smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCC[N+]1(CC)CCCCC1	ZINC000001559727	717088519	/nfs/dbraw/zinc/08/85/19/717088519.db2.gz	LEUGKTPQPGHFDC-UHFFFAOYSA-N	1	0	226.428	4.368	10	30		BIEERO
Cc1ccccc1N/C=[NH+]/c1ccccc1C	ZINC000001758226	179244981	/nfs/dbraw/zinc/24/49/81/179244981.db2.gz	XPSKKIFRDZCDFN-UHFFFAOYSA-N	1	0	224.307	4.075	10	30		BIEERO
C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCCCC1	ZINC000004428141	188585220	/nfs/dbraw/zinc/58/52/20/188585220.db2.gz	GSRYQNZFSSRMRT-UKRRQHHQSA-N	1	0	221.388	4.044	10	30		BIEERO
CC(C)(C)CC(C)(C)/[NH+]=C/c1ccccc1	ZINC000018169177	369569535	/nfs/dbraw/zinc/56/95/35/369569535.db2.gz	IFZQMWYTFOSJPZ-LFIBNONCSA-N	1	0	217.356	4.320	10	30		BIEERO
C=CC[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1	ZINC000019875828	187205909	/nfs/dbraw/zinc/20/59/09/187205909.db2.gz	PXXLLHGVRHSZTD-CQSZACIVSA-N	1	0	237.346	4.190	10	30		BIEERO
C=CC[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1	ZINC000019875829	385154817	/nfs/dbraw/zinc/15/48/17/385154817.db2.gz	PXXLLHGVRHSZTD-AWEZNQCLSA-N	1	0	237.346	4.190	10	30		BIEERO
C=CC[N@@H+](CC)C1(c2ccccc2)CCCCC1	ZINC000028258687	166326357	/nfs/dbraw/zinc/32/63/57/166326357.db2.gz	WLXNXBJFLLQZLF-UHFFFAOYSA-N	1	0	243.394	4.354	10	30		BIEERO
C=CC[N+](CCCC)(CCCC)CCCC	ZINC000033637660	717121410	/nfs/dbraw/zinc/12/14/10/717121410.db2.gz	FVTLZJPHMIVATA-UHFFFAOYSA-N	1	0	226.428	4.390	10	30		BIEERO
Cc1cccc(/C=[NH+]/C2CCCCC2)c1C	ZINC000034062016	343263907	/nfs/dbraw/zinc/26/39/07/343263907.db2.gz	UXCSEMBJVAHTID-LFIBNONCSA-N	1	0	215.340	4.055	10	30		BIEERO
Cc1ccc(C)c(/C=[NH+]/C2CCCCC2)c1	ZINC000034062252	343263899	/nfs/dbraw/zinc/26/38/99/343263899.db2.gz	CCUCDWLUDUCKRJ-LFIBNONCSA-N	1	0	215.340	4.055	10	30		BIEERO
CCCC[C@H](CC)C[S@@+](CC)C[C@@H](C)C#N	ZINC000034064322	343263714	/nfs/dbraw/zinc/26/37/14/343263714.db2.gz	LHOMQRZZXSIPDI-OFQRWUPVSA-N	1	0	242.452	4.001	10	30		BIEERO
CCCC[C@H](CC)C[S@+](CC)C[C@@H](C)C#N	ZINC000034064324	169000045	/nfs/dbraw/zinc/00/00/45/169000045.db2.gz	LHOMQRZZXSIPDI-DZKIICNBSA-N	1	0	242.452	4.001	10	30		BIEERO
C/C(=[NH+]\[C@@H](C)c1ccccc1)C(C)(C)C	ZINC000034624331	343276274	/nfs/dbraw/zinc/27/62/74/343276274.db2.gz	QVIZUGLHOSPSQD-NUFCYMDASA-N	1	0	203.329	4.255	10	30		BIEERO
C#CC[N@@H+](C)[C@H](C)CCCCCCCCCC	ZINC000034801125	166160020	/nfs/dbraw/zinc/16/00/20/166160020.db2.gz	VAFDRBJZVFFWNL-MRXNPFEDSA-N	1	0	237.431	4.471	10	30		BIEERO
C#CC[N@@H+](C)[C@@H](C)CCCCCCCCCC	ZINC000034801127	384670141	/nfs/dbraw/zinc/67/01/41/384670141.db2.gz	VAFDRBJZVFFWNL-INIZCTEOSA-N	1	0	237.431	4.471	10	30		BIEERO
CCCCCCCCCCC[N+](C)(C)C	ZINC000038158615	717125644	/nfs/dbraw/zinc/12/56/44/717125644.db2.gz	QDUATGYYXKDLEI-UHFFFAOYSA-N	1	0	214.417	4.223	10	30		BIEERO
CCCCCCCCCCCC[NH2+]CCOC	ZINC000038158623	358124433	/nfs/dbraw/zinc/12/44/33/358124433.db2.gz	OKQGBOSOJQDKFB-UHFFFAOYSA-N	1	0	243.435	4.143	10	30		BIEERO
