smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1[N+](=O)[O-]	ZINC000015671306	555928279	/nfs/dbraw/zinc/92/82/79/555928279.db2.gz	WFWLXRCJSMDXCZ-UHFFFAOYSA-N	0	3	462.532	1.349	50	5		JDBAHN
O=C(NCCN1CCOCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C3CCCC3)C[C@H]12	ZINC000035894838	569723143	/nfs/dbraw/zinc/72/31/43/569723143.db2.gz	DOIQQBZLTOTDEY-FYYLOGMGSA-N	0	3	457.575	1.649	50	5		JDBAHN
O=C(NCCN1CCOCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C3CCCC3)C[C@H]12	ZINC000035894836	569723198	/nfs/dbraw/zinc/72/31/98/569723198.db2.gz	DOIQQBZLTOTDEY-JTHBVZDNSA-N	0	3	457.575	1.649	50	5		JDBAHN
O=C(NCCN1CCOCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C3CCCC3)C[C@@H]12	ZINC000035894840	569723252	/nfs/dbraw/zinc/72/32/52/569723252.db2.gz	DOIQQBZLTOTDEY-GMAHTHKFSA-N	0	3	457.575	1.649	50	5		JDBAHN
COC(=O)C(Cc1nc2cc(C)c(C)cc2[nH]c1=O)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000019878881	555524598	/nfs/dbraw/zinc/52/45/98/555524598.db2.gz	NDNFYUQTMUJKLA-HNNXBMFYSA-N	0	3	452.423	1.988	50	5		JDBAHN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OC[C@H](O)CN(CCO)Cc1ccccc1	ZINC000009550274	555348770	/nfs/dbraw/zinc/34/87/70/555348770.db2.gz	YZHVUMWALPIBOQ-LJQANCHMSA-N	0	3	479.555	1.614	50	5		JDBAHN
COc1ccccc1CNC[C@H](O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	ZINC000040459281	569829514	/nfs/dbraw/zinc/82/95/14/569829514.db2.gz	BPAIYUVFXUHVBR-KRWDZBQOSA-N	0	3	465.528	1.917	50	5		JDBAHN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OC[C@@H](O)CN(CCO)Cc1ccccc1	ZINC000009550271	555348697	/nfs/dbraw/zinc/34/86/97/555348697.db2.gz	YZHVUMWALPIBOQ-IBGZPJMESA-N	0	3	479.555	1.614	50	5		JDBAHN
COc1ccccc1CNC[C@@H](O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	ZINC000040459283	569829544	/nfs/dbraw/zinc/82/95/44/569829544.db2.gz	BPAIYUVFXUHVBR-QGZVFWFLSA-N	0	3	465.528	1.917	50	5		JDBAHN
CC(=O)N1CCN(c2ccc(S(=O)(=O)NCCN(C(C)C)C(C)C)cc2[N+](=O)[O-])CC1	ZINC000008687829	562953618	/nfs/dbraw/zinc/95/36/18/562953618.db2.gz	VTSSWWZCXDPWCH-UHFFFAOYSA-N	0	3	455.581	1.660	50	5		JDBAHN
COc1cc(OC)cc(N2C(=O)C[C@H](NC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)C2=O)c1	ZINC000100210046	569755430	/nfs/dbraw/zinc/75/54/30/569755430.db2.gz	MQMDNNXPZYIWRQ-IBGZPJMESA-N	0	3	455.471	1.898	50	5		JDBAHN
COCCCn1c(=N)c(C(=O)NCCN2CCCCC2)cc2c1nc1c(C)cccn1c2=O	ZINC000002408163	554190000	/nfs/dbraw/zinc/19/00/00/554190000.db2.gz	OWOCXNUQAPXUCQ-UHFFFAOYSA-N	0	3	452.559	1.689	50	5		JDBAHN
COC(=O)C(Cc1nc2cc(C)c(C)cc2[nH]c1=O)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000019878883	555524503	/nfs/dbraw/zinc/52/45/03/555524503.db2.gz	NDNFYUQTMUJKLA-OAHLLOKOSA-N	0	3	452.423	1.988	50	5		JDBAHN
O=C(NCCN1CCOCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C3CCCC3)C[C@@H]12	ZINC000035894842	569723188	/nfs/dbraw/zinc/72/31/88/569723188.db2.gz	DOIQQBZLTOTDEY-GGAORHGYSA-N	0	3	457.575	1.649	50	5		JDBAHN
Cc1ccc2c(c1)c(=O)n(-c1cccc([N+](=O)[O-])c1)c(=O)n2CC(=O)NCCN1CCCC1	ZINC000096318078	130063144	/nfs/dbraw/zinc/06/31/44/130063144.db2.gz	UZIASFATCKSKKB-UHFFFAOYSA-N	0	3	451.483	1.581	50	5		JDBAHN
COc1cc(OC)cc(N2C(=O)C[C@@H](NC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)C2=O)c1	ZINC000018217947	522860579	/nfs/dbraw/zinc/86/05/79/522860579.db2.gz	MQMDNNXPZYIWRQ-LJQANCHMSA-N	0	3	455.471	1.898	50	5		JDBAHN
CN(C)CCNC(=O)CN1CCN(C(=O)COc2ccc3c(c2)oc(=O)c2ccccc32)CC1	ZINC000013628253	555540238	/nfs/dbraw/zinc/54/02/38/555540238.db2.gz	MZAGVMMLTGIYGP-UHFFFAOYSA-N	0	3	466.538	1.147	50	5		JDBAHN
O=C(Cn1c(=O)n(-c2cccc([N+](=O)[O-])c2)c(=O)c2ccc(Cl)cc21)NCCN1CCCC1	ZINC000096317834	130062401	/nfs/dbraw/zinc/06/24/01/130062401.db2.gz	ABYASLACMJENBP-UHFFFAOYSA-N	0	3	471.901	1.926	50	5		JDBAHN