smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([C@@H]2[NH2+][C@H](c3ccc(C)cc3)[C@@H](C)C(=NO)[C@@H]2C)cc1	ZINC000004185809	181083388	/nfs/dbraw/zinc/08/33/88/181083388.db2.gz	WRAFTAVDGKMKAB-SNHGZMDHSA-N	1	0	322.452	4.791	50	30		DJEARO
N#Cc1ccc(C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)cc1	ZINC000040002640	183027209	/nfs/dbraw/zinc/02/72/09/183027209.db2.gz	SQUZNSNKYFVLEN-LJQANCHMSA-N	1	0	322.408	4.638	50	30		DJEARO
CC[N@H+](Cc1cccc2cccnc21)[C@@H](C)c1ccc(C#N)cc1	ZINC000042741872	183304387	/nfs/dbraw/zinc/30/43/87/183304387.db2.gz	HEBYVJJHDXLFFY-INIZCTEOSA-N	1	0	315.420	4.690	50	30		DJEARO
Cc1ccsc1C[N@H+](Cc1cn2ccccc2c1C#N)C(C)C	ZINC000058415796	184115257	/nfs/dbraw/zinc/11/52/57/184115257.db2.gz	XREBTIUYPHRWEE-UHFFFAOYSA-N	1	0	323.465	4.592	50	30		DJEARO
[NH2+]=C(NCc1ccccc1)[C@@H](Cc1ccccc1)c1ccccc1	ZINC000002075146	563299502	/nfs/dbraw/zinc/29/95/02/563299502.db2.gz	WVTDTGSLTOZALN-NRFANRHFSA-N	1	0	314.432	4.570	50	30		DJEARO
C=CC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H]1CC	ZINC000013633514	563467318	/nfs/dbraw/zinc/46/73/18/563467318.db2.gz	CSTHTSWEEQLRRV-LRSLUSHPSA-N	1	0	321.464	4.796	50	30		DJEARO
Brc1ccc(/C=[NH+]\C2C3CC4CC(C3)CC2C4)cc1	ZINC000000247097	563581535	/nfs/dbraw/zinc/58/15/35/563581535.db2.gz	NYVFMAXEXMZJCG-GRSHGNNSSA-N	1	0	318.258	4.693	50	30		DJEARO
CCC[C@@H]1/C(=N\O)[C@H](C)[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000226876952	563770248	/nfs/dbraw/zinc/77/02/48/563770248.db2.gz	IHJZCTUBTNCCLJ-DZSQXTKOSA-N	1	0	322.452	4.955	50	30		DJEARO
N#Cc1cccc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c1	ZINC000053098411	563821303	/nfs/dbraw/zinc/82/13/03/563821303.db2.gz	JPZRUBTWLMYHOE-QFIPXVFZSA-N	1	0	312.416	4.632	50	30		DJEARO
CC[NH+](CC)CC#CCC1(C)c2ccccc2-c2ccccc21	ZINC000001902838	563841777	/nfs/dbraw/zinc/84/17/77/563841777.db2.gz	IQAPMTHUQVWBKL-UHFFFAOYSA-N	1	0	303.449	4.708	50	30		DJEARO
CCCCCCCCCCCC[C@@H](C(=O)OC)[N+](C)(C)C	ZINC000100690091	563847879	/nfs/dbraw/zinc/84/78/79/563847879.db2.gz	HGKGBWDZLVDDMQ-KRWDZBQOSA-N	1	0	300.507	4.545	50	30		DJEARO
C(#Cc1ccccc1)C[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000022200063	182312835	/nfs/dbraw/zinc/31/28/35/182312835.db2.gz	JTMFMEGQHWWIHS-UHFFFAOYSA-N	1	0	311.428	4.741	50	30		DJEARO
CC[N@H+](Cc1cccc2cccnc21)[C@H](C)c1ccc(C#N)cc1	ZINC000042741875	183304411	/nfs/dbraw/zinc/30/44/11/183304411.db2.gz	HEBYVJJHDXLFFY-MRXNPFEDSA-N	1	0	315.420	4.690	50	30		DJEARO
C=CCc1cc(Cl)ccc1OCCC[N@H+]1CCC[C@H](C)C1	ZINC000002825140	519131707	/nfs/dbraw/zinc/13/17/07/519131707.db2.gz	TXVXBXYDGODDEU-HNNXBMFYSA-N	1	0	307.865	4.569	50	30		DJEARO
Cc1ccc(CNC(Nc2ccccc2)=[NH+]C2CCCCC2)cc1	ZINC000018082248	524225633	/nfs/dbraw/zinc/22/56/33/524225633.db2.gz	WPAHFWSYRLCFQZ-UHFFFAOYSA-N	1	0	321.468	4.885	50	30		DJEARO
CCCCCc1ccc(C(=O)C[n+]2cccc3ccccc32)cc1	ZINC000001779568	563295527	/nfs/dbraw/zinc/29/55/27/563295527.db2.gz	RQLSHHNPRDRSNN-UHFFFAOYSA-N	1	0	318.440	4.743	50	30		DJEARO
C[NH+](C)CCC[C@H]1c2ccccc2Sc2ccccc2[C@@H]1C#N	ZINC000002021211	563297763	/nfs/dbraw/zinc/29/77/63/563297763.db2.gz	AIYQDMJWCMVRAQ-MAUKXSAKSA-N	1	0	322.477	4.884	50	30		DJEARO
C/C(=[NH+]\N(c1ccccc1)c1ccccc1)c1ccc(N)cc1	ZINC000013142357	563379540	/nfs/dbraw/zinc/37/95/40/563379540.db2.gz	ZRESMWATKVYNQA-CJLVFECKSA-N	1	0	301.393	4.831	50	30		DJEARO
O=C1c2ccccc2[C@H]([NH2+]C2CCCCC2)/C1=C\c1ccccc1	ZINC000031947447	563441375	/nfs/dbraw/zinc/44/13/75/563441375.db2.gz	XJDKPLZUXCIMIS-MEPUESOJSA-N	1	0	317.432	4.930	50	30	in-vitro	DJEARO
CC[C@H]1C(=NO)[C@@H](CC)[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000036386799	563455358	/nfs/dbraw/zinc/45/53/58/563455358.db2.gz	CKEIFXSNZGOKPW-FGYAAKKASA-N	1	0	322.452	4.955	50	30		DJEARO
CC(C)[C@@H]1/C(=N\O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000105392490	563565316	/nfs/dbraw/zinc/56/53/16/563565316.db2.gz	XLYIKINYBVURBX-NPUPTDKCSA-N	1	0	308.425	4.565	50	30		DJEARO
N#Cc1cccc(C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)c1	ZINC000095373515	563931211	/nfs/dbraw/zinc/93/12/11/563931211.db2.gz	VSOQCOJKVKGNSJ-NRFANRHFSA-N	1	0	302.421	4.600	50	30		DJEARO