C=CCc1cccc([C@@H]2CCC[N@@H+](CCC)C2)c1	ZINC000038525408	350112128	/nfs/dbraw/zinc/11/21/28/350112128.db2.gz	YCOYVHRSUJTZLM-QGZVFWFLSA-N	1	0	243.394	4.005	10	30		BIEERO
C=CC[C@H]([NH2+]CC)c1cccc2ccccc21	ZINC000054439333	187707981	/nfs/dbraw/zinc/70/79/81/187707981.db2.gz	BIDPBWXLXJEGPX-INIZCTEOSA-N	1	0	225.335	4.067	10	30		BIEERO
C=CC[C@@H]([NH2+]CC)c1cccc2ccccc21	ZINC000054439336	188222359	/nfs/dbraw/zinc/22/23/59/188222359.db2.gz	BIDPBWXLXJEGPX-MRXNPFEDSA-N	1	0	225.335	4.067	10	30		BIEERO
CCCC1CCC([NH2+][C@@H]2CCCC[C@@H]2C#N)CC1	ZINC000054827085	168605891	/nfs/dbraw/zinc/60/58/91/168605891.db2.gz	AKWAGGYLRZOWPY-GYTBAZASSA-N	1	0	248.414	4.017	10	30		BIEERO
CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)C1CCCCC1	ZINC000054829704	171547556	/nfs/dbraw/zinc/54/75/56/171547556.db2.gz	YTSFRCGBUHJETO-PMPSAXMXSA-N	1	0	248.414	4.017	10	30		BIEERO
CCCCCCC[NH2+][C@@H]1CCCC[C@@H]1C	ZINC000059055186	168655888	/nfs/dbraw/zinc/65/58/88/168655888.db2.gz	WJOFNRNSJCSNRA-UONOGXRCSA-N	1	0	211.393	4.125	10	30		BIEERO
CCCCCCC[NH2+][C@H]1CCCC[C@@H]1C	ZINC000059055189	168655237	/nfs/dbraw/zinc/65/52/37/168655237.db2.gz	WJOFNRNSJCSNRA-KBPBESRZSA-N	1	0	211.393	4.125	10	30		BIEERO
CCCCCCC[NH2+][C@@H]1CCCC[C@H]1C	ZINC000059055192	168655771	/nfs/dbraw/zinc/65/57/71/168655771.db2.gz	WJOFNRNSJCSNRA-ZIAGYGMSSA-N	1	0	211.393	4.125	10	30		BIEERO
CCCCCCCCC[NH2+]CCC(C)C	ZINC000059055622	168651981	/nfs/dbraw/zinc/65/19/81/168651981.db2.gz	ZMEWBFYBKXPRNJ-UHFFFAOYSA-N	1	0	213.409	4.373	10	30		BIEERO
CCCCCCCCO[C@@H]1CCCCC[C@@H]1[NH3+]	ZINC000059083706	168654474	/nfs/dbraw/zinc/65/44/74/168654474.db2.gz	SMDWYDGVLPCGGA-LSDHHAIUSA-N	1	0	241.419	4.024	10	30		BIEERO
CCCCCCCCOc1ccc([C@@H](C)[NH3+])cc1	ZINC000059087983	168654086	/nfs/dbraw/zinc/65/40/86/168654086.db2.gz	QQDNPAXVANGDIE-CQSZACIVSA-N	1	0	249.398	4.446	10	30		BIEERO
CCCCCCCOc1ccccc1[C@@H]([NH3+])CC	ZINC000059088219	168657162	/nfs/dbraw/zinc/65/71/62/168657162.db2.gz	SQJPERFSANXUCA-HNNXBMFYSA-N	1	0	249.398	4.446	10	30		BIEERO
CCCCCCCOc1c(C)cc(C[NH3+])cc1C	ZINC000059088234	168656811	/nfs/dbraw/zinc/65/68/11/168656811.db2.gz	OOFFWXPEZLSIFJ-UHFFFAOYSA-N	1	0	249.398	4.111	10	30		BIEERO
CCCCCCC[NH2+][C@@H]1CCc2ccccc21	ZINC000059090640	168655897	/nfs/dbraw/zinc/65/58/97/168655897.db2.gz	LPZIGLNUXCHPOC-MRXNPFEDSA-N	1	0	231.383	4.234	10	30		BIEERO
CCCCCCC[NH2+][C@H]1CCc2ccccc21	ZINC000059090642	168655829	/nfs/dbraw/zinc/65/58/29/168655829.db2.gz	LPZIGLNUXCHPOC-INIZCTEOSA-N	1	0	231.383	4.234	10	30		BIEERO
CCCCCCCOc1cccc([C@H](C)[NH2+]C)c1	ZINC000059179077	168657266	/nfs/dbraw/zinc/65/72/66/168657266.db2.gz	KHMJRGYCYZBJFB-AWEZNQCLSA-N	1	0	249.398	4.316	10	30		BIEERO
CCCCCCC[C@@H]([NH2+]C)c1ccc(F)cc1	ZINC000059276908	168656934	/nfs/dbraw/zinc/65/69/34/168656934.db2.gz	VBJNRJOYJLKHNP-OAHLLOKOSA-N	1	0	237.362	4.447	10	30		BIEERO
