smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c([C@H](C)[NH2+]CCCn2cc[nH+]c2)cccc1[N+](=O)[O-]	ZINC000089540475	374920165	/nfs/dbraw/zinc/92/01/65/374920165.db2.gz	VXNQWCFBZKLFOT-ZDUSSCGKSA-N	2	2	288.351	2.841	50	5		CFBALP
C[N@@H+]1CCCC12CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2	ZINC000253417626	383457704	/nfs/dbraw/zinc/45/77/04/383457704.db2.gz	NIKVLMFNLQIMOE-UHFFFAOYSA-N	2	2	289.379	2.655	50	5		CFBALP
C[N@H+]1CCCC12CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2	ZINC000253417626	383457708	/nfs/dbraw/zinc/45/77/08/383457708.db2.gz	NIKVLMFNLQIMOE-UHFFFAOYSA-N	2	2	289.379	2.655	50	5		CFBALP
C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1	ZINC000004987586	170049658	/nfs/dbraw/zinc/04/96/58/170049658.db2.gz	FQQMTEWDFMVQHB-FNORWQNLSA-N	2	2	289.379	2.634	50	5		CFBALP
C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1	ZINC000004987586	170049659	/nfs/dbraw/zinc/04/96/59/170049659.db2.gz	FQQMTEWDFMVQHB-FNORWQNLSA-N	2	2	289.379	2.634	50	5		CFBALP
C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC[NH+](C)CC1	ZINC000000240092	371566149	/nfs/dbraw/zinc/56/61/49/371566149.db2.gz	BLKWYBIBFDPURB-UHFFFAOYSA-N	2	2	297.786	2.774	50	5		CFBALP
C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC[NH+](C)CC1	ZINC000000240092	371566157	/nfs/dbraw/zinc/56/61/57/371566157.db2.gz	BLKWYBIBFDPURB-UHFFFAOYSA-N	2	2	297.786	2.774	50	5		CFBALP
Cc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-]	ZINC000277404866	384293329	/nfs/dbraw/zinc/29/33/29/384293329.db2.gz	HZYJUTXIPROHKD-OAHLLOKOSA-N	2	2	291.395	2.819	50	5		CFBALP
Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-]	ZINC000277404866	384293337	/nfs/dbraw/zinc/29/33/37/384293337.db2.gz	HZYJUTXIPROHKD-OAHLLOKOSA-N	2	2	291.395	2.819	50	5		CFBALP
CC[NH+]1CCC([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)CC1	ZINC000077249291	177239489	/nfs/dbraw/zinc/23/94/89/177239489.db2.gz	WIZFFCDYUGAHRN-UHFFFAOYSA-N	2	2	291.395	2.819	50	5		CFBALP
CC[NH+]1CCC([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)CC1	ZINC000077249291	177239491	/nfs/dbraw/zinc/23/94/91/177239491.db2.gz	WIZFFCDYUGAHRN-UHFFFAOYSA-N	2	2	291.395	2.819	50	5		CFBALP
O=[N+]([O-])c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1	ZINC000004804112	280363348	/nfs/dbraw/zinc/36/33/48/280363348.db2.gz	LPFZHYVGQFDENP-UHFFFAOYSA-N	2	2	289.379	2.655	50	5		CFBALP
Cc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-]	ZINC000277404865	384292871	/nfs/dbraw/zinc/29/28/71/384292871.db2.gz	HZYJUTXIPROHKD-HNNXBMFYSA-N	2	2	291.395	2.819	50	5		CFBALP
Cc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-]	ZINC000277404865	384292880	/nfs/dbraw/zinc/29/28/80/384292880.db2.gz	HZYJUTXIPROHKD-HNNXBMFYSA-N	2	2	291.395	2.819	50	5		CFBALP
O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1	ZINC000084380168	374776312	/nfs/dbraw/zinc/77/63/12/374776312.db2.gz	TVPJEUUDEFWXJJ-INIZCTEOSA-N	2	2	299.330	2.643	50	5		CFBALP
O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1	ZINC000084380168	374776320	/nfs/dbraw/zinc/77/63/20/374776320.db2.gz	TVPJEUUDEFWXJJ-INIZCTEOSA-N	2	2	299.330	2.643	50	5		CFBALP
O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1	ZINC000084380170	374776813	/nfs/dbraw/zinc/77/68/13/374776813.db2.gz	TVPJEUUDEFWXJJ-MRXNPFEDSA-N	2	2	299.330	2.643	50	5		CFBALP
O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1	ZINC000084380170	374776819	/nfs/dbraw/zinc/77/68/19/374776819.db2.gz	TVPJEUUDEFWXJJ-MRXNPFEDSA-N	2	2	299.330	2.643	50	5		CFBALP
Cc1c([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cccc1[N+](=O)[O-]	ZINC000089540473	374920252	/nfs/dbraw/zinc/92/02/52/374920252.db2.gz	VXNQWCFBZKLFOT-CYBMUJFWSA-N	2	2	288.351	2.841	50	5		CFBALP