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+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC[NH+](C)CC1	ZINC000063120738	184271859	/nfs/dbraw/zinc/27/18/59/184271859.db2.gz	BQEOFSBMCHFJEB-UHFFFAOYSA-N	2	0	311.813	3.022	10	5		DGBERP
CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1	ZINC000173387180	432275287	/nfs/dbraw/zinc/27/52/87/432275287.db2.gz	JJUKGGZHKSWGCS-AWEZNQCLSA-N	2	0	305.422	3.367	10	5		DGBERP
C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC[NH+](C)C)CC1	ZINC000067457428	432031299	/nfs/dbraw/zinc/03/12/99/432031299.db2.gz	QWXHGFVRSQFTQG-CQSZACIVSA-N	2	0	305.422	3.320	10	5		DGBERP
Cc1nccn1CCC[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000127286315	284333251	/nfs/dbraw/zinc/33/32/51/284333251.db2.gz	LGYDJMMZENMQHC-CYBMUJFWSA-N	2	0	302.378	3.183	10	5		DGBERP
CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000122781582	284225802	/nfs/dbraw/zinc/22/58/02/284225802.db2.gz	PBGSQVSATVYNTP-AWEZNQCLSA-N	2	0	305.422	3.367	10	5		DGBERP
C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1	ZINC000261829871	290251355	/nfs/dbraw/zinc/25/13/55/290251355.db2.gz	BMLYHLBCYKTZKA-CXAGYDPISA-N	2	0	303.406	3.120	10	5		DGBERP
Cc1cc(N[C@@H]2CCC[NH2+][C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000262513609	657655266	/nfs/dbraw/zinc/65/52/66/657655266.db2.gz	NEXPQNZKXLZZHS-SMDDNHRTSA-N	2	0	300.362	3.004	10	5		DGBERP
Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-]	ZINC000134204270	196369988	/nfs/dbraw/zinc/36/99/88/196369988.db2.gz	FUIBMKSJRAORBO-UHFFFAOYSA-N	2	0	317.433	3.211	10	5		DGBERP
Cc1nccn1CCC[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000127286045	284333363	/nfs/dbraw/zinc/33/33/63/284333363.db2.gz	LGYDJMMZENMQHC-ZDUSSCGKSA-N	2	0	302.378	3.183	10	5		DGBERP
Cc1cc(N[C@H]2CCC[NH2+][C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000262513602	274719861	/nfs/dbraw/zinc/71/98/61/274719861.db2.gz	NEXPQNZKXLZZHS-RISCZKNCSA-N	2	0	300.362	3.004	10	5		DGBERP
C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[NH+]2CCCC2)CC1	ZINC000194734152	165354402	/nfs/dbraw/zinc/35/44/02/165354402.db2.gz	UPPDBTLGHOKTOW-HNNXBMFYSA-N	2	0	317.433	3.464	10	5		DGBERP
C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1	ZINC000261829882	296234312	/nfs/dbraw/zinc/23/43/12/296234312.db2.gz	BMLYHLBCYKTZKA-SUMWQHHRSA-N	2	0	303.406	3.120	10	5		DGBERP
C[N+](C)(C)CCCCCC[NH2+]CCCCCC[N+](C)(C)C	ZINC000077301192	431580611	/nfs/dbraw/zinc/58/06/11/431580611.db2.gz	NAVAMLKAUYXFIY-UHFFFAOYSA-N	3	0	301.563	3.109	10	5	in-vitro	DGBERP
CCC[NH+]1CCC(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1	ZINC000173387188	432275093	/nfs/dbraw/zinc/27/50/93/432275093.db2.gz	JJUKGGZHKSWGCS-CQSZACIVSA-N	2	0	305.422	3.367	10	5		DGBERP
CC[NH+](CC)CC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1	ZINC000506852038	294277697	/nfs/dbraw/zinc/27/76/97/294277697.db2.gz	TVNVSJHFKLKXDM-UHFFFAOYSA-N	2	0	319.449	3.457	10	5		DGBERP
CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000122781813	284225940	/nfs/dbraw/zinc/22/59/40/284225940.db2.gz	PBGSQVSATVYNTP-CQSZACIVSA-N	2	0	305.422	3.367	10	5		DGBERP
C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[NH+]2CCCC2)CC1	ZINC000194734168	165354446	/nfs/dbraw/zinc/35/44/46/165354446.db2.gz	UPPDBTLGHOKTOW-OAHLLOKOSA-N	2	0	317.433	3.464	10	5		DGBERP
C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC[NH+](C)C)CC1	ZINC000067457426	432031456	/nfs/dbraw/zinc/03/14/56/432031456.db2.gz	QWXHGFVRSQFTQG-AWEZNQCLSA-N	2	0	305.422	3.320	10	5		DGBERP
C[NH+]1CCC(CC[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000105454829	194104158	/nfs/dbraw/zinc/10/41/58/194104158.db2.gz	BHGMNZBVWVMDTC-UHFFFAOYSA-N	2	0	311.813	3.070	10	5		DGBERP
Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1	ZINC000183265828	432276950	/nfs/dbraw/zinc/27/69/50/432276950.db2.gz	KFDYGGUNJWMBJG-UHFFFAOYSA-N	2	0	317.433	3.211	10	5		DGBERP
Cc1cc(N[C@@H]2CCC[NH2+][C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000262513592	657655605	/nfs/dbraw/zinc/65/56/05/657655605.db2.gz	NEXPQNZKXLZZHS-BXUZGUMPSA-N	2	0	300.362	3.004	10	5		DGBERP
Cc1cc(N[C@H]2CCC[NH2+][C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000262513593	274719840	/nfs/dbraw/zinc/71/98/40/274719840.db2.gz	NEXPQNZKXLZZHS-FZMZJTMJSA-N	2	0	300.362	3.004	10	5		DGBERP
C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1	ZINC000261829879	287144993	/nfs/dbraw/zinc/14/49/93/287144993.db2.gz	BMLYHLBCYKTZKA-GUYCJALGSA-N	2	0	303.406	3.120	10	5		DGBERP
Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CC[NH+](C)C)CC1	ZINC000183294630	432280865	/nfs/dbraw/zinc/28/08/65/432280865.db2.gz	AUTZQWPHCKJAQW-UHFFFAOYSA-N	2	0	305.422	3.067	10	5		DGBERP
C[N+](C)(C)CCC[n+]1ccc(CCc2c[nH]c3ccccc23)cc1	ZINC000003620905	181042167	/nfs/dbraw/zinc/04/21/67/181042167.db2.gz	FBTOHHPEXCESMX-UHFFFAOYSA-N	2	0	323.484	3.337	10	5		DGBERP
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC[C@H]1CCCC[N@@H+]1C	ZINC000248446509	432291761	/nfs/dbraw/zinc/29/17/61/432291761.db2.gz	MZODIGWTAHCBTL-GDBMZVCRSA-N	2	0	305.422	3.462	10	5		DGBERP
C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1	ZINC000261829875	290250546	/nfs/dbraw/zinc/25/05/46/290250546.db2.gz	BMLYHLBCYKTZKA-DYVFJYSZSA-N	2	0	303.406	3.120	10	5		DGBERP
C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1	ZINC000131794126	196200249	/nfs/dbraw/zinc/20/02/49/196200249.db2.gz	JCCKBLYOVFDCOX-JATKITJMSA-N	2	0	303.406	3.261	10	5		DGBERP
Cc1c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-]	ZINC000047968259	431917752	/nfs/dbraw/zinc/91/77/52/431917752.db2.gz	GWOCNKQCKRNDDU-UHFFFAOYSA-N	2	0	317.433	3.211	10	5		DGBERP
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC[C@H]1CCCC[N@@H+]1C	ZINC000248446512	432292032	/nfs/dbraw/zinc/29/20/32/432292032.db2.gz	MZODIGWTAHCBTL-GOEBONIOSA-N	2	0	305.422	3.462	10	5		DGBERP
Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CCC[NH+](C)C)CC1	ZINC000183371991	323335450	/nfs/dbraw/zinc/33/54/50/323335450.db2.gz	VIDJOEZEGAOTIX-UHFFFAOYSA-N	2	0	319.449	3.457	10	5		DGBERP