C#CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1	ZINC000070197429	643460659	/nfs/dbraw/zinc/46/06/59/643460659.db2.gz	RPXGYPZSHDXWDG-HNNXBMFYSA-N	1	0	249.357	4.028	10	30		BIEERO
C#CCC[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1	ZINC000070197430	643460562	/nfs/dbraw/zinc/46/05/62/643460562.db2.gz	RPXGYPZSHDXWDG-OAHLLOKOSA-N	1	0	249.357	4.028	10	30		BIEERO
C=C(Cc1[nH+]ccc2[nH]ccc21)CC(C)(C)C	ZINC000089220740	387150551	/nfs/dbraw/zinc/15/05/51/387150551.db2.gz	LLJLNDUCDAPNQI-UHFFFAOYSA-N	1	0	228.339	4.098	10	30		BIEERO
SCC[NH2+]CCCCCCCC1CCCC1	ZINC000096328032	526388055	/nfs/dbraw/zinc/38/80/55/526388055.db2.gz	QRNKCOCINRRHLQ-UHFFFAOYSA-N	1	0	243.460	4.037	10	30		BIEERO
C/C(CC(C)C)=N\CC/[NH+]=C(\C)CC(C)C	ZINC000100083600	356292942	/nfs/dbraw/zinc/29/29/42/356292942.db2.gz	FCBJYQXWWPKMPJ-WXUKJITCSA-N	1	0	224.392	4.000	10	30		BIEERO
CCCCCCCO[C@@H](c1ccccc1)[C@@H](C)[NH3+]	ZINC000103447781	168655677	/nfs/dbraw/zinc/65/56/77/168655677.db2.gz	ZMXZMKOQSLEPGU-GDBMZVCRSA-N	1	0	249.398	4.062	10	30		BIEERO
CCCCCCCCO[C@@H](C)CCC[NH2+]CC	ZINC000103595426	168654405	/nfs/dbraw/zinc/65/44/05/168654405.db2.gz	XESUHCXBVYMBIO-HNNXBMFYSA-N	1	0	243.435	4.142	10	30		BIEERO
CCCCCCCC[C@H]([NH2+]C)c1cccnc1	ZINC000103641795	168653842	/nfs/dbraw/zinc/65/38/42/168653842.db2.gz	HRIWWZYLEKUDBD-HNNXBMFYSA-N	1	0	234.387	4.093	10	30		BIEERO
CCCCCCC[C@H]([NH3+])c1cc(F)cc(F)c1	ZINC000103642374	168657941	/nfs/dbraw/zinc/65/79/41/168657941.db2.gz	DFQXBSQFDIQBFH-AWEZNQCLSA-N	1	0	241.325	4.325	10	30		BIEERO
CCCCCCCCCC[C@H](CCOC)[NH2+]C	ZINC000103929595	168649934	/nfs/dbraw/zinc/64/99/34/168649934.db2.gz	IEHPTFPWRKSXSH-OAHLLOKOSA-N	1	0	243.435	4.142	10	30		BIEERO
CCCCCCCCCCC[C@@H](COC)[NH2+]C	ZINC000103930427	168650625	/nfs/dbraw/zinc/65/06/25/168650625.db2.gz	MEVSIERKQPZTTE-HNNXBMFYSA-N	1	0	243.435	4.142	10	30		BIEERO
CCCCCCCCOC(C)(C)C[NH2+]CCC	ZINC000104001874	168654223	/nfs/dbraw/zinc/65/42/23/168654223.db2.gz	NWWLIPQBOHOKDA-UHFFFAOYSA-N	1	0	243.435	4.142	10	30		BIEERO
CCCCCCCCOCC[NH2+]C(C)(C)CC	ZINC000104013011	168654660	/nfs/dbraw/zinc/65/46/60/168654660.db2.gz	PGIJXPMCYSLWPA-UHFFFAOYSA-N	1	0	243.435	4.142	10	30		BIEERO
CCCCCCCCO[C@@H](C)C[NH2+]CCCC	ZINC000104014838	168654543	/nfs/dbraw/zinc/65/45/43/168654543.db2.gz	ZGNNNRFILRZXMW-HNNXBMFYSA-N	1	0	243.435	4.142	10	30		BIEERO
CCCCCCCCOCC[NH2+][C@H](C)CCC	ZINC000104014852	168653903	/nfs/dbraw/zinc/65/39/03/168653903.db2.gz	FSXGUVWSGODAMD-OAHLLOKOSA-N	1	0	243.435	4.142	10	30		BIEERO
C(=[NH+]/C12CC3CC(CC(C3)C1)C2)\c1ccccc1	ZINC000105322572	368421923	/nfs/dbraw/zinc/42/19/23/368421923.db2.gz	ARZVPKSLBSRXIG-LDADJPATSA-N	1	0	239.362	4.074	10	30		BIEERO
CCCCCCCCCC[NH2+]CC(C)C	ZINC000105552290	168650616	/nfs/dbraw/zinc/65/06/16/168650616.db2.gz	VZGZRNBITABRSQ-UHFFFAOYSA-N	1	0	213.409	4.373	10	30		BIEERO
