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-])c1ccc2c(c1)C=C1CCCC[C@]1(NC1CCCCC1)O2	ZINC000055443997	214324504	/nfs/dbraw/zinc/32/45/04/214324504.db2.gz	IDGGQSCDTZNZLD-IBGZPJMESA-N	0	3	328.412	4.563	50	5		EJBAHN
O=[N+]([O-])c1ccc(CNC2(c3ccc(Cl)cc3)CCCC2)cc1	ZINC000072097189	216007496	/nfs/dbraw/zinc/00/74/96/216007496.db2.gz	NUQLMAFJXPAVEX-UHFFFAOYSA-N	0	3	330.815	4.807	50	5		EJBAHN
CCN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1	ZINC000004985822	210349622	/nfs/dbraw/zinc/34/96/22/210349622.db2.gz	LEFZHNZNCQWAOQ-UHFFFAOYSA-N	0	3	336.391	4.877	50	5		EJBAHN
O=[N+]([O-])c1ccc(CN[C@@H](Cc2ccccc2)c2ccccc2)cc1	ZINC000019720760	212058306	/nfs/dbraw/zinc/05/83/06/212058306.db2.gz	XOXFTTZLYIITQI-NRFANRHFSA-N	0	3	332.403	4.668	50	5		EJBAHN
Cn1c2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1CN1CCCCC1	ZINC000004123274	210126547	/nfs/dbraw/zinc/12/65/47/210126547.db2.gz	NLCRJYLQKFVYDY-UHFFFAOYSA-N	0	3	349.434	4.739	50	5		EJBAHN
COc1ccc([N+](=O)[O-])cc1Nc1c2ccccc2nc2c1CCCC2	ZINC000000429746	563999086	/nfs/dbraw/zinc/99/90/86/563999086.db2.gz	UOHKZUBKZXVJOA-UHFFFAOYSA-N	0	3	349.390	4.774	50	5		EJBAHN
O=[N+]([O-])c1cccc(CN[C@H](Cc2ccccc2)c2ccccc2)c1	ZINC000019720511	212057452	/nfs/dbraw/zinc/05/74/52/212057452.db2.gz	RJWHELKYTYPFJZ-OAQYLSRUSA-N	0	3	332.403	4.668	50	5		EJBAHN
CCOC(=O)c1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000004015364	210100779	/nfs/dbraw/zinc/10/07/79/210100779.db2.gz	AZGLTYFDKZEJGU-UHFFFAOYSA-N	0	3	342.398	4.730	50	5		EJBAHN
C[C@@H](Cc1ccccc1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000025158223	564053632	/nfs/dbraw/zinc/05/36/32/564053632.db2.gz	OYISQWIGECEWSC-HNNXBMFYSA-N	0	3	336.391	4.576	50	5		EJBAHN
CCN1CCN(Cc2ccc3ccc4cccc5ccc2c3c45)CC1	ZINC000019634505	212053086	/nfs/dbraw/zinc/05/30/86/212053086.db2.gz	MZYWKOAWFPYMTA-UHFFFAOYSA-N	0	3	328.459	4.722	50	5		EJBAHN
O=[N+]([O-])c1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)cc1	ZINC000019720761	212058497	/nfs/dbraw/zinc/05/84/97/212058497.db2.gz	XOXFTTZLYIITQI-OAQYLSRUSA-N	0	3	332.403	4.668	50	5		EJBAHN
O=[N+]([O-])c1ccc(-c2c([S-])sc3c4ccccc4cc[n+]32)cc1	ZINC000071767288	563983072	/nfs/dbraw/zinc/98/30/72/563983072.db2.gz	AGMZPFVKRIDDHT-UHFFFAOYSA-O	0	3	339.421	4.504	50	5		EJBAHN
O=[N+]([O-])c1ccc2c(c1)C=C1CCCC[C@@]1(NC1CCCCC1)O2	ZINC000055443998	214324691	/nfs/dbraw/zinc/32/46/91/214324691.db2.gz	IDGGQSCDTZNZLD-LJQANCHMSA-N	0	3	328.412	4.563	50	5		EJBAHN
Cc1ccsc1CNCc1ccc(-c2cccc([N+](=O)[O-])c2)s1	ZINC000084257553	564067559	/nfs/dbraw/zinc/06/75/59/564067559.db2.gz	HSQPCLGTZVONKA-UHFFFAOYSA-N	0	3	344.461	4.983	50	5		EJBAHN
O=[N+]([O-])c1ccc(CN(CCc2ccccc2)Cc2ccccc2)cc1	ZINC000019632845	202015106	/nfs/dbraw/zinc/01/51/06/202015106.db2.gz	JTJQIZFGHCUMRE-UHFFFAOYSA-N	0	3	346.430	4.840	50	5		EJBAHN
CC(C)=CCCCCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004980841	563993593	/nfs/dbraw/zinc/99/35/93/563993593.db2.gz	QGOHQPYKOZVJTR-UHFFFAOYSA-N	0	3	345.487	4.634	50	5		EJBAHN
C[C@H](Cc1ccccc1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000025158229	564053617	/nfs/dbraw/zinc/05/36/17/564053617.db2.gz	OYISQWIGECEWSC-OAHLLOKOSA-N	0	3	336.391	4.576	50	5		EJBAHN
Cc1c(CN[C@@H](c2ccc(Cl)cc2)C2CC2)cccc1[N+](=O)[O-]	ZINC000089540482	564092747	/nfs/dbraw/zinc/09/27/47/564092747.db2.gz	HFVOYRBHRXSRME-GOSISDBHSA-N	0	3	330.815	4.798	50	5		EJBAHN
CCN1CCN(Cc2c3ccccc3c(Cl)c3ccccc32)CC1	ZINC000019634837	202015413	/nfs/dbraw/zinc/01/54/13/202015413.db2.gz	RRAUFWWBPNNBHI-UHFFFAOYSA-N	0	3	338.882	4.784	50	5		EJBAHN
O=[N+]([O-])c1cccc(CN[C@@H](Cc2ccccc2)c2ccccc2)c1	ZINC000019720510	212056918	/nfs/dbraw/zinc/05/69/18/212056918.db2.gz	RJWHELKYTYPFJZ-NRFANRHFSA-N	0	3	332.403	4.668	50	5		EJBAHN
O=[N+]([O-])c1ccccc1/C=C/CN1CCC(Cc2ccccc2)CC1	ZINC000000279380	563990072	/nfs/dbraw/zinc/99/00/72/563990072.db2.gz	NHHIFUHRKMGBQL-UXBLZVDNSA-N	0	3	336.435	4.563	50	5		EJBAHN
Cc1c(CN[C@H](c2ccc(Cl)cc2)C2CC2)cccc1[N+](=O)[O-]	ZINC000089540485	564092738	/nfs/dbraw/zinc/09/27/38/564092738.db2.gz	HFVOYRBHRXSRME-SFHVURJKSA-N	0	3	330.815	4.798	50	5		EJBAHN
CC(C)N(Cc1ccccc1)Cc1ccc([N+](=O)[O-])c2cccnc12	ZINC000012768418	564068411	/nfs/dbraw/zinc/06/84/11/564068411.db2.gz	MDKFNRNFBHAFAH-UHFFFAOYSA-N	0	3	335.407	4.554	50	5		EJBAHN