CC[NH+](CC)CCC[C@](C#N)(c1ccccc1Cl)C(C)C	ZINC000002529365	180932504	/nfs/dbraw/zinc/93/25/04/180932504.db2.gz	ZQKAOJLAGPHAES-GOSISDBHSA-N	1	0	306.881	4.879	50	30		DJEARO
C[C@@H](/[NH+]=C/c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2	ZINC000004154693	181079211	/nfs/dbraw/zinc/07/92/11/181079211.db2.gz	NRLHTUREWHBFOH-IASSVUMPSA-N	1	0	312.413	4.619	50	30		DJEARO
CC(C)[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000004936369	181174949	/nfs/dbraw/zinc/17/49/49/181174949.db2.gz	XLYIKINYBVURBX-OODXXXIZSA-N	1	0	308.425	4.565	50	30		DJEARO
C=C(C)C[C@H]1[NH2+][C@H]2CC(C)(C)[C@@H]1c1c(Br)cccc12	ZINC000019691572	182137347	/nfs/dbraw/zinc/13/73/47/182137347.db2.gz	PNQKGQJZPWPRDM-YCPHGPKFSA-N	1	0	320.274	4.942	50	30		DJEARO
C[C@H](/[NH+]=C/c1ccc(N(C)C)cc1)C12CC3CC(CC(C3)C1)C2	ZINC000003897118	257137248	/nfs/dbraw/zinc/13/72/48/257137248.db2.gz	JLJPJDUKAFBQKF-WDCFVCMMSA-N	1	0	310.485	4.776	50	30		DJEARO
C[NH+](C)CCC[C@H]1c2ccccc2Sc2ccccc2[C@H]1C#N	ZINC000002021210	340424500	/nfs/dbraw/zinc/42/45/00/340424500.db2.gz	AIYQDMJWCMVRAQ-YJBOKZPZSA-N	1	0	322.477	4.884	50	30		DJEARO
C=CCc1cccc(C)c1OCCCC[N@H+]1CCC[C@@H](C)C1	ZINC000002822972	519141831	/nfs/dbraw/zinc/14/18/31/519141831.db2.gz	RYRZTCFJGJRRLE-QGZVFWFLSA-N	1	0	301.474	4.614	50	30		DJEARO
CC[C@H]1C(=NO)[C@@H](CC)[C@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000013371149	563381271	/nfs/dbraw/zinc/38/12/71/563381271.db2.gz	CKEIFXSNZGOKPW-YRPNKDGESA-N	1	0	322.452	4.955	50	30		DJEARO
C=CC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@H]1CC	ZINC000013633511	563467477	/nfs/dbraw/zinc/46/74/77/563467477.db2.gz	CSTHTSWEEQLRRV-CZYKHXBRSA-N	1	0	321.464	4.796	50	30		DJEARO
CCCCCCCCC[C@@H](C)N(CC)C(=O)C[NH+](CC)CC	ZINC000101014512	563555667	/nfs/dbraw/zinc/55/56/67/563555667.db2.gz	ZVBMJJRMMWZYQU-GOSISDBHSA-N	1	0	312.542	4.706	50	30		DJEARO
C[N+]1(CC#CCC(c2ccccc2)c2ccccc2)CCCCC1	ZINC000001833155	563841988	/nfs/dbraw/zinc/84/19/88/563841988.db2.gz	IDMQVKLQFOFUAL-UHFFFAOYSA-N	1	0	318.484	4.843	50	30		DJEARO
C(#CC[NH+]1CCCCC1)CC(c1ccccc1)c1ccccc1	ZINC000001821424	563882149	/nfs/dbraw/zinc/88/21/49/563882149.db2.gz	GRHWJCIDSYLNPJ-UHFFFAOYSA-N	1	0	303.449	4.698	50	30		DJEARO
CC[NH+](CC)CC#CC[C@H](c1ccccc1)c1ccc(C)cc1	ZINC000096194469	563935981	/nfs/dbraw/zinc/93/59/81/563935981.db2.gz	GSQRBBYUUXPBBU-JOCHJYFZSA-N	1	0	305.465	4.862	50	30		DJEARO
CCN(CC)P(=N[N+]#N)(N(C)c1ccccc1)N(CC)CC	ZINC000004557262	181124490	/nfs/dbraw/zinc/12/44/90/181124490.db2.gz	FGZUPOYZZHQSEZ-UHFFFAOYSA-N	1	0	323.405	4.794	50	30		DJEARO
C=C(C)[C@H]1CC=C(C[NH+]2CCN(c3cc(C)ccc3C)CC2)CC1	ZINC000004980554	181183923	/nfs/dbraw/zinc/18/39/23/181183923.db2.gz	RVJIICXZNLNWOP-NRFANRHFSA-N	1	0	324.512	4.728	50	30		DJEARO
CC[NH+]1CCC(N=Nc2c(Cl)cc(Cl)cc2Cl)CC1	ZINC000005417597	181241431	/nfs/dbraw/zinc/24/14/31/181241431.db2.gz	GVTYCUAIHXMTKU-UHFFFAOYSA-N	1	0	320.651	4.530	50	30		DJEARO
CC[NH+](CC)CC#CC[C@H](c1ccccc1)c1ccccc1C	ZINC000006432575	181340621	/nfs/dbraw/zinc/34/06/21/181340621.db2.gz	OIZMOPVZTUGFFV-JOCHJYFZSA-N	1	0	305.465	4.862	50	30		DJEARO
C=CC[NH+](CC=C)CCOc1c(Cl)cc(Cl)cc1Cl	ZINC000020272361	182202630	/nfs/dbraw/zinc/20/26/30/182202630.db2.gz	STUDRKNQIVYAFD-UHFFFAOYSA-N	1	0	320.647	4.700	50	30		DJEARO
C=CC[NH+](CC=C)CCOc1ccc(Cl)c2ccccc12	ZINC000020272263	518768848	/nfs/dbraw/zinc/76/88/48/518768848.db2.gz	IRMFEAHKOSTALE-UHFFFAOYSA-N	1	0	301.817	4.546	50	30		DJEARO
C=CCc1cc(Cl)ccc1OCCC[N@H+]1CCC[C@@H](C)C1	ZINC000002825141	519131517	/nfs/dbraw/zinc/13/15/17/519131517.db2.gz	TXVXBXYDGODDEU-OAHLLOKOSA-N	1	0	307.865	4.569	50	30		DJEARO
O=C(C[n+]1ccc2ccccc2c1)c1ccc(-c2ccccc2)cc1	ZINC000001768369	563295212	/nfs/dbraw/zinc/29/52/12/563295212.db2.gz	ABCJCTVERFCFCP-UHFFFAOYSA-N	1	0	324.403	4.677	50	30		DJEARO
O=C1c2ccccc2[C@H]([NH2+]C2CCCCC2)/C1=C/c1ccccc1	ZINC000031947445	563441493	/nfs/dbraw/zinc/44/14/93/563441493.db2.gz	XJDKPLZUXCIMIS-LDVBQKTRSA-N	1	0	317.432	4.930	50	30	in-vitro	DJEARO
Cc1ccc([C@@H]2[NH2+][C@H](c3ccc(C)cc3)[C@@H](C)C(=NO)[C@H]2C)cc1	ZINC000103229206	563666333	/nfs/dbraw/zinc/66/63/33/563666333.db2.gz	WRAFTAVDGKMKAB-LPTDTENNSA-N	1	0	322.452	4.791	50	30		DJEARO
C[C@@H](/[NH+]=C/c1ccc(N(C)C)cc1)C12CC3CC(CC(C3)C1)C2	ZINC000107631879	563684371	/nfs/dbraw/zinc/68/43/71/563684371.db2.gz	JLJPJDUKAFBQKF-WNEYKLMXSA-N	1	0	310.485	4.776	50	30		DJEARO