CCCCCCCC[NH2+]C[C@H](C)CCC	ZINC000106197612	168652802	/nfs/dbraw/zinc/65/28/02/168652802.db2.gz	JGLQEXRVBOHADE-CQSZACIVSA-N	1	0	213.409	4.373	10	30		BIEERO
CCCCCCCC[C@H]([NH3+])c1ccccc1	ZINC000106565544	369123551	/nfs/dbraw/zinc/12/35/51/369123551.db2.gz	SUSNLCROJXNVRH-HNNXBMFYSA-N	1	0	219.372	4.437	10	30		BIEERO
CCCCCCCC[C@@H]([NH3+])c1ccccc1	ZINC000106565547	369123292	/nfs/dbraw/zinc/12/32/92/369123292.db2.gz	SUSNLCROJXNVRH-OAHLLOKOSA-N	1	0	219.372	4.437	10	30		BIEERO
SCC[NH2+]C1CCCCCCCCCCC1	ZINC000107771220	360170844	/nfs/dbraw/zinc/17/08/44/360170844.db2.gz	BMUAVSAYVWVPSQ-UHFFFAOYSA-N	1	0	243.460	4.179	10	30		BIEERO
CCCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N	ZINC000108646447	588480795	/nfs/dbraw/zinc/48/07/95/588480795.db2.gz	LLRHQGFSUMPRJF-RRFJBIMHSA-N	1	0	236.403	4.017	10	30		BIEERO
CCCCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N	ZINC000108646454	588480765	/nfs/dbraw/zinc/48/07/65/588480765.db2.gz	LLRHQGFSUMPRJF-ZNMIVQPWSA-N	1	0	236.403	4.017	10	30		BIEERO
CCCCCCC[C@H](CC)[C@@H](C)[NH2+]CC	ZINC000109304657	168657644	/nfs/dbraw/zinc/65/76/44/168657644.db2.gz	JXLKUVSLLOHKSQ-KGLIPLIRSA-N	1	0	213.409	4.371	10	30		BIEERO
CCCCCCC[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C	ZINC000110462119	168656711	/nfs/dbraw/zinc/65/67/11/168656711.db2.gz	NLJANKVVRGUYRV-NVXWUHKLSA-N	1	0	245.410	4.480	10	30		BIEERO
CCCCCCC[C@H]1Cc2ccccc2[C@@H]1[NH2+]C	ZINC000110462121	168658249	/nfs/dbraw/zinc/65/82/49/168658249.db2.gz	NLJANKVVRGUYRV-DOTOQJQBSA-N	1	0	245.410	4.480	10	30		BIEERO
CCCCCCC[C@H]1Cc2ccccc2[C@H]1[NH2+]C	ZINC000110462126	168658268	/nfs/dbraw/zinc/65/82/68/168658268.db2.gz	NLJANKVVRGUYRV-RDJZCZTQSA-N	1	0	245.410	4.480	10	30		BIEERO
CCCC/[NH+]=C/c1c(CC)cccc1CC	ZINC000113563517	368895773	/nfs/dbraw/zinc/89/57/73/368895773.db2.gz	GGISGBNENIIPFZ-FOWTUZBSSA-N	1	0	217.356	4.030	10	30		BIEERO
CCCCCCCC[N+](CC)(CC)CC	ZINC000113592915	717149531	/nfs/dbraw/zinc/14/95/31/717149531.db2.gz	JHNACYHGMDXEMK-UHFFFAOYSA-N	1	0	214.417	4.223	10	30		BIEERO
CCCCCCCCCC[N+]1(C)CCCC1	ZINC000113684306	717149666	/nfs/dbraw/zinc/14/96/66/717149666.db2.gz	YPKUOQRBNZPMAE-UHFFFAOYSA-N	1	0	226.428	4.368	10	30		BIEERO
C=CCC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1	ZINC000126682423	324709590	/nfs/dbraw/zinc/70/95/90/324709590.db2.gz	TYBMLBNDRBCXNU-UWVGGRQHSA-N	1	0	243.803	4.407	10	30		BIEERO
C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1	ZINC000126682631	324709973	/nfs/dbraw/zinc/70/99/73/324709973.db2.gz	TYBMLBNDRBCXNU-ZJUUUORDSA-N	1	0	243.803	4.407	10	30		BIEERO
C=CCC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1	ZINC000126682854	388699570	/nfs/dbraw/zinc/69/95/70/388699570.db2.gz	TYBMLBNDRBCXNU-VHSXEESVSA-N	1	0	243.803	4.407	10	30		BIEERO
C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1	ZINC000126683068	388699553	/nfs/dbraw/zinc/69/95/53/388699553.db2.gz	TYBMLBNDRBCXNU-NXEZZACHSA-N	1	0	243.803	4.407	10	30		BIEERO
