smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(Cc1c(CC(C)(C)[N+](=O)[O-])c(C(=O)[O-])[nH]c1C(=O)[O-])[N+](=O)[O-]	ZINC000025540357	519070027	/nfs/dbraw/zinc/07/00/27/519070027.db2.gz	USHQCTWUMNPBTJ-UHFFFAOYSA-N	-2	0	357.319	1.607	50	5		FDBARL
COc1cc([N+](=O)[O-])cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1[O-]	ZINC000016194935	518745468	/nfs/dbraw/zinc/74/54/68/518745468.db2.gz	GKWRNRXRNXFSPK-NSCUHMNNSA-N	-2	0	350.243	1.177	50	5		FDBARL
CC(C)[C@H](Nc1nc(N2CCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000004106677	207001390	/nfs/dbraw/zinc/00/13/90/207001390.db2.gz	SWXCOMQBIUDZKM-JQWIXIFHSA-N	-2	0	352.347	1.564	50	5		FDBARL
O=C([O-])c1ccc2c(c1)C(=O)N(c1cc([N+](=O)[O-])ccc1C(=O)[O-])C2=O	ZINC000004713399	207039937	/nfs/dbraw/zinc/03/99/37/207039937.db2.gz	LLTMSFZCLJTSRG-UHFFFAOYSA-N	-2	0	356.246	1.792	50	5		FDBARL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	ZINC000002928063	518254369	/nfs/dbraw/zinc/25/43/69/518254369.db2.gz	CAAYLJCAKBMQRF-UHFFFAOYSA-N	-2	0	356.246	1.792	50	5		FDBARL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1	ZINC000003657468	206989193	/nfs/dbraw/zinc/98/91/93/206989193.db2.gz	NCCMKBRTIATIBC-UHFFFAOYSA-N	-2	0	356.246	1.792	50	5		FDBARL
O=C(c1[n-][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2)c1ccccc1	ZINC000100165660	209211002	/nfs/dbraw/zinc/21/10/02/209211002.db2.gz	DLAIKQNQMALZCB-UKRRQHHQSA-N	-2	0	364.317	1.295	50	5		FDBARL
COc1cccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c1OCC(=O)[O-]	ZINC000012371660	207364938	/nfs/dbraw/zinc/36/49/38/207364938.db2.gz	YFOGEHLJFQNLRN-AATRIKPKSA-N	-3	0	363.282	1.026	50	5		FDBARL
CCOC(=O)COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000009234853	207262727	/nfs/dbraw/zinc/26/27/27/207262727.db2.gz	BYUNSBUDFDGNDR-VMPITWQZSA-N	-2	0	361.310	1.496	50	5		FDBARL
O=C(c1[n-][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2)c1ccccc1	ZINC000100165668	222238640	/nfs/dbraw/zinc/23/86/40/222238640.db2.gz	DLAIKQNQMALZCB-ZFWWWQNUSA-N	-2	0	364.317	1.295	50	5		FDBARL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[O-])cc2)c1	ZINC000008765695	518486835	/nfs/dbraw/zinc/48/68/35/518486835.db2.gz	AWVJFWPLPCLFEY-UHFFFAOYSA-N	-2	0	358.353	1.642	50	5		FDBARL
O=C(c1[n-][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2)c1ccccc1	ZINC000100165664	222238359	/nfs/dbraw/zinc/23/83/59/222238359.db2.gz	DLAIKQNQMALZCB-HIFRSBDPSA-N	-2	0	364.317	1.295	50	5		FDBARL
Cc1noc2ncc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc12	ZINC000072301069	522209015	/nfs/dbraw/zinc/20/90/15/522209015.db2.gz	JBAYEYXGNGODED-UHFFFAOYSA-N	-2	0	350.312	1.946	50	5		FDBARL
COc1ccc(-c2n[nH]cc2C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000012370957	204455491	/nfs/dbraw/zinc/45/54/91/204455491.db2.gz	CEIVTHFFFBNUOC-QPJJXVBHSA-N	-2	0	355.310	1.953	50	5		FDBARL
O=C([O-])[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NS(=O)(=O)c1ccccc1	ZINC000035287481	519603796	/nfs/dbraw/zinc/60/37/96/519603796.db2.gz	FFTGZNSFCAEWNX-LBPRGKRZSA-N	-2	0	366.351	1.275	50	5		FDBARL
O=C(c1[n-][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2)c1ccccc1	ZINC000004693692	204155084	/nfs/dbraw/zinc/15/50/84/204155084.db2.gz	DLAIKQNQMALZCB-DZGCQCFKSA-N	-2	0	364.317	1.295	50	5		FDBARL
COc1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C(=O)[O-])c1	ZINC000095432814	525067326	/nfs/dbraw/zinc/06/73/26/525067326.db2.gz	VJTGMCRIZATNID-UHFFFAOYSA-N	-2	0	368.323	1.808	50	5		FDBARL
O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C2=O	ZINC000002078941	518235829	/nfs/dbraw/zinc/23/58/29/518235829.db2.gz	ANVRIYQNASUAAE-UHFFFAOYSA-N	-2	0	356.246	1.792	50	5		FDBARL
NNc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000003885827	518280184	/nfs/dbraw/zinc/28/01/84/518280184.db2.gz	HVCPGOYZUNZBCN-UHFFFAOYSA-N	-2	0	352.328	1.379	50	5		FDBARL
O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000007360757	518417093	/nfs/dbraw/zinc/41/70/93/518417093.db2.gz	NPNVUBHNZKIDKN-UHFFFAOYSA-N	-2	0	352.324	1.859	50	5		FDBARL
O=C([O-])c1ccc(S(=O)(=O)c2ccccc2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000003027643	518256945	/nfs/dbraw/zinc/25/69/45/518256945.db2.gz	LYRIMMZBEXVPMO-UHFFFAOYSA-N	-2	0	351.292	1.824	50	5		FDBARL
O=C([O-])COc1cc([N+](=O)[O-])c(OCC(=O)[O-])cc1Br	ZINC000004717841	518309477	/nfs/dbraw/zinc/30/94/77/518309477.db2.gz	LLHBKADQVJAURG-UHFFFAOYSA-N	-2	0	350.077	1.284	50	5		FDBARL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3O)ccc1[O-]	ZINC000225616591	537555507	/nfs/dbraw/zinc/55/55/07/537555507.db2.gz	ITHFMIHWZMFDJA-ZDUSSCGKSA-N	-2	0	366.351	1.917	50	5		FDBARL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c([N+](=O)[O-])cc1OC	ZINC000072328161	221467447	/nfs/dbraw/zinc/46/74/47/221467447.db2.gz	KXHPUIKUPJRLJV-ONEGZZNKSA-N	-2	0	364.270	1.480	50	5		FDBARL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)[O-]	ZINC000012419289	518611116	/nfs/dbraw/zinc/61/11/16/518611116.db2.gz	RBHBEWQWGSWVRQ-HWKANZROSA-N	-3	0	363.282	1.026	50	5		FDBARL
CC(C)[C@@H](Nc1nc(N2CCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000004106679	518286761	/nfs/dbraw/zinc/28/67/61/518286761.db2.gz	SWXCOMQBIUDZKM-CMPLNLGQSA-N	-2	0	352.347	1.564	50	5		FDBARL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3O)ccc1[O-]	ZINC000225616563	537555447	/nfs/dbraw/zinc/55/54/47/537555447.db2.gz	ITHFMIHWZMFDJA-CYBMUJFWSA-N	-2	0	366.351	1.917	50	5		FDBARL