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)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000036833135	205021123	/nfs/dbraw/zinc/02/11/23/205021123.db2.gz	LSIXEMGNHOMBNN-UHFFFAOYSA-N	-2	3	385.423	2.076	50	5		GEBAHL
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)c1C	ZINC000036833151	205021658	/nfs/dbraw/zinc/02/16/58/205021658.db2.gz	PKNMKVDMBRJYJZ-UHFFFAOYSA-N	-2	3	399.450	2.384	50	5		GEBAHL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Br)c1[O-]	ZINC000009295532	204305357	/nfs/dbraw/zinc/30/53/57/204305357.db2.gz	MUIXXXNIBQFUNR-NSCUHMNNSA-N	-3	3	384.142	2.031	50	5		GEBAHL
COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)c([N+](=O)[O-])cc1OC	ZINC000068569672	205272351	/nfs/dbraw/zinc/27/23/51/205272351.db2.gz	SFIDEUKAECNGFI-UHFFFAOYSA-N	-2	3	389.368	2.266	50	5		GEBAHL
O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000003319102	203997503	/nfs/dbraw/zinc/99/75/03/203997503.db2.gz	ZIGPOBPABDVHLT-CYBMUJFWSA-N	-2	3	384.797	2.222	50	5		GEBAHL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O	ZINC000036833126	570818859	/nfs/dbraw/zinc/81/88/59/570818859.db2.gz	GVCNKORRSBDBJE-UHFFFAOYSA-N	-2	3	385.423	2.076	50	5		GEBAHL
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1[O-]	ZINC000004719477	570857054	/nfs/dbraw/zinc/85/70/54/570857054.db2.gz	WDVLEOJQXOYKOG-NSCUHMNNSA-N	-2	3	384.142	2.031	50	5		GEBAHL
O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000003319101	642322446	/nfs/dbraw/zinc/32/24/46/642322446.db2.gz	ZIGPOBPABDVHLT-ZDUSSCGKSA-N	-2	3	384.797	2.222	50	5		GEBAHL
O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000040161596	207359708	/nfs/dbraw/zinc/35/97/08/207359708.db2.gz	RDQRIDOWJSQMBI-UHFFFAOYSA-N	-2	3	377.378	2.228	50	5		GEBAHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)[C@@H](C)O2	ZINC000089575516	208106264	/nfs/dbraw/zinc/10/62/64/208106264.db2.gz	QDVIITQZSDCMQD-SECBINFHSA-N	-2	3	393.377	2.129	50	5		GEBAHL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Br)c1[O-]	ZINC000013847651	207002508	/nfs/dbraw/zinc/00/25/08/207002508.db2.gz	MUIXXXNIBQFUNR-IHWYPQMZSA-N	-3	3	384.142	2.031	50	5		GEBAHL
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-]	ZINC000007990195	570468059	/nfs/dbraw/zinc/46/80/59/570468059.db2.gz	PLFLNLKZLDZSCT-GFCCVEGCSA-N	-2	3	386.332	2.367	50	5		GEBAHL
COCCOc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1OC	ZINC000024956117	570375853	/nfs/dbraw/zinc/37/58/53/570375853.db2.gz	BQBZIPSVNHNOMR-UHFFFAOYSA-N	-2	3	398.393	2.135	50	5		GEBAHL
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000001871319	570437739	/nfs/dbraw/zinc/43/77/39/570437739.db2.gz	KCOKHHAGIKJJBC-CQSZACIVSA-N	-2	3	389.389	2.050	50	5		GEBAHL
NC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000048331864	531729783	/nfs/dbraw/zinc/72/97/83/531729783.db2.gz	RJKSFQBNTNZQBS-UHFFFAOYSA-N	-2	3	386.773	2.245	50	5		GEBAHL
Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(Cl)cc([N+](=O)[O-])c3[O-])cc12	ZINC000095985514	211290696	/nfs/dbraw/zinc/29/06/96/211290696.db2.gz	GMMKWTQIJVCBFP-UHFFFAOYSA-N	-2	3	397.800	2.345	50	5		GEBAHL
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000001871315	570821801	/nfs/dbraw/zinc/82/18/01/570821801.db2.gz	KCOKHHAGIKJJBC-AWEZNQCLSA-N	-2	3	389.389	2.050	50	5		GEBAHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)[C@H](C)O2	ZINC000089575515	211181955	/nfs/dbraw/zinc/18/19/55/211181955.db2.gz	QDVIITQZSDCMQD-VIFPVBQESA-N	-2	3	393.377	2.129	50	5		GEBAHL
O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-]	ZINC000007990196	221022427	/nfs/dbraw/zinc/02/24/27/221022427.db2.gz	PLFLNLKZLDZSCT-LBPRGKRZSA-N	-2	3	386.332	2.367	50	5		GEBAHL
COC(=O)c1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(F)cc1F	ZINC000024428267	570825669	/nfs/dbraw/zinc/82/56/69/570825669.db2.gz	HIDREAAGWCSLEZ-UHFFFAOYSA-N	-2	3	388.304	2.166	50	5		GEBAHL
COc1cc(OC)c([N+](=O)[O-])cc1C(c1c(C)[n-][nH]c1=O)c1c(C)[n-][nH]c1=O	ZINC000049992054	222001812	/nfs/dbraw/zinc/00/18/12/222001812.db2.gz	TXDJKPGNKLJNCA-UHFFFAOYSA-N	-2	3	389.368	2.266	50	5		GEBAHL