smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCOc1ccc2ccccc2c1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000009234910	204358994	/nfs/dbraw/zinc/35/89/94/204358994.db2.gz	OITHJYAUWKMIBQ-CSKARUKUSA-N	-2	0	367.361	3.496	50	5		FGBARL
Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cccc1[N+](=O)[O-]	ZINC000012526247	206291610	/nfs/dbraw/zinc/29/16/10/206291610.db2.gz	VGZNEIFGGVEKGA-UHFFFAOYSA-N	-2	0	370.770	3.056	50	5		FGBARL
CC(C)Oc1ccc2ccccc2c1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000017113201	494408540	/nfs/dbraw/zinc/40/85/40/494408540.db2.gz	KLGSMNZABWJPPJ-CSKARUKUSA-N	-2	0	367.361	3.495	50	5		FGBARL
Cn1c2ccccc2c([O-])c(Sc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1=O	ZINC000103856108	222344835	/nfs/dbraw/zinc/34/48/35/222344835.db2.gz	WLPMSQXUOVPASW-UHFFFAOYSA-N	-2	0	372.358	3.002	50	5		FGBARL
CCOc1ccc2ccccc2c1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000017112417	207611014	/nfs/dbraw/zinc/61/10/14/207611014.db2.gz	RFSDUUHLXYIOBJ-CSKARUKUSA-N	-2	0	353.334	3.106	50	5		FGBARL
O=c1[n-]c(C=Cc2cccc(Oc3ccccc3)c2)nc([O-])c1[N+](=O)[O-]	ZINC000016362160	207583798	/nfs/dbraw/zinc/58/37/98/207583798.db2.gz	RPCDQFZZCZFJQB-KTKRTIGZSA-N	-2	0	351.318	3.346	50	5		FGBARL
CC(=O)c1ccc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)o2)cc1	ZINC000009234814	207262736	/nfs/dbraw/zinc/26/27/36/207262736.db2.gz	MKLNNGDKCVQPCC-VQHVLOKHSA-N	-2	0	367.317	3.017	50	5		FGBARL
O=c1[n-]c(C=Cc2ccc(-c3ccc(Cl)cc3)o2)nc([O-])c1[N+](=O)[O-]	ZINC000009010350	207254713	/nfs/dbraw/zinc/25/47/13/207254713.db2.gz	PQVDDSFKRIBWRW-VURMDHGXSA-N	-2	0	359.725	3.468	50	5		FGBARL
C[C@]1(C(=O)[O-])CCC[C@]2(C)c3c(cc([N+](=O)[O-])c([O-])c3[N+](=O)[O-])CC[C@@H]12	ZINC000004127820	493866614	/nfs/dbraw/zinc/86/66/14/493866614.db2.gz	RGOCASRSMHRDBV-NVGVWMPQSA-N	-2	0	364.354	3.304	50	5		FGBARL
C[C@@]12CCC[C@](C)(C(=O)[O-])[C@H]1CCc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c12	ZINC000017185256	211181255	/nfs/dbraw/zinc/18/12/55/211181255.db2.gz	RGOCASRSMHRDBV-JECHBYEQSA-N	-2	0	364.354	3.304	50	5		FGBARL
O=C([O-])c1ccc(/C=C/c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000071773456	221374049	/nfs/dbraw/zinc/37/40/49/221374049.db2.gz	LSIRFWJQXQJPKC-OWOJBTEDSA-N	-2	0	358.262	3.070	50	5		FGBARL
C[C@@]12CCC[C@](C)(C(=O)[O-])[C@@H]1CCc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c12	ZINC000004127819	493866520	/nfs/dbraw/zinc/86/65/20/493866520.db2.gz	RGOCASRSMHRDBV-LQAWEQHXSA-N	-2	0	364.354	3.304	50	5		FGBARL