C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1	ZINC000130541675	325065099	/nfs/dbraw/zinc/06/50/99/325065099.db2.gz	PRZFULNTNPJHLX-SDDRHHMPSA-N	1	0	249.320	4.052	10	30		BIEERO
C=CCC[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1	ZINC000130542099	325064795	/nfs/dbraw/zinc/06/47/95/325064795.db2.gz	PRZFULNTNPJHLX-SRVKXCTJSA-N	1	0	249.320	4.052	10	30		BIEERO
C=CCC[C@H](C)[NH2+]C1CCC(C(F)(F)F)CC1	ZINC000130543366	325064932	/nfs/dbraw/zinc/06/49/32/325064932.db2.gz	OQTKKLBNHGSVAM-UNXYVOJBSA-N	1	0	249.320	4.052	10	30		BIEERO
C=CCC[C@@H](C)[NH2+]C1CCC(C(F)(F)F)CC1	ZINC000130543565	325064943	/nfs/dbraw/zinc/06/49/43/325064943.db2.gz	OQTKKLBNHGSVAM-VOMCLLRMSA-N	1	0	249.320	4.052	10	30		BIEERO
C=CCC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1	ZINC000132032159	191023503	/nfs/dbraw/zinc/02/35/03/191023503.db2.gz	ZOVPPCWKTQRHJY-NWDGAFQWSA-N	1	0	237.774	4.345	10	30		BIEERO
C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1	ZINC000132032372	191023458	/nfs/dbraw/zinc/02/34/58/191023458.db2.gz	ZOVPPCWKTQRHJY-VXGBXAGGSA-N	1	0	237.774	4.345	10	30		BIEERO
C=CCC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1	ZINC000132032569	386216416	/nfs/dbraw/zinc/21/64/16/386216416.db2.gz	ZOVPPCWKTQRHJY-RYUDHWBXSA-N	1	0	237.774	4.345	10	30		BIEERO
C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1	ZINC000132032777	386216201	/nfs/dbraw/zinc/21/62/01/386216201.db2.gz	ZOVPPCWKTQRHJY-NEPJUHHUSA-N	1	0	237.774	4.345	10	30		BIEERO
C=CCC[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1	ZINC000132034599	191022988	/nfs/dbraw/zinc/02/29/88/191022988.db2.gz	CYTUPFCMTJBVBU-RYUDHWBXSA-N	1	0	237.774	4.345	10	30		BIEERO
C=CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1	ZINC000132034789	191883013	/nfs/dbraw/zinc/88/30/13/191883013.db2.gz	CYTUPFCMTJBVBU-NEPJUHHUSA-N	1	0	237.774	4.345	10	30		BIEERO
C=CCC[C@H](C)[NH2+][C@H](C)c1ccccc1C	ZINC000132035068	191023444	/nfs/dbraw/zinc/02/34/44/191023444.db2.gz	WCSCFZMGZMEMNN-UONOGXRCSA-N	1	0	217.356	4.000	10	30		BIEERO
C=CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1C	ZINC000132035270	191022694	/nfs/dbraw/zinc/02/26/94/191022694.db2.gz	WCSCFZMGZMEMNN-ZIAGYGMSSA-N	1	0	217.356	4.000	10	30		BIEERO
C=CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1C	ZINC000132035463	191883431	/nfs/dbraw/zinc/88/34/31/191883431.db2.gz	WCSCFZMGZMEMNN-KBPBESRZSA-N	1	0	217.356	4.000	10	30		BIEERO
C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1C	ZINC000132035689	191023483	/nfs/dbraw/zinc/02/34/83/191023483.db2.gz	WCSCFZMGZMEMNN-KGLIPLIRSA-N	1	0	217.356	4.000	10	30		BIEERO
C=CCC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1OC	ZINC000135711586	388506030	/nfs/dbraw/zinc/50/60/30/388506030.db2.gz	RQNOCQCKIILHDX-UONOGXRCSA-N	1	0	247.382	4.009	10	30		BIEERO
