smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(C[N@@H+](CCO)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000072970304	396140001	/nfs/dbraw/zinc/14/00/01/396140001.db2.gz	HAFDPEZRIRARSF-CYBMUJFWSA-N	1	2	314.363	0.576	40	5		DCBBLO
O=[N+]([O-])c1ccc(C[N@H+](CCO)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000072970304	396140002	/nfs/dbraw/zinc/14/00/02/396140002.db2.gz	HAFDPEZRIRARSF-CYBMUJFWSA-N	1	2	314.363	0.576	40	5		DCBBLO
CC[NH+]1CCN(c2c([N+](=O)[O-])cc(C(N)=O)cc2[N+](=O)[O-])CC1	ZINC000026508743	276387683	/nfs/dbraw/zinc/38/76/83/276387683.db2.gz	GAWMPOMPIRMGMC-UHFFFAOYSA-N	1	2	323.309	0.744	40	5		DCBBLO
O=C(COc1ccc([N+](=O)[O-])cc1)OCC[NH+]1CCOCC1	ZINC000031938787	395708631	/nfs/dbraw/zinc/70/86/31/395708631.db2.gz	PAIXMTGXICANES-UHFFFAOYSA-N	1	2	310.306	0.849	40	5		DCBBLO
CCN1CC[NH+](C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)CC1	ZINC000001473254	395680874	/nfs/dbraw/zinc/68/08/74/395680874.db2.gz	PQQUDVDKLTZLEZ-CQSZACIVSA-N	1	2	309.366	0.972	40	5		DCBBLO
CCN1CC[NH+](C[C@H](O)COc2ccc([N+](=O)[O-])cc2)CC1	ZINC000001473253	395680911	/nfs/dbraw/zinc/68/09/11/395680911.db2.gz	PQQUDVDKLTZLEZ-AWEZNQCLSA-N	1	2	309.366	0.972	40	5		DCBBLO
CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575423093	417534250	/nfs/dbraw/zinc/53/42/50/417534250.db2.gz	YACHULVDAIXQQN-OLZOCXBDSA-N	1	2	314.363	0.575	40	5		DCBBLO
CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575423093	417534255	/nfs/dbraw/zinc/53/42/55/417534255.db2.gz	YACHULVDAIXQQN-OLZOCXBDSA-N	1	2	314.363	0.575	40	5		DCBBLO
Cc1nn(Cc2[nH]n3cnc4nncc-4c3[nH+]2)c(C)c1[N+](=O)[O-]	ZINC000017052319	182070480	/nfs/dbraw/zinc/07/04/80/182070480.db2.gz	CMGKVBYFMCWTJY-UHFFFAOYSA-N	1	2	313.281	0.770	40	5		DCBBLO
CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@H]1O	ZINC000575423095	417534683	/nfs/dbraw/zinc/53/46/83/417534683.db2.gz	YACHULVDAIXQQN-QWHCGFSZSA-N	1	2	314.363	0.575	40	5		DCBBLO
CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@H]1O	ZINC000575423095	417534689	/nfs/dbraw/zinc/53/46/89/417534689.db2.gz	YACHULVDAIXQQN-QWHCGFSZSA-N	1	2	314.363	0.575	40	5		DCBBLO
CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575423096	417535462	/nfs/dbraw/zinc/53/54/62/417535462.db2.gz	YACHULVDAIXQQN-STQMWFEESA-N	1	2	314.363	0.575	40	5		DCBBLO
CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575423096	417535468	/nfs/dbraw/zinc/53/54/68/417535468.db2.gz	YACHULVDAIXQQN-STQMWFEESA-N	1	2	314.363	0.575	40	5		DCBBLO
C[NH+]1CCN(c2c([N+](=O)[O-])cc(C(N)=O)cc2[N+](=O)[O-])CC1	ZINC000026508738	282966436	/nfs/dbraw/zinc/96/64/36/282966436.db2.gz	GKGCMMMSOBJHDA-UHFFFAOYSA-N	1	2	309.282	0.354	40	5		DCBBLO
O=[N+]([O-])c1ccc(C[N@@H+](CCO)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000072970306	396140048	/nfs/dbraw/zinc/14/00/48/396140048.db2.gz	HAFDPEZRIRARSF-ZDUSSCGKSA-N	1	2	314.363	0.576	40	5		DCBBLO
O=[N+]([O-])c1ccc(C[N@H+](CCO)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000072970306	396140051	/nfs/dbraw/zinc/14/00/51/396140051.db2.gz	HAFDPEZRIRARSF-ZDUSSCGKSA-N	1	2	314.363	0.576	40	5		DCBBLO
CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000575423091	417534331	/nfs/dbraw/zinc/53/43/31/417534331.db2.gz	YACHULVDAIXQQN-CHWSQXEVSA-N	1	2	314.363	0.575	40	5		DCBBLO
CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000575423091	417534335	/nfs/dbraw/zinc/53/43/35/417534335.db2.gz	YACHULVDAIXQQN-CHWSQXEVSA-N	1	2	314.363	0.575	40	5		DCBBLO
O=[N+]([O-])c1ccc(NC(=S)NCC[NH+]2CCOCC2)nc1	ZINC000223891197	395857534	/nfs/dbraw/zinc/85/75/34/395857534.db2.gz	RNBGNEZFXLTLOF-UHFFFAOYSA-N	1	2	311.367	0.608	40	5		DCBBLO
CC1([N+](=O)[O-])COP(=O)(NCCC[NH+]2CCOCC2)OC1	ZINC000031670195	182620025	/nfs/dbraw/zinc/62/00/25/182620025.db2.gz	BBFOMNQPDFFACI-UHFFFAOYSA-N	1	2	323.286	0.489	40	5		DCBBLO
NC(=O)c1ccc(Sc2nc(N)cc(N)[nH+]2)c([N+](=O)[O-])c1	ZINC000016384431	182043555	/nfs/dbraw/zinc/04/35/55/182043555.db2.gz	KVDSOVZZOMRANP-UHFFFAOYSA-N	1	2	306.307	0.799	40	5		DCBBLO