smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1	ZINC000408705824	570024819	/nfs/dbraw/zinc/02/48/19/570024819.db2.gz	ODYCZMYDXWGSFV-UHFFFAOYSA-N	-2	3	495.966	4.467	40	5		JIBBHL
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000409173763	570155982	/nfs/dbraw/zinc/15/59/82/570155982.db2.gz	RMWBDHJSSTTZSM-UHFFFAOYSA-N	-2	3	495.966	4.467	40	5		JIBBHL
CCCc1nc(SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C(=O)[O-])n[n-]1	ZINC000408630718	569982474	/nfs/dbraw/zinc/98/24/74/569982474.db2.gz	CFGBFCVQAZRZRP-UNOMPAQXSA-N	-2	3	470.507	4.471	40	5		JIBBHL
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1	ZINC000408908768	570071664	/nfs/dbraw/zinc/07/16/64/570071664.db2.gz	YOMPFXMYLDYVKR-UHFFFAOYSA-N	-2	3	475.548	4.122	40	5		JIBBHL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000408705248	570024540	/nfs/dbraw/zinc/02/45/40/570024540.db2.gz	AKPOQUTWJYHRPI-UHFFFAOYSA-N	-2	3	481.939	4.158	40	5		JIBBHL
CCc1nc(SC(=Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C(=O)[O-])n[n-]1	ZINC000408631113	569982675	/nfs/dbraw/zinc/98/26/75/569982675.db2.gz	FBOYVSCHVZZFCZ-ZDLGFXPLSA-N	-2	3	456.480	4.081	40	5		JIBBHL
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)c1	ZINC000408703077	570022969	/nfs/dbraw/zinc/02/29/69/570022969.db2.gz	MQMBRTBCLJYJAE-UHFFFAOYSA-N	-2	3	475.548	4.122	40	5		JIBBHL
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000408706134	570024988	/nfs/dbraw/zinc/02/49/88/570024988.db2.gz	VTNXCKAVWKHYID-UHFFFAOYSA-N	-2	3	495.966	4.467	40	5		JIBBHL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1	ZINC000408706200	570025087	/nfs/dbraw/zinc/02/50/87/570025087.db2.gz	XBCSEVRMPNUCIV-UHFFFAOYSA-N	-2	3	475.548	4.122	40	5		JIBBHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)cc1Cl	ZINC000038756076	569807277	/nfs/dbraw/zinc/80/72/77/569807277.db2.gz	ZZIVJGPMJBYBJF-UHFFFAOYSA-N	-2	3	495.966	4.299	40	5		JIBBHL
CCc1nc(SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C(=O)[O-])n[n-]1	ZINC000408631117	569982724	/nfs/dbraw/zinc/98/27/24/569982724.db2.gz	FCBKQWQOIRRXIZ-WQRHYEAKSA-N	-2	3	456.480	4.081	40	5		JIBBHL
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000108093732	569858584	/nfs/dbraw/zinc/85/85/84/569858584.db2.gz	SXBKBOJMHLOBOX-UHFFFAOYSA-N	-2	3	481.939	4.158	40	5		JIBBHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1C	ZINC000408906551	570070871	/nfs/dbraw/zinc/07/08/71/570070871.db2.gz	HEBFHCOLHLPQGH-UHFFFAOYSA-N	-2	3	475.548	4.122	40	5		JIBBHL
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000022521706	524756882	/nfs/dbraw/zinc/75/68/82/524756882.db2.gz	KUZIVKPTEMXHBE-UHFFFAOYSA-N	-2	3	495.966	4.299	40	5		JIBBHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1[N+](=O)[O-]	ZINC000016124696	556126883	/nfs/dbraw/zinc/12/68/83/556126883.db2.gz	ITXGBVQGJITQFR-UHFFFAOYSA-N	-2	3	481.939	4.158	40	5		JIBBHL