C=CCC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1OC	ZINC000135711620	325424203	/nfs/dbraw/zinc/42/42/03/325424203.db2.gz	RQNOCQCKIILHDX-KBPBESRZSA-N	1	0	247.382	4.009	10	30		BIEERO
C=CCC[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1OC	ZINC000135711651	388506637	/nfs/dbraw/zinc/50/66/37/388506637.db2.gz	RQNOCQCKIILHDX-ZIAGYGMSSA-N	1	0	247.382	4.009	10	30		BIEERO
C=CCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1OC	ZINC000135711690	325424255	/nfs/dbraw/zinc/42/42/55/325424255.db2.gz	RQNOCQCKIILHDX-KGLIPLIRSA-N	1	0	247.382	4.009	10	30		BIEERO
C=CCC[C@H](C)[NH2+][C@H](C)c1ccc(OCC)cc1	ZINC000135712089	538116577	/nfs/dbraw/zinc/11/65/77/538116577.db2.gz	KOJPKZJJXFKTLT-UONOGXRCSA-N	1	0	247.382	4.091	10	30		BIEERO
C=CCC[C@H](C)[NH2+][C@@H](C)c1ccc(OCC)cc1	ZINC000135712123	538116566	/nfs/dbraw/zinc/11/65/66/538116566.db2.gz	KOJPKZJJXFKTLT-KBPBESRZSA-N	1	0	247.382	4.091	10	30		BIEERO
C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc(OCC)cc1	ZINC000135712158	538116501	/nfs/dbraw/zinc/11/65/01/538116501.db2.gz	KOJPKZJJXFKTLT-ZIAGYGMSSA-N	1	0	247.382	4.091	10	30		BIEERO
C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC)cc1	ZINC000135712188	538116519	/nfs/dbraw/zinc/11/65/19/538116519.db2.gz	KOJPKZJJXFKTLT-KGLIPLIRSA-N	1	0	247.382	4.091	10	30		BIEERO
C=CCC[C@H](C)[NH2+][C@H](C)c1ccc(C)c(F)c1	ZINC000135740491	388507015	/nfs/dbraw/zinc/50/70/15/388507015.db2.gz	PABAAOCHYISOLJ-QWHCGFSZSA-N	1	0	235.346	4.139	10	30		BIEERO
C=CCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1	ZINC000135740527	387937031	/nfs/dbraw/zinc/93/70/31/387937031.db2.gz	PABAAOCHYISOLJ-STQMWFEESA-N	1	0	235.346	4.139	10	30		BIEERO
C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(F)c1	ZINC000135740566	388507003	/nfs/dbraw/zinc/50/70/03/388507003.db2.gz	PABAAOCHYISOLJ-CHWSQXEVSA-N	1	0	235.346	4.139	10	30		BIEERO
C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1	ZINC000135740606	325425632	/nfs/dbraw/zinc/42/56/32/325425632.db2.gz	PABAAOCHYISOLJ-OLZOCXBDSA-N	1	0	235.346	4.139	10	30		BIEERO
C=C(Cl)C[NH2+][C@H](C)c1ccc(C(C)C)cc1	ZINC000135833187	592060246	/nfs/dbraw/zinc/06/02/46/592060246.db2.gz	XEDRKUXCPQNDLB-GFCCVEGCSA-N	1	0	237.774	4.213	10	30		BIEERO
C=C(Cl)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1	ZINC000135833223	592059796	/nfs/dbraw/zinc/05/97/96/592059796.db2.gz	XEDRKUXCPQNDLB-LBPRGKRZSA-N	1	0	237.774	4.213	10	30		BIEERO
CCCCCCCCCNc1cc[nH+]cc1	ZINC000138229531	345805740	/nfs/dbraw/zinc/80/57/40/345805740.db2.gz	LBUMIVUAXZFMCR-UHFFFAOYSA-N	1	0	220.360	4.244	10	30		BIEERO
C=C1CCC([NH3+])(c2cccc(C(C)(C)C)c2)CC1	ZINC000141249317	384668255	/nfs/dbraw/zinc/66/82/55/384668255.db2.gz	IJTWAKDGYQDRRK-UHFFFAOYSA-N	1	0	243.394	4.268	10	30		BIEERO