C[C@@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1	ZINC000012857677	563845497	/nfs/dbraw/zinc/84/54/97/563845497.db2.gz	QIILCQMNALMCCF-LJQANCHMSA-N	1	0	318.464	4.618	50	30		DJEARO
C[NH+]=C(Nc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1	ZINC000004039904	181065593	/nfs/dbraw/zinc/06/55/93/181065593.db2.gz	XUIYQAOICIHZKP-UHFFFAOYSA-N	1	0	312.722	4.847	50	30		DJEARO
CC[N+](CC)(CC(=O)c1ccc(Cl)cc1)Cc1ccccc1	ZINC000004349190	181100951	/nfs/dbraw/zinc/10/09/51/181100951.db2.gz	MBTNCHZSWIVUSV-UHFFFAOYSA-N	1	0	316.852	4.580	50	30		DJEARO
C=C(C)C[C@H]1[NH2+][C@@H](CC(=C)C)Cc2c(Br)cccc21	ZINC000021486989	182275364	/nfs/dbraw/zinc/27/53/64/182275364.db2.gz	GAPYTIFLTNNPAB-SUMWQHHRSA-N	1	0	320.274	4.937	50	30		DJEARO
C=CC[n+]1ccccc1C=CC=C1N(C)c2ccccc2C1(C)C	ZINC000049604843	183747537	/nfs/dbraw/zinc/74/75/37/183747537.db2.gz	HJROMHCZAUCNIC-UHFFFAOYSA-N	1	0	317.456	4.704	50	30		DJEARO
CC[NH+](CC)[C@H](C(=O)NC1CCCCC1)c1ccc(C)cc1	ZINC000058012638	184066521	/nfs/dbraw/zinc/06/65/21/184066521.db2.gz	KKHXPSCMSLMWAT-SFHVURJKSA-N	1	0	302.462	4.667	50	30		DJEARO
C=CCOc1c(Cl)cc(C[NH2+]C2CCCC2)cc1Cl	ZINC000002863700	563723090	/nfs/dbraw/zinc/72/30/90/563723090.db2.gz	FSIXBLTUTMNEJN-UHFFFAOYSA-N	1	0	300.229	4.590	50	30		DJEARO
CCC[C@@H]1/C(=N\O)[C@H](C)[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000229898612	563773273	/nfs/dbraw/zinc/77/32/73/563773273.db2.gz	IHJZCTUBTNCCLJ-HXBHQWNLSA-N	1	0	322.452	4.955	50	30		DJEARO
C=CC[C@@H]1CC=C[C@@H](C)[N@H+]1Cc1nc(-c2ccc(C)o2)oc1C	ZINC000011839318	563838085	/nfs/dbraw/zinc/83/80/85/563838085.db2.gz	GDKJJUIYOHPGQQ-CZUORRHYSA-N	1	0	312.413	4.647	50	30		DJEARO
C[C@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1	ZINC000012857686	563845449	/nfs/dbraw/zinc/84/54/49/563845449.db2.gz	QIILCQMNALMCCF-IBGZPJMESA-N	1	0	318.464	4.618	50	30		DJEARO
CCCCCCCCCCCC[N+](C)(C)CCCC(=O)OC	ZINC000100684568	563847998	/nfs/dbraw/zinc/84/79/98/563847998.db2.gz	QPRRMVZSBITXFM-UHFFFAOYSA-N	1	0	314.534	4.937	50	30		DJEARO
CC[NH+](CC)CC#CCC(C)(c1ccccc1)c1ccccc1	ZINC000002270285	563920999	/nfs/dbraw/zinc/92/09/99/563920999.db2.gz	SMEHUBTZJNZVHX-UHFFFAOYSA-N	1	0	305.465	4.728	50	30		DJEARO
Cc1cc(C)c[n+]([C@@H](C)C(=O)c2ccc(-c3ccccc3)cc2)c1	ZINC000001955946	180904109	/nfs/dbraw/zinc/90/41/09/180904109.db2.gz	UGJLKJABSKXYGH-SFHVURJKSA-N	1	0	316.424	4.702	50	30		DJEARO
C=C(C)C[n+]1cc(-c2ccc3ccccc3n2)cc2ccccc21	ZINC000004081987	181070507	/nfs/dbraw/zinc/07/05/07/181070507.db2.gz	VALAOKJKJCBHRS-UHFFFAOYSA-N	1	0	311.408	4.919	50	30		DJEARO
CCC[C@@H]1/C(=N/O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000004375756	181104359	/nfs/dbraw/zinc/10/43/59/181104359.db2.gz	UWBQKEUMMHOFLM-IHQWEUMBSA-N	1	0	308.425	4.709	50	30		DJEARO
CC(C)[C@@](C#N)(CCC[NH+]1CCCC1)c1ccccc1Cl	ZINC000005498438	181250020	/nfs/dbraw/zinc/25/00/20/181250020.db2.gz	SIJSUSIXNFIBQT-SFHVURJKSA-N	1	0	304.865	4.633	50	30		DJEARO
CC[NH+](CC)CCC[C@@](C#N)(c1ccccc1Cl)C(C)C	ZINC000006462752	181342530	/nfs/dbraw/zinc/34/25/30/181342530.db2.gz	ZQKAOJLAGPHAES-SFHVURJKSA-N	1	0	306.881	4.879	50	30		DJEARO
CC[NH+](CC)CC#CC[C@@H](c1ccccc1)c1ccc(C)cc1	ZINC000096194468	193571896	/nfs/dbraw/zinc/57/18/96/193571896.db2.gz	GSQRBBYUUXPBBU-QFIPXVFZSA-N	1	0	305.465	4.862	50	30		DJEARO
C#CC[N@H+](C)CC/C=C1\c2ccccc2CSc2ccccc21	ZINC000019802454	182152009	/nfs/dbraw/zinc/15/20/09/182152009.db2.gz	WWRPLVWTWTUOKJ-XDHOZWIPSA-N	1	0	319.473	4.679	50	30		DJEARO
C(#CC[NH+]1CCCCC1)C=C(c1ccccc1)c1ccccc1	ZINC000020792659	182247435	/nfs/dbraw/zinc/24/74/35/182247435.db2.gz	UWIQUOBJCCWXOD-UHFFFAOYSA-N	1	0	301.433	4.608	50	30		DJEARO
CCCCCCCCCCCC[C@H](C(=O)OC)[N+](C)(C)C	ZINC000100690088	256564889	/nfs/dbraw/zinc/56/48/89/256564889.db2.gz	HGKGBWDZLVDDMQ-QGZVFWFLSA-N	1	0	300.507	4.545	50	30		DJEARO
C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)cc1Cl	ZINC000011040471	257254002	/nfs/dbraw/zinc/25/40/02/257254002.db2.gz	HQTMYCQWOCMJHJ-NSHDSACASA-N	1	0	305.208	4.716	50	30		DJEARO
C=CCOc1ccccc1C[NH+]1CCC(Cc2ccccc2)CC1	ZINC000002464008	257262378	/nfs/dbraw/zinc/26/23/78/257262378.db2.gz	UOUCABRMBCXRKU-UHFFFAOYSA-N	1	0	321.464	4.706	50	30		DJEARO