Cc1[n-][nH]c(=O)c1C(c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1c(C)[n-][nH]c1=O	ZINC000409084811	570122806	/nfs/dbraw/zinc/12/28/06/570122806.db2.gz	WDVZZQLDECJRNG-UHFFFAOYSA-N	-2	3	474.271	4.272	40	5		JIBBHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1Cl	ZINC000107972523	569858175	/nfs/dbraw/zinc/85/81/75/569858175.db2.gz	WXNBQIAGWASYQV-UHFFFAOYSA-N	-2	3	481.939	4.158	40	5		JIBBHL
O=c1nc(C=Cc2cc(Br)ccc2OCc2ccccc2F)c([N+](=O)[O-])c([O-])[n-]1	ZINC000409324332	570201812	/nfs/dbraw/zinc/20/18/12/570201812.db2.gz	SBVPIUSCHNWRFZ-FNORWQNLSA-N	-2	3	462.231	4.447	40	5		JIBBHL
O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c1	ZINC000020452356	527388641	/nfs/dbraw/zinc/38/86/41/527388641.db2.gz	UDVATGOMQVZXLV-UHFFFAOYSA-N	-2	3	497.554	4.491	40	5		JIBBHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cc1Cl	ZINC000408705386	570024545	/nfs/dbraw/zinc/02/45/45/570024545.db2.gz	DODHCXQZURCIFH-UHFFFAOYSA-N	-2	3	495.966	4.467	40	5		JIBBHL
O=c1[n-]c(-c2cc(I)c([O-])c([N+](=O)[O-])c2)nc2sc3c(c21)CCCC3	ZINC000408734114	570029841	/nfs/dbraw/zinc/02/98/41/570029841.db2.gz	DDALPBIPCMPXIQ-UHFFFAOYSA-N	-2	3	469.260	4.161	40	5		JIBBHL
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000020110234	555646217	/nfs/dbraw/zinc/64/62/17/555646217.db2.gz	VQJZLZHTOUCQSF-UHFFFAOYSA-N	-2	3	495.966	4.299	40	5		JIBBHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cc1C	ZINC000014396787	555802516	/nfs/dbraw/zinc/80/25/16/555802516.db2.gz	JPNRHARRYRGBEW-UHFFFAOYSA-N	-2	3	475.548	4.122	40	5		JIBBHL
CCOc1cc(C=C(Sc2n[n-]c(CC)n2)C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408631201	569982838	/nfs/dbraw/zinc/98/28/38/569982838.db2.gz	GBCVALAJCJAFNM-UNOMPAQXSA-N	-2	3	470.507	4.471	40	5		JIBBHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)c(C)c1	ZINC000014397311	555802929	/nfs/dbraw/zinc/80/29/29/555802929.db2.gz	MBTIEAGIHWMAKK-UHFFFAOYSA-N	-2	3	475.548	4.122	40	5		JIBBHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(C)c1	ZINC000408921066	570077257	/nfs/dbraw/zinc/07/72/57/570077257.db2.gz	CJKCCCNXJIXQIH-UHFFFAOYSA-N	-2	3	475.548	4.122	40	5		JIBBHL
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000033728591	569632234	/nfs/dbraw/zinc/63/22/34/569632234.db2.gz	NTXWXBABFSTSGK-UHFFFAOYSA-N	-2	3	481.939	4.158	40	5		JIBBHL
CCCc1nc(SC(=Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C(=O)[O-])n[n-]1	ZINC000408631433	569983002	/nfs/dbraw/zinc/98/30/02/569983002.db2.gz	IUTBGPDZVGWWNC-ODLFYWEKSA-N	-2	3	470.507	4.471	40	5		JIBBHL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1	ZINC000014401760	555806842	/nfs/dbraw/zinc/80/68/42/555806842.db2.gz	UGEWINXLCOCYCJ-UHFFFAOYSA-N	-2	3	481.939	4.158	40	5		JIBBHL
Cc1c(Cl)cccc1-n1c([O-])c2n(-c3ccc([N+](=O)[O-])cc3)[n-]c(C(=O)c3ccccc3)c-2c1=O	ZINC000103769205	569837935	/nfs/dbraw/zinc/83/79/35/569837935.db2.gz	LKQQYCUEDOYGCC-UNMCSNQZSA-N	-2	3	488.887	4.174	40	5		JIBBHL