C=C1CCC[C@]([NH3+])(c2cccc(C(C)(C)C)c2)C1	ZINC000142045281	344065160	/nfs/dbraw/zinc/06/51/60/344065160.db2.gz	JGGKRMOIEBTJLW-QGZVFWFLSA-N	1	0	243.394	4.268	10	30		BIEERO
C=C1CCC[C@@]([NH3+])(c2cccc(C(C)(C)C)c2)C1	ZINC000142045495	398343757	/nfs/dbraw/zinc/34/37/57/398343757.db2.gz	JGGKRMOIEBTJLW-KRWDZBQOSA-N	1	0	243.394	4.268	10	30		BIEERO
C=CCC([NH3+])(CC=C)c1cccc(C(C)C)c1	ZINC000148292526	342789911	/nfs/dbraw/zinc/78/99/11/342789911.db2.gz	VHFNATHDLBJJCI-UHFFFAOYSA-N	1	0	229.367	4.116	10	30		BIEERO
C=CCC[C@H](C)[NH2+][C@@H](CC)c1ccccc1	ZINC000159234709	134766628	/nfs/dbraw/zinc/76/66/28/134766628.db2.gz	WEIJOYCAIYDTHJ-ZFWWWQNUSA-N	1	0	217.356	4.082	10	30		BIEERO
C=CCC[C@H](C)[NH2+][C@H](CC)c1ccccc1	ZINC000159234803	345416684	/nfs/dbraw/zinc/41/66/84/345416684.db2.gz	WEIJOYCAIYDTHJ-DZGCQCFKSA-N	1	0	217.356	4.082	10	30		BIEERO
C=CCC[C@@H](C)[NH2+][C@@H](CC)c1ccccc1	ZINC000159234920	345417348	/nfs/dbraw/zinc/41/73/48/345417348.db2.gz	WEIJOYCAIYDTHJ-HIFRSBDPSA-N	1	0	217.356	4.082	10	30		BIEERO
C=CCC[C@@H](C)[NH2+][C@H](CC)c1ccccc1	ZINC000159235047	345417481	/nfs/dbraw/zinc/41/74/81/345417481.db2.gz	WEIJOYCAIYDTHJ-UKRRQHHQSA-N	1	0	217.356	4.082	10	30		BIEERO
C=C(C)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1	ZINC000160186040	201706753	/nfs/dbraw/zinc/70/67/53/201706753.db2.gz	ULQGAUXCEVVBNT-VIFPVBQESA-N	1	0	244.165	4.220	10	30		BIEERO
C=C(C)C[NH2+][C@H](C)c1ccc(C(C)C)cc1	ZINC000160759546	388087402	/nfs/dbraw/zinc/08/74/02/388087402.db2.gz	FMKKWFHIHOIZEM-CYBMUJFWSA-N	1	0	217.356	4.037	10	30		BIEERO
C=C(C)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1	ZINC000160759662	388087987	/nfs/dbraw/zinc/08/79/87/388087987.db2.gz	FMKKWFHIHOIZEM-ZDUSSCGKSA-N	1	0	217.356	4.037	10	30		BIEERO
C=C(C)C[NH2+][C@H](C)c1ccc(CC(C)C)cc1	ZINC000161009329	385929628	/nfs/dbraw/zinc/92/96/28/385929628.db2.gz	IEYYXLGOMVSSSZ-CQSZACIVSA-N	1	0	231.383	4.112	10	30		BIEERO
C=C(C)C[NH2+][C@@H](C)c1ccc(CC(C)C)cc1	ZINC000161009448	219904807	/nfs/dbraw/zinc/90/48/07/219904807.db2.gz	IEYYXLGOMVSSSZ-AWEZNQCLSA-N	1	0	231.383	4.112	10	30		BIEERO
C=C(C)C[NH2+][C@@H](C)c1ccc2ccccc2c1	ZINC000161029414	384585808	/nfs/dbraw/zinc/58/58/08/384585808.db2.gz	SZFAEXURBLKYJH-ZDUSSCGKSA-N	1	0	225.335	4.067	10	30		BIEERO
C=C(C)C[NH2+][C@H](C)c1ccc2ccccc2c1	ZINC000161029508	384592467	/nfs/dbraw/zinc/59/24/67/384592467.db2.gz	SZFAEXURBLKYJH-CYBMUJFWSA-N	1	0	225.335	4.067	10	30		BIEERO
C/C(=C\C=[NH+]\C(C)(C)C)C[Si](C)(C)C	ZINC000195751511	411277681	/nfs/dbraw/zinc/27/76/81/411277681.db2.gz	BOLUBIYKJJKYQE-BLTLMDCKSA-N	1	0	211.425	4.140	10	30		BIEERO
C=CCCC[NH2+]Cc1ccc(C(C)(C)C)cc1	ZINC000204477015	343569607	/nfs/dbraw/zinc/56/96/07/343569607.db2.gz	RFFVNNHDEKEIFS-UHFFFAOYSA-N	1	0	231.383	4.040	10	30		BIEERO
SCC[NH2+]CCCCCC1CCCCCC1	ZINC000204954106	385644715	/nfs/dbraw/zinc/64/47/15/385644715.db2.gz	XTSWTGUTOIMSLZ-UHFFFAOYSA-N	1	0	243.460	4.037	10	30		BIEERO