C=CCc1cc(Cl)ccc1OCCCC[N@H+]1CCC[C@@H](C)C1	ZINC000002823346	519132285	/nfs/dbraw/zinc/13/22/85/519132285.db2.gz	NTYJHIIDXRXLPH-MRXNPFEDSA-N	1	0	321.892	4.959	50	30		DJEARO
CCCCCCCCCOc1ccc2[nH]cc(CC[NH3+])c2c1	ZINC000001541570	563284868	/nfs/dbraw/zinc/28/48/68/563284868.db2.gz	YHSMSRREJYOGQJ-UHFFFAOYSA-N	1	0	302.462	4.799	50	30	investigational	DJEARO
C[N@H+](Cc1ccsc1)Cc1ccc(-c2ccccc2C#N)cc1	ZINC000032899548	563410338	/nfs/dbraw/zinc/41/03/38/563410338.db2.gz	VRYCFBPORFMQHV-UHFFFAOYSA-N	1	0	318.445	4.919	50	30		DJEARO
C[N@H+](Cc1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1	ZINC000015292698	563803694	/nfs/dbraw/zinc/80/36/94/563803694.db2.gz	BLOJHKUFUAFFRL-UHFFFAOYSA-N	1	0	312.416	4.780	50	30		DJEARO
CC(C)[C@@H]1C(=NO)C[C@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000252636739	563920265	/nfs/dbraw/zinc/92/02/65/563920265.db2.gz	XLYIKINYBVURBX-RLLQIKCJSA-N	1	0	308.425	4.565	50	30		DJEARO
Brc1ccc(NC2=[NH+]c3ccccc3SC2)cc1	ZINC000017200682	182080097	/nfs/dbraw/zinc/08/00/97/182080097.db2.gz	HKLOWWYQKAHRSF-UHFFFAOYSA-N	1	0	319.227	4.697	50	30		DJEARO
C=C(C)C[C@@H]1Cc2c(Br)cccc2[C@H](CC(=C)C)[NH2+]1	ZINC000021486990	182275064	/nfs/dbraw/zinc/27/50/64/182275064.db2.gz	GAPYTIFLTNNPAB-DYVFJYSZSA-N	1	0	320.274	4.937	50	30		DJEARO
C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1	ZINC000011038782	257254010	/nfs/dbraw/zinc/25/40/10/257254010.db2.gz	YFGQPLICGCMOLC-LLVKDONJSA-N	1	0	305.208	4.716	50	30		DJEARO
C#CC[C@@H]([NH2+]Cc1ccc2cc(OC)ccc2c1)c1ccccc1	ZINC000089467155	257260919	/nfs/dbraw/zinc/26/09/19/257260919.db2.gz	QNXZGGKOQCCADP-JOCHJYFZSA-N	1	0	315.416	4.703	50	30		DJEARO
C#CC[C@H]([NH2+]Cc1ccc2cc(OC)ccc2c1)c1ccccc1	ZINC000089467154	257261037	/nfs/dbraw/zinc/26/10/37/257261037.db2.gz	QNXZGGKOQCCADP-QFIPXVFZSA-N	1	0	315.416	4.703	50	30		DJEARO
CCOc1ccc2c(c1)-c1c(ss/c1=[S+]\C)C(C)(C)N2	ZINC000003880298	521286111	/nfs/dbraw/zinc/28/61/11/521286111.db2.gz	GOBRXKYBVJSEMS-UHFFFAOYSA-N	1	0	324.516	4.780	50	30		DJEARO
C=CC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H]1CC	ZINC000013633508	563467146	/nfs/dbraw/zinc/46/71/46/563467146.db2.gz	CSTHTSWEEQLRRV-YSFYHYPLSA-N	1	0	321.464	4.796	50	30		DJEARO
CCC[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000100398705	563550504	/nfs/dbraw/zinc/55/05/04/563550504.db2.gz	UWBQKEUMMHOFLM-KELKKWJBSA-N	1	0	308.425	4.709	50	30		DJEARO
CCCCCCCCCC[C@H]([NH3+])C(=O)c1ccc(OC)cc1	ZINC000104144236	563562429	/nfs/dbraw/zinc/56/24/29/563562429.db2.gz	MJIKXQHHYCEVPJ-SFHVURJKSA-N	1	0	305.462	4.736	50	30		DJEARO
N#Cc1ccccc1-c1ccc(C[n+]2ccc3ccccc3c2)cc1	ZINC000074181504	563616431	/nfs/dbraw/zinc/61/64/31/563616431.db2.gz	AUJHVLGJRQUOPL-UHFFFAOYSA-N	1	0	321.403	4.714	50	30		DJEARO
C[NH+](C)CC/C=C1\c2ccccc2CSc2ccc(C#N)cc21	ZINC000000005810	563926377	/nfs/dbraw/zinc/92/63/77/563926377.db2.gz	FSIRGTNPQFDCCD-QGMBQPNBSA-N	1	0	320.461	4.547	50	30		DJEARO
N#Cc1cccc(C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)c1	ZINC000095373516	563931186	/nfs/dbraw/zinc/93/11/86/563931186.db2.gz	VSOQCOJKVKGNSJ-OAQYLSRUSA-N	1	0	302.421	4.600	50	30		DJEARO
CC[NH+](CC)[C@H](C)C#CCC(c1ccccc1)c1ccccc1	ZINC000002268300	180917154	/nfs/dbraw/zinc/91/71/54/180917154.db2.gz	DPQYEELCNOCHPD-LJQANCHMSA-N	1	0	305.465	4.942	50	30		DJEARO
CN(C)c1ccc(/C=[NH+]/CC23CC4C[C@H](C2)CC[C@@H](C4)C3)cc1	ZINC000017299366	182081614	/nfs/dbraw/zinc/08/16/14/182081614.db2.gz	XHDFNMUXFMUHLW-FSJNUTQQSA-N	1	0	310.485	4.778	50	30		DJEARO
C=C(C)C[C@@H]1Cc2c(Br)cccc2[C@@H](CC(=C)C)[NH2+]1	ZINC000020161375	182193962	/nfs/dbraw/zinc/19/39/62/182193962.db2.gz	GAPYTIFLTNNPAB-CXAGYDPISA-N	1	0	320.274	4.937	50	30		DJEARO
C[NH+](C)CC/C=C1/c2ccccc2CSc2ccc(C#N)cc21	ZINC000075348836	257121186	/nfs/dbraw/zinc/12/11/86/257121186.db2.gz	FSIRGTNPQFDCCD-LSCVHKIXSA-N	1	0	320.461	4.547	50	30		DJEARO
C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccccn2)cc1CC=C	ZINC000055575370	519034293	/nfs/dbraw/zinc/03/42/93/519034293.db2.gz	FISZJZUVLQLOIT-QGZVFWFLSA-N	1	0	322.452	4.568	50	30		DJEARO
CC(C)[C@@H]1/C(=N/O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000013119936	563378186	/nfs/dbraw/zinc/37/81/86/563378186.db2.gz	XLYIKINYBVURBX-BRCNXJTOSA-N	1	0	308.425	4.565	50	30		DJEARO
