smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1OCC	ZINC000007360570	919119478	/nfs/dbraw/zinc/11/94/78/919119478.db2.gz	JPWPWLZEBRRQKL-UHFFFAOYSA-N	-1	1	380.422	3.501	40	5		GHBBMM
COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000113833799	533472457	/nfs/dbraw/zinc/47/24/57/533472457.db2.gz	WKSPXACOWUBNAS-CXUHLZMHSA-N	-1	1	386.385	3.506	40	5		GHBBMM
COc1ccc(NN=c2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)[n-]2)cc1	ZINC000005394131	204130470	/nfs/dbraw/zinc/13/04/70/204130470.db2.gz	TWPYEVQMYLWXOQ-UHFFFAOYSA-N	-1	1	380.408	3.909	40	5		GHBBMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1	ZINC000016127586	570317321	/nfs/dbraw/zinc/31/73/21/570317321.db2.gz	STKHUVAUOLNXRT-UHFFFAOYSA-N	-1	1	376.312	3.603	40	5		GHBBMM
O=c1[nH]c(C=Cc2ccc(OCc3ccc(F)cc3)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000409347381	231193978	/nfs/dbraw/zinc/19/39/78/231193978.db2.gz	PUTUDPATCBTDOV-BJMVGYQFSA-N	-1	1	383.335	3.685	40	5		GHBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000006270451	570352448	/nfs/dbraw/zinc/35/24/48/570352448.db2.gz	YPXQXXGYFOUMPC-UHFFFAOYSA-N	-1	1	397.412	3.648	40	5		GHBBMM
Cc1cccc(COc2ccccc2C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c1	ZINC000409332269	231190693	/nfs/dbraw/zinc/19/06/93/231190693.db2.gz	QBQMQMYIJYCIDO-KTKRTIGZSA-N	-1	1	379.372	3.854	40	5		GHBBMM
O=c1[nH]c(C=Cc2ccccc2OCc2ccc(F)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000409348279	231193953	/nfs/dbraw/zinc/19/39/53/231193953.db2.gz	RWNNXAGBPXLTQQ-JXMROGBWSA-N	-1	1	383.335	3.685	40	5		GHBBMM
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000005184772	570495451	/nfs/dbraw/zinc/49/54/51/570495451.db2.gz	CQNZATFWOGJWID-UHFFFAOYSA-N	-1	1	397.412	3.648	40	5		GHBBMM
COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCc1ccccc1[N+](=O)[O-]	ZINC000013549718	570654716	/nfs/dbraw/zinc/65/47/16/570654716.db2.gz	QCFCOWMWNMFLQQ-SXGWCWSVSA-N	-1	1	386.385	3.506	40	5		GHBBMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cc1	ZINC000224959066	206032627	/nfs/dbraw/zinc/03/26/27/206032627.db2.gz	DOKVRZRECOZCEE-UHFFFAOYSA-N	-1	1	375.450	3.694	40	5		GHBBMM
Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cccc1[N+](=O)[O-]	ZINC000223663332	206003813	/nfs/dbraw/zinc/00/38/13/206003813.db2.gz	YRVJJUSZWADRRI-UHFFFAOYSA-N	-1	1	376.434	3.808	40	5		GHBBMM
O=C([N-]C(=O)C(Cl)(Cl)Cl)Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1	ZINC000006828737	570496315	/nfs/dbraw/zinc/49/63/15/570496315.db2.gz	BKTSMYLTCVHMBF-UHFFFAOYSA-N	-1	1	394.520	3.632	40	5		GHBBMM
O=c1[nH]c(C=Cc2ccc(OCc3ccccc3F)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000409335115	231192009	/nfs/dbraw/zinc/19/20/09/231192009.db2.gz	YVXLLDRXJDDMND-YFHOEESVSA-N	-1	1	383.335	3.685	40	5		GHBBMM
O=c1[nH]c(C=Cc2cccc(OCc3ccccc3F)c2)nc([O-])c1[N+](=O)[O-]	ZINC000409340348	231192638	/nfs/dbraw/zinc/19/26/38/231192638.db2.gz	VQUJYICADCMDOE-HJWRWDBZSA-N	-1	1	383.335	3.685	40	5		GHBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-]	ZINC000006316373	570476854	/nfs/dbraw/zinc/47/68/54/570476854.db2.gz	IPWDBCPDRVTNND-UHFFFAOYSA-N	-1	1	376.312	3.603	40	5		GHBBMM
CC(C)OC(=O)c1ccc2nc([N-]C(=O)c3ccc([N+](=O)[O-])o3)sc2c1	ZINC000020411793	860566386	/nfs/dbraw/zinc/56/63/86/860566386.db2.gz	RHRXFIDMQQOWRX-UHFFFAOYSA-N	-1	1	375.362	3.615	40	5		GHBBMM
O=c1[nH]c(C=Cc2cccc(OCc3ccc(Cl)cc3)c2)nc([O-])c1[N+](=O)[O-]	ZINC000009234768	857570373	/nfs/dbraw/zinc/57/03/73/857570373.db2.gz	YKRRCSOQGXOKKP-RMKNXTFCSA-N	-1	1	399.790	3.787	40	5		GHBBMM