Nc1cc(C(=O)[O-])c(-c2c3ccc([O-])cc3oc3cc(=O)ccc2-3)cc1N	ZINC000025762071	494775127	/nfs/dbraw/zinc/77/51/27/494775127.db2.gz	QRQZMEZFMWOVFR-UHFFFAOYSA-N	-2	0	362.341	3.133	50	5		FGBARL
Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(Nc2ccccc2C(=O)[O-])c1[N+](=O)[O-]	ZINC000100747085	209217384	/nfs/dbraw/zinc/21/73/84/209217384.db2.gz	QAKHHWHTNOLSMR-UHFFFAOYSA-N	-2	0	362.254	3.161	50	5		FGBARL
O=C([O-])c1cc([N+](=O)[O-])ccc1Sc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000003138592	493831156	/nfs/dbraw/zinc/83/11/56/493831156.db2.gz	TTYXCNKGBOJHKW-UHFFFAOYSA-N	-2	0	364.291	3.051	50	5		FGBARL
O=C([O-])c1ccccc1Sc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003138591	210452119	/nfs/dbraw/zinc/45/21/19/210452119.db2.gz	AMGHZKUFHFQZSD-UHFFFAOYSA-N	-2	0	364.291	3.051	50	5		FGBARL
O=c1[n-]c(C=Cc2ccccc2OCc2ccccc2)nc([O-])c1[N+](=O)[O-]	ZINC000009295551	494119226	/nfs/dbraw/zinc/11/92/26/494119226.db2.gz	MWTXKGXHLAWVEU-ZHACJKMWSA-N	-2	0	365.345	3.133	50	5		FGBARL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-]	ZINC000023818508	210237215	/nfs/dbraw/zinc/23/72/15/210237215.db2.gz	PVSSQCYWJDXMEJ-UHFFFAOYSA-N	-2	0	370.770	3.056	50	5		FGBARL
Cc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(C(=O)[O-])c1	ZINC000065549203	221232222	/nfs/dbraw/zinc/23/22/22/221232222.db2.gz	PVZCHBZYDIYUSR-UHFFFAOYSA-N	-2	0	364.379	3.019	50	5		FGBARL
C[C@]1(C(=O)[O-])CCC[C@]2(C)c3c(cc([N+](=O)[O-])c([O-])c3[N+](=O)[O-])CC[C@H]12	ZINC000017185251	211181010	/nfs/dbraw/zinc/18/10/10/211181010.db2.gz	RGOCASRSMHRDBV-GOPGUHFVSA-N	-2	0	364.354	3.304	50	5		FGBARL
CC(=O)c1ccc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)o2)cc1	ZINC000012380170	494228044	/nfs/dbraw/zinc/22/80/44/494228044.db2.gz	MKLNNGDKCVQPCC-CLFYSBASSA-N	-2	0	367.317	3.017	50	5		FGBARL
O=C([O-])CCCn1c(=O)c2sc3ccc([N+](=O)[O-])cc3c2[n-]c1=S	ZINC000002961761	493827177	/nfs/dbraw/zinc/82/71/77/493827177.db2.gz	UODKOQADTYDFQN-UHFFFAOYSA-N	-2	0	365.392	3.047	50	5		FGBARL
C[C@@]1(C(=O)[O-])CCC[C@@]2(C)c3c(cc([N+](=O)[O-])c([O-])c3[N+](=O)[O-])CC[C@@H]12	ZINC000004127817	493866317	/nfs/dbraw/zinc/86/63/17/493866317.db2.gz	RGOCASRSMHRDBV-SSKCKEOISA-N	-2	0	364.354	3.304	50	5		FGBARL
C[C@@]1(C(=O)[O-])CCC[C@]2(C)c3c(cc([N+](=O)[O-])c([O-])c3[N+](=O)[O-])CC[C@@H]12	ZINC000004127818	493866309	/nfs/dbraw/zinc/86/63/09/493866309.db2.gz	RGOCASRSMHRDBV-ZTFRIQLXSA-N	-2	0	364.354	3.304	50	5		FGBARL