.db2.gz	YVMXBTCYEHEULA-XQQFMLRXSA-N	2	0	210.365	2.319	10	30		BEEERP
CC#CC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1	ZINC000160089511	353252420	/nfs/dbraw/zinc/25/24/20/353252420.db2.gz	NJGAOVHHFPLXSC-AWEZNQCLSA-N	2	0	243.354	2.147	10	30		BEEERP
CCC[NH+]1CCC([C@H](C)[NH2+]C[C@H](C)C#N)CC1	ZINC000054180627	169191607	/nfs/dbraw/zinc/19/16/07/169191607.db2.gz	REQXGUDZHCZMEW-OLZOCXBDSA-N	2	0	237.391	2.246	10	30		BEEERP
C=CCCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1	ZINC000398091159	384800114	/nfs/dbraw/zinc/80/01/14/384800114.db2.gz	XYNRYQAIQODIPA-QWHCGFSZSA-N	2	0	210.365	2.463	10	30		BEEERP
C=CC[NH+](CC=C)CCOc1cccc(C[NH3+])c1	ZINC000052376574	166334497	/nfs/dbraw/zinc/33/44/97/166334497.db2.gz	ZZEWUEDWLJOBIC-UHFFFAOYSA-N	2	0	246.354	2.198	10	30		BEEERP
C=CC[NH+](CC=C)Cc1cccc(C[NH3+])c1	ZINC000031935003	166338380	/nfs/dbraw/zinc/33/83/80/166338380.db2.gz	LWWCMTRFHPFHEG-UHFFFAOYSA-N	2	0	216.328	2.319	10	30		BEEERP
C=CCC1([NH2+]C[C@H]2CCC[NH2+]C2)CCCC1	ZINC000656791415	411371126	/nfs/dbraw/zinc/37/11/26/411371126.db2.gz	FYCIVQDMNJBSRW-ZDUSSCGKSA-N	2	0	222.376	2.465	10	30		BEEERP
C=CCCC(C)(C)[NH2+]C[C@H]1CCC[NH2+]C1	ZINC000663507042	411690634	/nfs/dbraw/zinc/69/06/34/411690634.db2.gz	JBTZAKIGQHYGIN-LBPRGKRZSA-N	2	0	210.365	2.320	10	30		BEEERP
CC[C@H](C)[N@H+](C)Cc1ccc(F)cc1C#CC[NH3+]	ZINC000049608840	171308012	/nfs/dbraw/zinc/30/80/12/171308012.db2.gz	BMMVCENHVJBCQG-LBPRGKRZSA-N	2	0	248.345	2.366	10	30		BEEERP
C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH2+]CC1	ZINC000665230782	412167201	/nfs/dbraw/zinc/16/72/01/412167201.db2.gz	VWIADPNZYLYNSO-JSGCOSHPSA-N	2	0	222.376	2.463	10	30		BEEERP
C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#CC[NH3+]	ZINC000049608389	176073598	/nfs/dbraw/zinc/07/35/98/176073598.db2.gz	MLSNIEBVDFFTET-CQSZACIVSA-N	2	0	242.366	2.371	10	30		BEEERP
C[C@@H]1C[C@@H]1C[N@H+](C)Cc1cc(C#CC[NH3+])cs1	ZINC000104413733	176392425	/nfs/dbraw/zinc/39/24/25/176392425.db2.gz	NZXVYENCKBYCDC-DGCLKSJQSA-N	2	0	248.395	2.146	10	30		BEEERP
C[C@H]1C[C@H]1C[N@H+](C)Cc1ccc(C#CC[NH3+])s1	ZINC000104412193	177379139	/nfs/dbraw/zinc/37/91/39/177379139.db2.gz	MCVQSDUIZHNGFE-RYUDHWBXSA-N	2	0	248.395	2.146	10	30		BEEERP
C=CC(C)(C)CC[NH2+][C@H]1CCC[NH2+]CC1	ZINC000530212149	324527791	/nfs/dbraw/zinc/52/77/91/324527791.db2.gz	OXBRNKDOODWTDQ-LBPRGKRZSA-N	2	0	210.365	2.320	10	30		BEEERP
C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(C#N)cc1	ZINC000400533831	533975629	/nfs/dbraw/zinc/97/56/29/533975629.db2.gz	SMABOMDRYWCVOX-HUBLWGQQSA-N	2	0	243.354	2.207	10	30		BEEERP
[NH3+]CC#Cc1csc(C[NH+]2CCCCC2)c1	ZINC000043688834	582806140	/nfs/dbraw/zinc/80/61/40/582806140.db2.gz	FNSRUHZJJUAAHU-UHFFFAOYSA-N	2	0	234.368	2.044	10	30		BEEERP
C=CCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1	ZINC000400432826	527019583	/nfs/dbraw/zinc/01/95/83/527019583.db2.gz	KLMVKJFKBVQKAM-NWDGAFQWSA-N	2	0	210.365	2.176	10	30		BEEERP