Cc1ccc([C@@H]2[NH2+][C@H](c3ccc(C)cc3)[C@H](C)C(=NO)[C@H]2C)cc1	ZINC000103229203	563666192	/nfs/dbraw/zinc/66/61/92/563666192.db2.gz	WRAFTAVDGKMKAB-NBJYBMASSA-N	1	0	322.452	4.791	50	30		DJEARO
C#CC[N@@H+](Cc1nc(-c2ccccc2C)oc1C)C1CCCCC1	ZINC000014965749	563839419	/nfs/dbraw/zinc/83/94/19/563839419.db2.gz	NIWYRCXSEPVCLK-UHFFFAOYSA-N	1	0	322.452	4.726	50	30		DJEARO
CC[NH+](CC)CC#CC[C@H](c1ccccc1)c1ccc(OC)cc1	ZINC000001757004	563842053	/nfs/dbraw/zinc/84/20/53/563842053.db2.gz	XIVXEWUSMHSSDA-JOCHJYFZSA-N	1	0	321.464	4.562	50	30		DJEARO
CCCCCCCCCCCC[N+](C)(C)CC(=O)OCC	ZINC000084756674	563912599	/nfs/dbraw/zinc/91/25/99/563912599.db2.gz	INBPRSAQDFIGRJ-UHFFFAOYSA-N	1	0	300.507	4.547	50	30	in-man	DJEARO
C[C@H](/[NH+]=C/c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2	ZINC000004154692	181079214	/nfs/dbraw/zinc/07/92/14/181079214.db2.gz	NRLHTUREWHBFOH-CLOZSRMNSA-N	1	0	312.413	4.619	50	30		DJEARO
CCC[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000004375754	181104539	/nfs/dbraw/zinc/10/45/39/181104539.db2.gz	UWBQKEUMMHOFLM-VRHIUBJVSA-N	1	0	308.425	4.709	50	30		DJEARO
CCC[C@@H]1/C(=N/O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000015924323	182024709	/nfs/dbraw/zinc/02/47/09/182024709.db2.gz	UWBQKEUMMHOFLM-FCJYPPFASA-N	1	0	308.425	4.709	50	30		DJEARO
C=C(C)C[C@@H]1[NH2+][C@H]2CC(C)(C)[C@@H]1c1c(Br)cccc12	ZINC000019691570	182137545	/nfs/dbraw/zinc/13/75/45/182137545.db2.gz	PNQKGQJZPWPRDM-DZKIICNBSA-N	1	0	320.274	4.942	50	30		DJEARO
CC[NH+](CC)CC#CC[C@@H](c1ccccc1)c1ccc(OC)cc1	ZINC000001757003	257262531	/nfs/dbraw/zinc/26/25/31/257262531.db2.gz	XIVXEWUSMHSSDA-QFIPXVFZSA-N	1	0	321.464	4.562	50	30		DJEARO
C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccccn2)cc1CC=C	ZINC000055575369	519033087	/nfs/dbraw/zinc/03/30/87/519033087.db2.gz	FISZJZUVLQLOIT-KRWDZBQOSA-N	1	0	322.452	4.568	50	30		DJEARO
C=CCc1cc(Cl)ccc1OCCCC[N@H+]1CCC[C@H](C)C1	ZINC000002823345	519131645	/nfs/dbraw/zinc/13/16/45/519131645.db2.gz	NTYJHIIDXRXLPH-INIZCTEOSA-N	1	0	321.892	4.959	50	30		DJEARO
N#Cc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)c(Cl)c1	ZINC000000269294	563583362	/nfs/dbraw/zinc/58/33/62/563583362.db2.gz	AZZALBCBKUYWLE-UHFFFAOYSA-N	1	0	324.855	4.666	50	30		DJEARO
C=CC[N@H+](CCc1ccccc1)Cc1nc2ccccc2s1	ZINC000060168336	563819973	/nfs/dbraw/zinc/81/99/73/563819973.db2.gz	JQBZDHCSXOXXAQ-UHFFFAOYSA-N	1	0	308.450	4.527	50	30		DJEARO
C=CCC1(CC=C)CCCC[N@@H+]1Cc1nc(-c2ccccc2)no1	ZINC000012763072	563838792	/nfs/dbraw/zinc/83/87/92/563838792.db2.gz	OKZSUTYTMUMSMX-UHFFFAOYSA-N	1	0	323.440	4.614	50	30		DJEARO
CC[NH+](CC)[C@@H](C)C#CCC(c1ccccc1)c1ccccc1	ZINC000002268299	563842603	/nfs/dbraw/zinc/84/26/03/563842603.db2.gz	DPQYEELCNOCHPD-IBGZPJMESA-N	1	0	305.465	4.942	50	30		DJEARO
C[NH+]=C(Nc1cccc(C(F)(F)F)c1)c1cc(C)cc(C)c1	ZINC000013285694	563929223	/nfs/dbraw/zinc/92/92/23/563929223.db2.gz	ZAYTYRGLUZPFRU-UHFFFAOYSA-N	1	0	306.331	4.620	50	30		DJEARO
Cc1ccc(/C=[NH+]/CCc2csc(-c3ccccc3)n2)cc1	ZINC000082238075	185174377	/nfs/dbraw/zinc/17/43/77/185174377.db2.gz	OHOVVRHTARQNAY-DEDYPNTBSA-N	1	0	306.434	4.780	50	30		DJEARO
N#Cc1ccc(C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)cc1	ZINC000040002641	183027337	/nfs/dbraw/zinc/02/73/37/183027337.db2.gz	SQUZNSNKYFVLEN-IBGZPJMESA-N	1	0	322.408	4.638	50	30		DJEARO
C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)cc1Cl	ZINC000011040474	257253996	/nfs/dbraw/zinc/25/39/96/257253996.db2.gz	HQTMYCQWOCMJHJ-LLVKDONJSA-N	1	0	305.208	4.716	50	30		DJEARO
Cc1cc(C)c[n+]([C@H](C)C(=O)c2ccc(-c3ccccc3)cc2)c1	ZINC000001955947	563297680	/nfs/dbraw/zinc/29/76/80/563297680.db2.gz	UGJLKJABSKXYGH-GOSISDBHSA-N	1	0	316.424	4.702	50	30		DJEARO
CCCCCCCCCn1c2c(c(=[NH2+])c3c1CCC3)CCC2	ZINC000002056004	563298872	/nfs/dbraw/zinc/29/88/72/563298872.db2.gz	YPKABIIMSHKAFS-UHFFFAOYSA-N	1	0	300.490	4.696	50	30		DJEARO
CCC[C@@H]1/C(=N/O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000100438676	563550473	/nfs/dbraw/zinc/55/04/73/563550473.db2.gz	UWBQKEUMMHOFLM-IZWBCIBGSA-N	1	0	308.425	4.709	50	30		DJEARO