C/C(CCc1ccccc1)=[NH+]\Cc1ccccc1	ZINC000224692676	487964204	/nfs/dbraw/zinc/96/42/04/487964204.db2.gz	QZCKMJLPQTVDML-OBGWFSINSA-N	1	0	237.346	4.280	10	30		BIEERO
C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000230658372	388829481	/nfs/dbraw/zinc/82/94/81/388829481.db2.gz	PRZFULNTNPJHLX-QJPTWQEYSA-N	1	0	249.320	4.052	10	30		BIEERO
C=CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000230658382	259648487	/nfs/dbraw/zinc/64/84/87/259648487.db2.gz	PRZFULNTNPJHLX-TUAOUCFPSA-N	1	0	249.320	4.052	10	30		BIEERO
CCCCCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N	ZINC000250821599	712834884	/nfs/dbraw/zinc/83/48/84/712834884.db2.gz	LLRHQGFSUMPRJF-KKUMJFAQSA-N	1	0	236.403	4.017	10	30		BIEERO
CCCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N	ZINC000250821601	712834928	/nfs/dbraw/zinc/83/49/28/712834928.db2.gz	LLRHQGFSUMPRJF-SOUVJXGZSA-N	1	0	236.403	4.017	10	30		BIEERO
CCCC[C@H](CC)C[S@+](CC)C[C@H](C)C#N	ZINC000263584155	344483987	/nfs/dbraw/zinc/48/39/87/344483987.db2.gz	LHOMQRZZXSIPDI-IJEWVQPXSA-N	1	0	242.452	4.001	10	30		BIEERO
CCCC[C@H](CC)C[S@@+](CC)C[C@H](C)C#N	ZINC000263584156	344483911	/nfs/dbraw/zinc/48/39/11/344483911.db2.gz	LHOMQRZZXSIPDI-YCPHGPKFSA-N	1	0	242.452	4.001	10	30		BIEERO
CCCCCCC[NH2+][C@H]1CCC[C@H]1CCF	ZINC000310026218	632695222	/nfs/dbraw/zinc/69/52/22/632695222.db2.gz	PKUKNQRXPMSXIC-KBPBESRZSA-N	1	0	229.383	4.075	10	30		BIEERO
CCCCCCC[NH2+][C@H]1CCC[C@@H]1CCF	ZINC000310026220	632695275	/nfs/dbraw/zinc/69/52/75/632695275.db2.gz	PKUKNQRXPMSXIC-KGLIPLIRSA-N	1	0	229.383	4.075	10	30		BIEERO
CCCCCCC[NH2+][C@@H]1CCC[C@H]1CCF	ZINC000310026221	632694612	/nfs/dbraw/zinc/69/46/12/632694612.db2.gz	PKUKNQRXPMSXIC-UONOGXRCSA-N	1	0	229.383	4.075	10	30		BIEERO
CCCCCCC[NH2+][C@@H]1CCC[C@@H]1CCF	ZINC000310026222	632694246	/nfs/dbraw/zinc/69/42/46/632694246.db2.gz	PKUKNQRXPMSXIC-ZIAGYGMSSA-N	1	0	229.383	4.075	10	30		BIEERO
CCC/[NH+]=C/c1ccc(Oc2ccccc2)cc1	ZINC000584621139	358288574	/nfs/dbraw/zinc/28/85/74/358288574.db2.gz	BROYEXKRDFWTGG-GHRIWEEISA-N	1	0	239.318	4.308	10	30		BIEERO
CC(=C=[NH+][Si](C)(C)C(C)(C)C)C(C)C	ZINC000584659524	387505756	/nfs/dbraw/zinc/50/57/56/387505756.db2.gz	QBGDOJVKSWUAED-UHFFFAOYSA-N	1	0	211.425	4.264	10	30		BIEERO
CCCCCCCC[NH2+][C@@H]1CCCC[C@H]1F	ZINC000616581114	349261865	/nfs/dbraw/zinc/26/18/65/349261865.db2.gz	FUMOUGYBKFAONX-ZIAGYGMSSA-N	1	0	229.383	4.217	10	30		BIEERO
CCCCCCCC[NH2+]CC1(F)CCCC1	ZINC000616581353	349263371	/nfs/dbraw/zinc/26/33/71/349263371.db2.gz	ODSXFJQSWUKRAJ-UHFFFAOYSA-N	1	0	229.383	4.219	10	30		BIEERO
CCCCCCC[C@H]1[NH2+]CCc2ccsc21	ZINC000712574389	537789986	/nfs/dbraw/zinc/78/99/86/537789986.db2.gz	FOUFQOHRTFTCKE-CYBMUJFWSA-N	1	0	237.412	4.295	10	30		BIEERO
CCCCCCC[C@@H]1[NH2+]CCc2ccsc21	ZINC000712574391	537789044	/nfs/dbraw/zinc/78/90/44/537789044.db2.gz	FOUFQOHRTFTCKE-ZDUSSCGKSA-N	1	0	237.412	4.295	10	30		BIEERO