C=CCC(C)(C)C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1	ZINC000400432827	527019751	/nfs/dbraw/zinc/01/97/51/527019751.db2.gz	KLMVKJFKBVQKAM-RYUDHWBXSA-N	2	0	210.365	2.176	10	30		BEEERP
CCCCCCC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1	ZINC000708830806	712199969	/nfs/dbraw/zinc/19/99/69/712199969.db2.gz	PTURPYSIXRWEJD-OLZOCXBDSA-N	2	0	212.381	2.483	10	30		BEEERP
C=C1CCC(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)CC1	ZINC000724444563	711581054	/nfs/dbraw/zinc/58/10/54/711581054.db2.gz	FYRMGVGFKVQKFR-OCCSQVGLSA-N	2	0	222.376	2.320	10	30		BEEERP
C=CCCSCC[NH2+]C1CCC([NH3+])CC1	ZINC000596649967	348605340	/nfs/dbraw/zinc/60/53/40/348605340.db2.gz	HSQBQPHJMDHWQP-UHFFFAOYSA-N	2	0	228.405	2.155	10	30		BEEERP
C=CCCSCC[NH2+][C@@H]1CCC[NH2+]CC1	ZINC000596649703	348605516	/nfs/dbraw/zinc/60/55/16/348605516.db2.gz	FISDGVCHLLETPS-GFCCVEGCSA-N	2	0	228.405	2.027	10	30		BEEERP
C=C(C[NH3+])C[N@H+](Cc1ccccc1)C(C)C	ZINC000231592923	350875558	/nfs/dbraw/zinc/87/55/58/350875558.db2.gz	DBABWMBPAVAYBA-UHFFFAOYSA-N	2	0	218.344	2.412	10	30		BEEERP
C=CC(C)(C)CC[NH2+][C@@H]1CCC[NH2+]CC1	ZINC000530212148	324527914	/nfs/dbraw/zinc/52/79/14/324527914.db2.gz	OXBRNKDOODWTDQ-GFCCVEGCSA-N	2	0	210.365	2.320	10	30		BEEERP
C=CCC(C)(C)C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1	ZINC000400432828	527020207	/nfs/dbraw/zinc/02/02/07/527020207.db2.gz	KLMVKJFKBVQKAM-VXGBXAGGSA-N	2	0	210.365	2.176	10	30		BEEERP
C[C@@H]1CCCC[N@@H+]1Cc1cc(C#CC[NH3+])cs1	ZINC000043688793	582805771	/nfs/dbraw/zinc/80/57/71/582805771.db2.gz	RHEZYSPYZWNHIN-GFCCVEGCSA-N	2	0	248.395	2.433	10	30		BEEERP
C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2C#N)CC1	ZINC000054827636	640414026	/nfs/dbraw/zinc/41/40/26/640414026.db2.gz	YZAMZGTYERQYJK-ZIAGYGMSSA-N	2	0	235.375	2.000	10	30		BEEERP
C=CC[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C	ZINC000130747745	368140177	/nfs/dbraw/zinc/14/01/77/368140177.db2.gz	SCSVYTFEJLPBRN-HIFRSBDPSA-N	2	0	230.355	2.283	10	30		BEEERP
CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1	ZINC000192717132	387525784	/nfs/dbraw/zinc/52/57/84/387525784.db2.gz	SSCKGVQSOKTNKF-MJBXVCDLSA-N	2	0	235.375	2.143	10	30		BEEERP
C=CCC1([NH2+]C[C@@H]2CCC[NH2+]C2)CCCC1	ZINC000656791414	411370364	/nfs/dbraw/zinc/37/03/64/411370364.db2.gz	FYCIVQDMNJBSRW-CYBMUJFWSA-N	2	0	222.376	2.465	10	30		BEEERP
C=CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH2+]CC1	ZINC000665230781	412167463	/nfs/dbraw/zinc/16/74/63/412167463.db2.gz	VWIADPNZYLYNSO-GXTWGEPZSA-N	2	0	222.376	2.463	10	30		BEEERP
C[C@H]1C[C@@H]1C[N@H+](C)Cc1ccc(C#CC[NH3+])s1	ZINC000104412187	177342444	/nfs/dbraw/zinc/34/24/44/177342444.db2.gz	MCVQSDUIZHNGFE-NWDGAFQWSA-N	2	0	248.395	2.146	10	30		BEEERP
C=CCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1	ZINC000400327074	527296828	/nfs/dbraw/zinc/29/68/28/527296828.db2.gz	ARGKSVUIVXXONR-RWMBFGLXSA-N	2	0	210.365	2.319	10	30		BEEERP