CC(C)[C@@H]1/C(=N/O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000100433950	563550555	/nfs/dbraw/zinc/55/05/55/563550555.db2.gz	XLYIKINYBVURBX-RRSNMAMOSA-N	1	0	308.425	4.565	50	30		DJEARO
CCCCCCCCCC[C@@H]([NH3+])C(=O)c1ccc(OC)cc1	ZINC000104144239	563562489	/nfs/dbraw/zinc/56/24/89/563562489.db2.gz	MJIKXQHHYCEVPJ-GOSISDBHSA-N	1	0	305.462	4.736	50	30		DJEARO
C=CCc1cccc(Cl)c1OCCC[NH+]1CCCCCC1	ZINC000002839082	563723296	/nfs/dbraw/zinc/72/32/96/563723296.db2.gz	XDDDKYGRILFCMF-UHFFFAOYSA-N	1	0	307.865	4.713	50	30		DJEARO
CCCc1[nH+]c2c(c3[nH]c4ccccc4c31)/C(=N/O)CC(C)(C)C2	ZINC000012656580	563928830	/nfs/dbraw/zinc/92/88/30/563928830.db2.gz	XPHXXJUHOWBWMH-XQNSMLJCSA-N	1	0	321.424	4.819	50	30	biogenic	DJEARO
C[N+]1(CC(=O)OC2CCCCCCCCCCC2)CCCCC1	ZINC000004184733	181082509	/nfs/dbraw/zinc/08/25/09/181082509.db2.gz	BZRDYLMEVZJUJV-UHFFFAOYSA-N	1	0	324.529	4.833	50	30		DJEARO
C=CC[NH2+]CCCOc1ccc(C(C)(C)c2ccccc2)cc1	ZINC000003461097	257265789	/nfs/dbraw/zinc/26/57/89/257265789.db2.gz	JVFUNOJJRFQCJP-UHFFFAOYSA-N	1	0	309.453	4.557	50	30		DJEARO
C=CCc1cccc(C)c1OCCCC[N@H+]1CCC[C@H](C)C1	ZINC000002822974	519141251	/nfs/dbraw/zinc/14/12/51/519141251.db2.gz	RYRZTCFJGJRRLE-KRWDZBQOSA-N	1	0	301.474	4.614	50	30		DJEARO
c1ccc(N[NH+]=C(Nc2ccccc2)Nc2ccccc2)cc1	ZINC000004421241	526482256	/nfs/dbraw/zinc/48/22/56/526482256.db2.gz	IIKIDHJZPRTCEK-UHFFFAOYSA-N	1	0	302.381	4.594	50	30		DJEARO
CC(C)[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000100398690	563550609	/nfs/dbraw/zinc/55/06/09/563550609.db2.gz	XLYIKINYBVURBX-AFNNQJJSSA-N	1	0	308.425	4.565	50	30		DJEARO
C[C@@H](/[NH+]=C\c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2	ZINC000100092798	563555310	/nfs/dbraw/zinc/55/53/10/563555310.db2.gz	NRLHTUREWHBFOH-RFYGJZHMSA-N	1	0	312.413	4.619	50	30		DJEARO
CCCCCCCCCCCC[C@H](C(=O)OCC)[N+](C)(C)C	ZINC000100690021	563847801	/nfs/dbraw/zinc/84/78/01/563847801.db2.gz	JMFYTGVUDDMGME-GOSISDBHSA-N	1	0	314.534	4.935	50	30		DJEARO
COc1ccc([C@H]2CCCCC[N@@H+]2Cc2ccccc2C#N)cc1	ZINC000057620330	563942162	/nfs/dbraw/zinc/94/21/62/563942162.db2.gz	PBKIMWXEFMIOID-OAQYLSRUSA-N	1	0	320.436	4.684	50	30		DJEARO
CCCCCCCCCC[n+]1cccc(C(=O)N(CC)CC)c1	ZINC000008691081	563949709	/nfs/dbraw/zinc/94/97/09/563949709.db2.gz	ZHXBMGFDKVFXJN-UHFFFAOYSA-N	1	0	319.513	4.597	50	30		DJEARO
CC[NH+](CC)CC#CCN1c2ccccc2Sc2ccccc21	ZINC000002836083	257266194	/nfs/dbraw/zinc/26/61/94/257266194.db2.gz	XSEMONHSGKQGTJ-UHFFFAOYSA-N	1	0	322.477	4.635	50	30	biogenic	DJEARO
Brc1ccc(/C=[NH+]/C2C3CC4CC(C3)CC2C4)cc1	ZINC000100056095	563539647	/nfs/dbraw/zinc/53/96/47/563539647.db2.gz	NYVFMAXEXMZJCG-VXLYETTFSA-N	1	0	318.258	4.693	50	30		DJEARO
CCCCCCCCC[C@H](C)N(CC)C(=O)C[NH+](CC)CC	ZINC000101014508	563555828	/nfs/dbraw/zinc/55/58/28/563555828.db2.gz	ZVBMJJRMMWZYQU-SFHVURJKSA-N	1	0	312.542	4.706	50	30		DJEARO
CCC[C@@H]1/C(=N\O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000105392512	563565430	/nfs/dbraw/zinc/56/54/30/563565430.db2.gz	UWBQKEUMMHOFLM-WUWLZIQSSA-N	1	0	308.425	4.709	50	30		DJEARO
CC(C)[C@@H]1C(=NO)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000252636738	563920218	/nfs/dbraw/zinc/92/02/18/563920218.db2.gz	XLYIKINYBVURBX-MISYRCLQSA-N	1	0	308.425	4.565	50	30		DJEARO
CC(C)[C@@H]1C(=NO)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000004186685	563945591	/nfs/dbraw/zinc/94/55/91/563945591.db2.gz	XLYIKINYBVURBX-DFQSSKMNSA-N	1	0	308.425	4.565	50	30		DJEARO
CC(C)[C@](C#N)(CCC[NH+]1CCCC1)c1ccccc1Cl	ZINC000000408082	180778802	/nfs/dbraw/zinc/77/88/02/180778802.db2.gz	SIJSUSIXNFIBQT-GOSISDBHSA-N	1	0	304.865	4.633	50	30		DJEARO
O=[N+](Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000005016457	181190963	/nfs/dbraw/zinc/19/09/63/181190963.db2.gz	XNDONNGBMOHDAG-IUXPMGMMSA-N	1	0	300.572	4.908	50	30		DJEARO
C=CC[NH+](CC=C)CCOc1cccc(Oc2ccccc2)c1	ZINC000020293436	182203368	/nfs/dbraw/zinc/20/33/68/182203368.db2.gz	DKKHIPRRJVYCJS-UHFFFAOYSA-N	1	0	309.409	4.532	50	30		DJEARO
CCCCCCCCCCCCSC(=[NH2+])NCCOC	ZINC000100605268	256564282	/nfs/dbraw/zinc/56/42/82/256564282.db2.gz	BRCBUSXWABBUIU-UHFFFAOYSA-N	1	0	302.528	4.602	50	30		DJEARO
C[NH+](C)CCC[C@@H]1c2ccccc2Sc2ccccc2[C@H]1C#N	ZINC000005688837	256519797	/nfs/dbraw/zinc/51/97/97/256519797.db2.gz	AIYQDMJWCMVRAQ-QAPCUYQASA-N	1	0	322.477	4.884	50	30		DJEARO
