smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC(C[N-]C(=O)C(F)(F)F)C1	ZINC001471427763	1069435869	/nfs/dbraw/zinc/43/58/69/1069435869.db2.gz	PQOAFSQQDDMKFI-UHFFFAOYSA-N	-1	1	438.384	0.400	20	5		ICBDMM
CS(=O)(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1	ZINC001475453817	1069751400	/nfs/dbraw/zinc/75/14/00/1069751400.db2.gz	VTWZKVXDSBBOEO-SSDOTTSWSA-N	-1	1	446.276	0.809	20	5		ICBDMM
CS(=O)(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1	ZINC001475453818	1069751175	/nfs/dbraw/zinc/75/11/75/1069751175.db2.gz	VTWZKVXDSBBOEO-ZETCQYMHSA-N	-1	1	446.276	0.809	20	5		ICBDMM
CNS(=O)(=O)CCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC001475560422	1069776723	/nfs/dbraw/zinc/77/67/23/1069776723.db2.gz	PBEHHDIPWRNVOG-UHFFFAOYSA-N	-1	1	434.265	0.714	20	5		ICBDMM
O=C1COC[C@]2(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)COCCN12	ZINC001475593264	1069784812	/nfs/dbraw/zinc/78/48/12/1069784812.db2.gz	HYJXYXUPHLQNCO-AWEZNQCLSA-N	-1	1	440.261	0.808	20	5		ICBDMM
O=C1COC[C@@]2(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)COCCN12	ZINC001475593276	1069784906	/nfs/dbraw/zinc/78/49/06/1069784906.db2.gz	HYJXYXUPHLQNCO-CQSZACIVSA-N	-1	1	440.261	0.808	20	5		ICBDMM
O=C1OC[C@@]2(C[N-]S(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])COCCN12	ZINC001475601740	1069787011	/nfs/dbraw/zinc/78/70/11/1069787011.db2.gz	ZUXAQWKNXXGMLI-CYBMUJFWSA-N	-1	1	436.240	0.857	20	5		ICBDMM
O=C1OC[C@]2(C[N-]S(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])COCCN12	ZINC001475601741	1069786878	/nfs/dbraw/zinc/78/68/78/1069786878.db2.gz	ZUXAQWKNXXGMLI-ZDUSSCGKSA-N	-1	1	436.240	0.857	20	5		ICBDMM
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1	ZINC001540124233	1071626018	/nfs/dbraw/zinc/62/60/18/1071626018.db2.gz	MYMCQBZKXSRXHZ-CJNGLKHVSA-N	-1	1	446.382	0.831	20	5		ICBDMM
CN(C)S(=O)(=O)N1CC([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1	ZINC001561802284	1073376068	/nfs/dbraw/zinc/37/60/68/1073376068.db2.gz	ROZYEVSNYBNQDU-UHFFFAOYSA-N	-1	1	433.295	0.671	20	5		ICBDMM
CN1CCN(C(=O)C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CC1	ZINC001561925011	1073399256	/nfs/dbraw/zinc/39/92/56/1073399256.db2.gz	RONBEUOVFBPFHE-UHFFFAOYSA-N	-1	1	439.263	0.549	20	5		ICBDMM
CN(CC(=O)N1CCOC[C@@H]1c1nn[n-]n1)c1cc(Br)ccc1[N+](=O)[O-]	ZINC001586806312	1072233881	/nfs/dbraw/zinc/23/38/81/1072233881.db2.gz	SVNQKYPMNDPIGM-GFCCVEGCSA-N	-1	1	426.231	0.907	20	5		ICBDMM
CN(CC(=O)N1CCOC[C@H]1c1nn[n-]n1)c1cc(Br)ccc1[N+](=O)[O-]	ZINC001586806313	1072233989	/nfs/dbraw/zinc/23/39/89/1072233989.db2.gz	SVNQKYPMNDPIGM-LBPRGKRZSA-N	-1	1	426.231	0.907	20	5		ICBDMM
O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC(C[N-]C(=O)C(F)(F)F)C1	ZINC001588127068	1072319812	/nfs/dbraw/zinc/31/98/12/1072319812.db2.gz	ZFLXOMOQXZAWKZ-UHFFFAOYSA-N	-1	1	438.384	0.400	20	5		ICBDMM