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000005184646	570495415	/nfs/dbraw/zinc/49/54/15/570495415.db2.gz	ZFIHHDCAKAWZOV-UHFFFAOYSA-N	-1	1	397.412	3.648	40	5		GHBBMM
O=c1[nH]c(C=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)nc([O-])c1[N+](=O)[O-]	ZINC000009234829	850967224	/nfs/dbraw/zinc/96/72/24/850967224.db2.gz	XHZJVJCNSYSOOK-FNORWQNLSA-N	-1	1	393.277	3.833	40	5		GHBBMM
COc1ccc(C=C2SC(=O)[N-]C2=O)cc1OCc1ccc([N+](=O)[O-])cc1	ZINC000001100285	570753361	/nfs/dbraw/zinc/75/33/61/570753361.db2.gz	FIRQNQIDOJIHHX-CXUHLZMHSA-N	-1	1	386.385	3.506	40	5		GHBBMM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl	ZINC000022259071	207251007	/nfs/dbraw/zinc/25/10/07/207251007.db2.gz	XJJWWKSIUZDAJU-UHFFFAOYSA-N	-1	1	377.205	3.711	40	5		GHBBMM
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000000805467	570342124	/nfs/dbraw/zinc/34/21/24/570342124.db2.gz	DHNHJAZXJACAIW-UHFFFAOYSA-N	-1	1	397.412	3.648	40	5		GHBBMM
Cc1nnc(SC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3C)o2)C(=O)[O-])[nH]1	ZINC000008490647	898553910	/nfs/dbraw/zinc/55/39/10/898553910.db2.gz	MLGSZLJNUAECJK-NVNXTCNLSA-N	-1	1	386.389	3.808	40	5		GHBBMM
Cc1nc(SC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3C)o2)C(=O)[O-])n[nH]1	ZINC000008490647	898553916	/nfs/dbraw/zinc/55/39/16/898553916.db2.gz	MLGSZLJNUAECJK-NVNXTCNLSA-N	-1	1	386.389	3.808	40	5		GHBBMM
Cc1cccc(COc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[nH]3)cc2)c1	ZINC000409338598	231191421	/nfs/dbraw/zinc/19/14/21/231191421.db2.gz	MTFPCONJVRSABU-YFHOEESVSA-N	-1	1	379.372	3.854	40	5		GHBBMM
CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl	ZINC000044945975	570984073	/nfs/dbraw/zinc/98/40/73/570984073.db2.gz	ICEODJSJVSKOIU-UHFFFAOYSA-N	-1	1	398.824	3.534	40	5		GHBBMM
O=C1[N-]C(=O)C(=Cc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])S1	ZINC000059514581	862925331	/nfs/dbraw/zinc/92/53/31/862925331.db2.gz	WXIQGPQRWSVFHU-VGOFMYFVSA-N	-1	1	387.329	3.619	40	5		GHBBMM
Cc1cc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[nH]3)o2)c([N+](=O)[O-])cc1C	ZINC000409338261	231192120	/nfs/dbraw/zinc/19/21/20/231192120.db2.gz	GUUNRUAKVABYLJ-GQCTYLIASA-N	-1	1	398.331	3.751	40	5		GHBBMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2	ZINC000223663192	570323378	/nfs/dbraw/zinc/32/33/78/570323378.db2.gz	ZFSZRIZKJBCAIC-UHFFFAOYSA-N	-1	1	376.434	3.808	40	5		GHBBMM
CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1OCC	ZINC000007361137	570423617	/nfs/dbraw/zinc/42/36/17/570423617.db2.gz	FAEVNLKUASQXHS-UHFFFAOYSA-N	-1	1	380.422	3.501	40	5		GHBBMM
Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1Br	ZINC000007363449	570758251	/nfs/dbraw/zinc/75/82/51/570758251.db2.gz	PZVAQFUDPLOPEJ-UHFFFAOYSA-N	-1	1	385.239	3.775	40	5		GHBBMM
Cc1cc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[nH]3)o2)cc([N+](=O)[O-])c1C	ZINC000409338944	231192163	/nfs/dbraw/zinc/19/21/63/231192163.db2.gz	QZERJGRYSUAYJW-XQRVVYSFSA-N	-1	1	398.331	3.751	40	5		GHBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-]	ZINC000192706009	570493350	/nfs/dbraw/zinc/49/33/50/570493350.db2.gz	VDSCJQUFWSVVIJ-UHFFFAOYSA-N	-1	1	383.429	3.690	40	5		GHBBMM
O=c1[nH]c(C=Cc2cccc(OCc3ccc(F)cc3)c2)nc([O-])c1[N+](=O)[O-]	ZINC000409352042	231194495	/nfs/dbraw/zinc/19/44/95/231194495.db2.gz	VVVCYUWMOJUODD-TWGQIWQCSA-N	-1	1	383.335	3.685	40	5		GHBBMM
CCCCOc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1OCC	ZINC000409345665	528657403	/nfs/dbraw/zinc/65/74/03/528657403.db2.gz	ISNNWHUODLYARS-VQHVLOKHSA-N	-1	1	375.381	3.544	40	5		GHBBMM