C=CCC1(CC=C)CCCC[N@H+]1Cc1nc(CCC(C)C)no1	ZINC000012202593	257263259	/nfs/dbraw/zinc/26/32/59/257263259.db2.gz	LAZCNBUGSWIWNN-UHFFFAOYSA-N	1	0	317.477	4.535	50	30		DJEARO
C#CC[N@H+](C)CC/C=C1/c2ccccc2CSc2ccccc21	ZINC000001009362	340391995	/nfs/dbraw/zinc/39/19/95/340391995.db2.gz	WWRPLVWTWTUOKJ-UNOMPAQXSA-N	1	0	319.473	4.679	50	30		DJEARO
CCCCCCCCC(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000070669951	519973246	/nfs/dbraw/zinc/97/32/46/519973246.db2.gz	RPHGKFIOPZJSMT-ZWKOTPCHSA-N	1	0	309.494	4.545	50	30	biogenic	DJEARO
c1ccc(C[NH+]=C(Nc2ccccc2)Nc2ccccc2)cc1	ZINC000016346260	526468160	/nfs/dbraw/zinc/46/81/60/526468160.db2.gz	SSKYLJIYQNGXRG-UHFFFAOYSA-N	1	0	301.393	4.576	50	30		DJEARO
[NH2+]=C(NCc1ccco1)SCc1ccc(-c2ccccc2)cc1	ZINC000023324687	526804913	/nfs/dbraw/zinc/80/49/13/526804913.db2.gz	YXOBDQWUESKNKK-UHFFFAOYSA-N	1	0	322.433	4.695	50	30		DJEARO
CC[C@H]1C(=NO)[C@@H](CC)[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000013371143	563381488	/nfs/dbraw/zinc/38/14/88/563381488.db2.gz	CKEIFXSNZGOKPW-JVSBHGNQSA-N	1	0	322.452	4.955	50	30		DJEARO
CCCN(/C=[NH+]/c1sc2c(c1C#N)CCCCC2)CCC	ZINC000100795535	563454018	/nfs/dbraw/zinc/45/40/18/563454018.db2.gz	LOZVQUBWZGODMC-CPNJWEJPSA-N	1	0	303.475	4.670	50	30		DJEARO
CCCCCCCCCCOC(=O)C[N+](CC)(CC)CC	ZINC000100496166	563594642	/nfs/dbraw/zinc/59/46/42/563594642.db2.gz	YAWBMBJFONWVFE-UHFFFAOYSA-N	1	0	300.507	4.547	50	30		DJEARO
Cc1ccc([C@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc2)cc1	ZINC000025410062	563788002	/nfs/dbraw/zinc/78/80/02/563788002.db2.gz	APCOOVACWQNOEO-JOCHJYFZSA-N	1	0	312.416	4.746	50	30		DJEARO
C(=[NH+]/Cc1ccccc1)\c1ccc(OCc2ccccc2)cc1	ZINC000001228367	563802793	/nfs/dbraw/zinc/80/27/93/563802793.db2.gz	JLMBHPFCNXNUQQ-CJLVFECKSA-N	1	0	301.389	4.885	50	30		DJEARO
C=C(C)C#CC[N+](CC)(CC)CC#Cc1cccc2ccccc12	ZINC000001835167	563882036	/nfs/dbraw/zinc/88/20/36/563882036.db2.gz	SDCTURFPOBWVBI-UHFFFAOYSA-N	1	0	316.468	4.627	50	30		DJEARO
C[NH+](C)CCC[C@@H]1c2ccccc2Sc2ccccc2[C@@H]1C#N	ZINC000002021212	563889333	/nfs/dbraw/zinc/88/93/33/563889333.db2.gz	AIYQDMJWCMVRAQ-CRAIPNDOSA-N	1	0	322.477	4.884	50	30		DJEARO
CC(C)[C@@H]1C(=NO)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000004186678	563945614	/nfs/dbraw/zinc/94/56/14/563945614.db2.gz	XLYIKINYBVURBX-SXLOBPIMSA-N	1	0	308.425	4.565	50	30		DJEARO
Cc1ccc([C@@H]2[NH2+][C@H](c3ccc(C)cc3)[C@H](C)C(=NO)[C@@H]2C)cc1	ZINC000004185802	181083185	/nfs/dbraw/zinc/08/31/85/181083185.db2.gz	WRAFTAVDGKMKAB-IFCLKOLQSA-N	1	0	322.452	4.791	50	30		DJEARO
C=CC[n+]1c(/C=C/c2ccc(N(C)C)cc2)ccc2ccccc21	ZINC000004747297	181147701	/nfs/dbraw/zinc/14/77/01/181147701.db2.gz	HIWBWMCUORARDF-UHFFFAOYSA-N	1	0	315.440	4.550	50	30		DJEARO
Brc1ccc(NC2=[NH+]c3ccccc3CC2)cc1	ZINC000005572408	181258349	/nfs/dbraw/zinc/25/83/49/181258349.db2.gz	XOIQLBAJZANGKX-UHFFFAOYSA-N	1	0	301.187	4.537	50	30		DJEARO
[NH2+]=C(NCc1ccccc1)[C@H](Cc1ccccc1)c1ccccc1	ZINC000002075147	563299393	/nfs/dbraw/zinc/29/93/93/563299393.db2.gz	WVTDTGSLTOZALN-OAQYLSRUSA-N	1	0	314.432	4.570	50	30		DJEARO
O=C1c2ccccc2[C@@H]([NH2+]C2CCCCC2)/C1=C\c1ccccc1	ZINC000031947451	563441478	/nfs/dbraw/zinc/44/14/78/563441478.db2.gz	XJDKPLZUXCIMIS-LSSXRZCCSA-N	1	0	317.432	4.930	50	30	in-vitro	DJEARO
C=CCOc1ccccc1C[N@H+]1CC=C(c2ccc(F)cc2)CC1	ZINC000004986185	563450371	/nfs/dbraw/zinc/45/03/71/563450371.db2.gz	UCLUZWZGIDPAFK-UHFFFAOYSA-N	1	0	323.411	4.680	50	30		DJEARO
CC(C)[C@@H]1/C(=N/O)C[C@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000013468117	563773548	/nfs/dbraw/zinc/77/35/48/563773548.db2.gz	XLYIKINYBVURBX-WRPYGATHSA-N	1	0	308.425	4.565	50	30		DJEARO
C=CCn1c2ccccc2nc1NCc1cccc2ccccc21	ZINC000000612841	563841421	/nfs/dbraw/zinc/84/14/21/563841421.db2.gz	QQGDPOVSYBTEJB-UHFFFAOYSA-N	1	0	313.404	4.988	50	30		DJEARO
CC[NH+](CC)CC#CC[C@@H](c1ccccc1)c1ccccc1C	ZINC000006432570	181340666	/nfs/dbraw/zinc/34/06/66/181340666.db2.gz	OIZMOPVZTUGFFV-QFIPXVFZSA-N	1	0	305.465	4.862	50	30		DJEARO
C=C(C)C[C@H]1Cc2c(Br)cccc2[C@H](CC(=C)C)[NH2+]1	ZINC000021486991	182274951	/nfs/dbraw/zinc/27/49/51/182274951.db2.gz	GAPYTIFLTNNPAB-GUYCJALGSA-N	1	0	320.274	4.937	50	30		DJEARO
