smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=S)SC1=Cc1ccc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)o1	ZINC000008781234	132333398	/nfs/dbraw/zinc/33/33/98/132333398.db2.gz	MOTAQJYAJPBPIU-YBEGLDIGSA-N	-1	1	417.468	4.021	40	5		HIBBMM
Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1	ZINC000021141875	568670669	/nfs/dbraw/zinc/67/06/69/568670669.db2.gz	SIIRUFJPQQOFDD-UHFFFAOYSA-N	-1	1	408.439	4.247	40	5		HIBBMM
COc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000409271252	560705119	/nfs/dbraw/zinc/70/51/19/560705119.db2.gz	SYDUNIWKQSVRSG-UHFFFAOYSA-N	-1	1	417.377	4.138	40	5		HIBBMM
O=c1[nH]c(C=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)nc([O-])c1[N+](=O)[O-]	ZINC000409349700	559248008	/nfs/dbraw/zinc/24/80/08/559248008.db2.gz	VVVAEYYGTOSESO-JXMROGBWSA-N	-1	1	406.373	4.109	40	5		HIBBMM
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000009903529	569394352	/nfs/dbraw/zinc/39/43/52/569394352.db2.gz	NBQNLNGAWLCMLO-NTEUORMPSA-N	-1	1	423.450	4.048	40	5		HIBBMM
COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000409332861	560710531	/nfs/dbraw/zinc/71/05/31/560710531.db2.gz	SFXYLDBRXWTJJY-DJWKRKHSSA-N	-1	1	423.469	4.443	40	5		HIBBMM
O=c1[nH]c(C=Cc2c(OCc3ccccc3)ccc3ccccc32)nc([O-])c1[N+](=O)[O-]	ZINC000098031137	559022886	/nfs/dbraw/zinc/02/28/86/559022886.db2.gz	XYNCEWFOVJFINX-QBFSEMIESA-N	-1	1	415.405	4.286	40	5		HIBBMM
O=C([O-])/C(=C/c1cc([N+](=O)[O-])ccc1O)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408631738	559222366	/nfs/dbraw/zinc/22/23/66/559222366.db2.gz	BJOQSXGKBITPBS-ZSOIEALJSA-N	-1	1	419.802	4.222	40	5		HIBBMM
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000009903423	569394333	/nfs/dbraw/zinc/39/43/33/569394333.db2.gz	BYKVGTBHTRKQJT-OVCLIPMQSA-N	-1	1	423.450	4.048	40	5		HIBBMM
Cc1n[nH]c(SC(=Cc2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)C(=O)[O-])n1	ZINC000409189590	560690976	/nfs/dbraw/zinc/69/09/76/560690976.db2.gz	RAXBHBMJQZVEBP-MHWRWJLKSA-N	-1	1	414.468	4.390	40	5		HIBBMM
Cc1nc(SC(=Cc2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1	ZINC000409189590	560690978	/nfs/dbraw/zinc/69/09/78/560690978.db2.gz	RAXBHBMJQZVEBP-MHWRWJLKSA-N	-1	1	414.468	4.390	40	5		HIBBMM
COc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000409267869	559246720	/nfs/dbraw/zinc/24/67/20/559246720.db2.gz	PJUDWSOVYGFNPU-UHFFFAOYSA-N	-1	1	417.377	4.138	40	5		HIBBMM
O=C([O-])c1ccc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)o1	ZINC000226353751	559273590	/nfs/dbraw/zinc/27/35/90/559273590.db2.gz	BNLBELYRQWZPIB-UHFFFAOYSA-N	-1	1	422.802	4.007	40	5		HIBBMM
Cc1n[nH]c(SC(=Cc2cc([N+](=O)[O-])ccc2Sc2ccccc2)C(=O)[O-])n1	ZINC000409192479	560689645	/nfs/dbraw/zinc/68/96/45/560689645.db2.gz	XSXBETFAWZWZFV-MHWRWJLKSA-N	-1	1	414.468	4.390	40	5		HIBBMM
Cc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2Sc2ccccc2)C(=O)[O-])n[nH]1	ZINC000409192479	560689646	/nfs/dbraw/zinc/68/96/46/560689646.db2.gz	XSXBETFAWZWZFV-MHWRWJLKSA-N	-1	1	414.468	4.390	40	5		HIBBMM
Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)[nH]c2c1	ZINC000008833564	569390519	/nfs/dbraw/zinc/39/05/19/569390519.db2.gz	YAOIDJKLBYWSEY-UHFFFAOYSA-N	-1	1	408.439	4.247	40	5		HIBBMM
O=c1[nH]c(C=Cc2ccc(OCc3c(F)cccc3Cl)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000408598789	559220183	/nfs/dbraw/zinc/22/01/83/559220183.db2.gz	BFWAZTWKSLJUFS-RMKNXTFCSA-N	-1	1	417.780	4.338	40	5		HIBBMM
Cc1cc(Cl)c([O-])c(-c2cc(-c3ccc([N+](=O)[O-])cc3)c3c(N)[nH]c(=O)nc3n2)c1	ZINC000104312004	560850536	/nfs/dbraw/zinc/85/05/36/560850536.db2.gz	HGWZVILRAKCDRS-UHFFFAOYSA-N	-1	1	423.816	4.222	40	5		HIBBMM
CSc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1NC(=O)C(C)C	ZINC000225822145	568782371	/nfs/dbraw/zinc/78/23/71/568782371.db2.gz	ZFUPYZAUBUCDBO-UHFFFAOYSA-N	-1	1	423.516	4.020	40	5		HIBBMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCc3ccccc3)c2)cc1[N+](=O)[O-]	ZINC000223644361	569030716	/nfs/dbraw/zinc/03/07/16/569030716.db2.gz	YDDOSFBJPGPQMR-UHFFFAOYSA-N	-1	1	412.467	4.326	40	5		HIBBMM
CSc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1NC(=O)C(C)C	ZINC000225678465	568727496	/nfs/dbraw/zinc/72/74/96/568727496.db2.gz	POGZDCDSTCEEBL-UHFFFAOYSA-N	-1	1	423.516	4.020	40	5		HIBBMM
O=C([O-])c1ccc(-c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2Cl)o1	ZINC000226353930	568806934	/nfs/dbraw/zinc/80/69/34/568806934.db2.gz	NNXLJEHOXVDPQP-UHFFFAOYSA-N	-1	1	422.802	4.007	40	5		HIBBMM
Cc1c(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c2ccccc2n1Cc1ccccc1F	ZINC000409349774	559248084	/nfs/dbraw/zinc/24/80/84/559248084.db2.gz	WFSCQFOETNTHJS-ZHACJKMWSA-N	-1	1	420.400	4.417	40	5		HIBBMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000026680990	569052565	/nfs/dbraw/zinc/05/25/65/569052565.db2.gz	HUZKOXWCXPIQQX-NVNXTCNLSA-N	-1	1	416.436	4.152	40	5		HIBBMM