CC[NH+](CC)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)cc1	ZINC000058012639	184066778	/nfs/dbraw/zinc/06/67/78/184066778.db2.gz	KKHXPSCMSLMWAT-GOSISDBHSA-N	1	0	302.462	4.667	50	30		DJEARO
CCN1c2ccccc2C(C)(C)/C1=[NH+]\c1ccc(N(C)C)cc1	ZINC000102314944	256571925	/nfs/dbraw/zinc/57/19/25/256571925.db2.gz	WGMMFOKPXNHNFN-XUTLUUPISA-N	1	0	307.441	4.600	50	30		DJEARO
N#Cc1ccc(F)c(CNC(c2ccccc2)c2ccccc2)c1	ZINC000014901494	563702433	/nfs/dbraw/zinc/70/24/33/563702433.db2.gz	NDHVBSLHZHZCMB-UHFFFAOYSA-N	1	0	316.379	4.577	50	30		DJEARO
N#Cc1cccc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)c1	ZINC000053098414	563821197	/nfs/dbraw/zinc/82/11/97/563821197.db2.gz	JPZRUBTWLMYHOE-JOCHJYFZSA-N	1	0	312.416	4.632	50	30		DJEARO
CCCCCCCCCC[C@H](C(=O)OCCCC)[N+](C)(C)C	ZINC000100690063	563847990	/nfs/dbraw/zinc/84/79/90/563847990.db2.gz	GSOLEEFPQPYCOM-GOSISDBHSA-N	1	0	314.534	4.935	50	30		DJEARO
CCCCCCCCCCCC[C@@H](C(=O)OCC)[N+](C)(C)C	ZINC000100690022	563848145	/nfs/dbraw/zinc/84/81/45/563848145.db2.gz	JMFYTGVUDDMGME-SFHVURJKSA-N	1	0	314.534	4.935	50	30		DJEARO
C/C=C/C[N+]1(CC#Cc2cccc3ccccc23)CCCCC1	ZINC000002267767	563920981	/nfs/dbraw/zinc/92/09/81/563920981.db2.gz	KGIWPXYHPFKLIU-NSCUHMNNSA-N	1	0	304.457	4.768	50	30		DJEARO
CCCCCCCCCCCCCC[n+]1ccc(C(N)=O)cc1	ZINC000100857582	563962077	/nfs/dbraw/zinc/96/20/77/563962077.db2.gz	QYYVVKAVNQMLRM-UHFFFAOYSA-O	1	0	319.513	4.774	50	30		DJEARO
CCCCCCCCCCCCCC(=O)NCCC[NH+](C)C	ZINC000072399333	191149676	/nfs/dbraw/zinc/14/96/76/191149676.db2.gz	IFYDWYVPVAMGRO-UHFFFAOYSA-N	1	0	312.542	4.755	50	30	in-vitro	DJEARO
C[C@@H](/[NH+]=C\c1ccc(N(C)C)cc1)C12CC3CC(CC(C3)C1)C2	ZINC000003897119	181054420	/nfs/dbraw/zinc/05/44/20/181054420.db2.gz	JLJPJDUKAFBQKF-DLHVHDELSA-N	1	0	310.485	4.776	50	30		DJEARO
C[N@H+](CC#CCC(c1ccccc1)c1ccccc1)C(C)(C)C	ZINC000004828695	181157922	/nfs/dbraw/zinc/15/79/22/181157922.db2.gz	HFBVLGXCYLGKMD-UHFFFAOYSA-N	1	0	305.465	4.942	50	30		DJEARO
C=C(C)[C@@H]1CC=C(C[NH+]2CCN(c3cc(C)ccc3C)CC2)CC1	ZINC000004980556	181183881	/nfs/dbraw/zinc/18/38/81/181183881.db2.gz	RVJIICXZNLNWOP-OAQYLSRUSA-N	1	0	324.512	4.728	50	30		DJEARO
CN(C)c1ccc(/C=[NH+]/N(c2ccccc2)c2ccccc2)cc1	ZINC000012414030	181758792	/nfs/dbraw/zinc/75/87/92/181758792.db2.gz	YTJZGOONVHNAQC-OQKWZONESA-N	1	0	315.420	4.925	50	30		DJEARO
O=[N+]([O-])c1ccc(/C=[NH+]/CC23C[C@@H]4CC(C[C@@H](C4)C2)CC3)cc1	ZINC000018166749	182095997	/nfs/dbraw/zinc/09/59/97/182095997.db2.gz	BVQAVWXDZWXYQC-BHGDGMJPSA-N	1	0	312.413	4.620	50	30		DJEARO
CCCCCCCCc1ccc(/C(C=[N+](C)C)=C/N(C)C)cc1	ZINC000097960729	193771529	/nfs/dbraw/zinc/77/15/29/193771529.db2.gz	MMFSAYZSLSBCGW-UHFFFAOYSA-N	1	0	315.525	4.835	50	30		DJEARO
C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1	ZINC000011038780	257254015	/nfs/dbraw/zinc/25/40/15/257254015.db2.gz	YFGQPLICGCMOLC-NSHDSACASA-N	1	0	305.208	4.716	50	30		DJEARO
CCCCCCCCCC[C@@H](C(=O)OCCCC)[N+](C)(C)C	ZINC000100690066	563847955	/nfs/dbraw/zinc/84/79/55/563847955.db2.gz	GSOLEEFPQPYCOM-SFHVURJKSA-N	1	0	314.534	4.935	50	30		DJEARO
O=C1c2ccccc2[C@@H]([NH2+]C2CCCCC2)/C1=C/c1ccccc1	ZINC000031947449	563441297	/nfs/dbraw/zinc/44/12/97/563441297.db2.gz	XJDKPLZUXCIMIS-WOHXKIKESA-N	1	0	317.432	4.930	50	30	in-vitro	DJEARO
CCCCCCCCCCCCCCCC[NH2+]CCC(N)=O	ZINC000100016095	563544683	/nfs/dbraw/zinc/54/46/83/563544683.db2.gz	BVNAGZLLCHHIFC-UHFFFAOYSA-N	1	0	312.542	4.933	50	30		DJEARO
CCCCCCCCn1c2c(c(=[NH2+])c3c1CCCC3)CCC2	ZINC000017413888	563627312	/nfs/dbraw/zinc/62/73/12/563627312.db2.gz	PAJBNEAIPBNKCW-UHFFFAOYSA-N	1	0	300.490	4.696	50	30		DJEARO
CN(C)c1ccc(/C=[NH+]/CC23C[C@@H]4CC(C[C@@H](C4)C2)CC3)cc1	ZINC000001881996	563882613	/nfs/dbraw/zinc/88/26/13/563882613.db2.gz	NBIIJBIUHGBQDM-XOYSTGHPSA-N	1	0	310.485	4.778	50	30		DJEARO
CC(C)[C@@H]1/C(=N\O)C[C@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000105392494	563914137	/nfs/dbraw/zinc/91/41/37/563914137.db2.gz	XLYIKINYBVURBX-XOTMINMHSA-N	1	0	308.425	4.565	50	30		DJEARO
COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2ccccc2C#N)cc1	ZINC000057620328	563942105	/nfs/dbraw/zinc/94/21/05/563942105.db2.gz	PBKIMWXEFMIOID-NRFANRHFSA-N	1	0	320.436	4.684	50	30		DJEARO