smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc(S(=O)(=O)[N-]c2cc(Br)c([O-])c3ccccc23)cc1	ZINC000001212669	557244286	/nfs/dbraw/zinc/24/42/86/557244286.db2.gz	LMCLICSIGSVTCH-UHFFFAOYSA-N	-2	3	406.301	4.671	50	10		HJCAHL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1[O-]	ZINC000038170613	568974525	/nfs/dbraw/zinc/97/45/25/568974525.db2.gz	IHQDPRAKUJMXOF-MLPAPPSSSA-N	-2	3	421.236	4.604	50	10		HJCAHL
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/[N-]C(=O)N(c3cccc(Cl)c3)C2=O)o1	ZINC000008396441	557785893	/nfs/dbraw/zinc/78/58/93/557785893.db2.gz	DDHQZBSPQJJTFK-WOJGMQOQSA-N	-2	3	422.824	4.704	50	10		HJCAHL
O=S(=O)([N-]c1cc(Br)c([O-])c2ccccc12)c1ccc(Cl)cc1	ZINC000000851477	568712260	/nfs/dbraw/zinc/71/22/60/568712260.db2.gz	JZDPAQVHVBRUGI-UHFFFAOYSA-N	-2	3	412.692	4.762	50	10		HJCAHL
CCc1ccc2oc(-c3cc([N-]S(=O)(=O)c4ccc(C)cc4)ccc3[O-])nc2c1	ZINC000009421816	560758976	/nfs/dbraw/zinc/75/89/76/560758976.db2.gz	KSWNKUOBIGNZJI-UHFFFAOYSA-N	-2	3	408.479	4.872	50	10		HJCAHL
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000008430295	557788172	/nfs/dbraw/zinc/78/81/72/557788172.db2.gz	STKYVYSRLXHKKI-WOJGMQOQSA-N	-2	3	422.824	4.704	50	10		HJCAHL
Cc1cc2nc(-c3cc([N-]S(=O)(=O)c4ccccc4)cc(C)c3[O-])oc2cc1C	ZINC000012951083	558488115	/nfs/dbraw/zinc/48/81/15/558488115.db2.gz	UMAWYAJFIORIAE-UHFFFAOYSA-N	-2	3	408.479	4.926	50	10		HJCAHL
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000033347536	559065159	/nfs/dbraw/zinc/06/51/59/559065159.db2.gz	MXPCDYLLRWGCBS-WQRHYEAKSA-N	-2	3	422.824	4.704	50	10		HJCAHL
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\[N-]C(=O)N(c3cccc(Cl)c3)C2=O)o1	ZINC000033333175	559063231	/nfs/dbraw/zinc/06/32/31/559063231.db2.gz	DDHQZBSPQJJTFK-WQRHYEAKSA-N	-2	3	422.824	4.704	50	10		HJCAHL
Cc1cc([N-]S(=O)(=O)c2ccccc2)cc(-c2nc3cc(Cl)ccc3o2)c1[O-]	ZINC000009421807	560759002	/nfs/dbraw/zinc/75/90/02/560759002.db2.gz	VBHVFUWNOYTVOA-UHFFFAOYSA-N	-2	3	414.870	4.963	50	10		HJCAHL
O=C([O-])c1ccc([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000004450531	557555577	/nfs/dbraw/zinc/55/55/77/557555577.db2.gz	HUQNLMOVZHOLQY-IBGZPJMESA-N	-2	3	405.841	4.889	50	10		HJCAHL
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000033347534	559065230	/nfs/dbraw/zinc/06/52/30/559065230.db2.gz	STKYVYSRLXHKKI-WQRHYEAKSA-N	-2	3	422.824	4.704	50	10		HJCAHL
CC(C)n1[n-]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc(F)c(F)c1	ZINC000095477230	568630987	/nfs/dbraw/zinc/63/09/87/568630987.db2.gz	NLCSWSQUBSWXDS-UHFFFAOYSA-N	-2	3	411.364	4.974	50	10		HJCAHL
O=S(=O)([N-]c1cc(Cl)c([O-])c2ccccc12)c1ccc(Br)cc1	ZINC000001212666	558776034	/nfs/dbraw/zinc/77/60/34/558776034.db2.gz	PERAWXIKWPTRLN-UHFFFAOYSA-N	-2	3	412.692	4.762	50	10		HJCAHL
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000000665450	557045265	/nfs/dbraw/zinc/04/52/65/557045265.db2.gz	MXPCDYLLRWGCBS-WOJGMQOQSA-N	-2	3	422.824	4.704	50	10		HJCAHL
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/[N-]C(=O)N(c3cccc(Cl)c3)C2=O)o1	ZINC000003652633	557496780	/nfs/dbraw/zinc/49/67/80/557496780.db2.gz	UQMQTLWIOGHDEF-WOJGMQOQSA-N	-2	3	422.824	4.704	50	10		HJCAHL
O=C([O-])c1ccc([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000005049594	557630137	/nfs/dbraw/zinc/63/01/37/557630137.db2.gz	HUQNLMOVZHOLQY-LJQANCHMSA-N	-2	3	405.841	4.889	50	10		HJCAHL
O=S(=O)([N-]c1ccc([O-])c(Sc2nc3ccccc3s2)c1)c1ccccc1	ZINC000008396941	557786067	/nfs/dbraw/zinc/78/60/67/557786067.db2.gz	QNCXLJHWIBYWBM-UHFFFAOYSA-N	-2	3	414.533	4.954	50	10		HJCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c([O-])c3ccccc23)c(C)c1	ZINC000004149913	568946664	/nfs/dbraw/zinc/94/66/64/568946664.db2.gz	ODOCEOMMSRBXMV-UHFFFAOYSA-N	-2	3	406.301	4.726	50	10		HJCAHL
O=c1c(N=Nc2ccc([O-])cc2Cl)c(Nc2ccccc2)[n-]n1-c1ccccc1	ZINC000102151966	560808294	/nfs/dbraw/zinc/80/82/94/560808294.db2.gz	JFOBTTSYUUNDBN-WWDJGNSZSA-N	-2	3	405.845	4.970	50	10		HJCAHL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1[O-]	ZINC000034234768	568533644	/nfs/dbraw/zinc/53/36/44/568533644.db2.gz	VZOLOJKYZHNPFU-WDZFZDKYSA-N	-2	3	421.236	4.523	50	10		HJCAHL
O=S(=O)([N-]c1ccc([O-])c(-c2c(O)ccc3ccccc32)c1)c1ccc(F)cc1	ZINC000000781556	568475063	/nfs/dbraw/zinc/47/50/63/568475063.db2.gz	OGUSBLVIUYZNIL-UHFFFAOYSA-N	-2	3	409.438	4.858	50	10		HJCAHL
CC(C)n1[n-]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc(F)cc1F	ZINC000095478095	568631486	/nfs/dbraw/zinc/63/14/86/568631486.db2.gz	RZCPUMMVEADJRX-UHFFFAOYSA-N	-2	3	411.364	4.974	50	10		HJCAHL
O=c1c(N=Nc2ccc([O-])cc2Cl)c(Nc2ccccc2)[n-]n1-c1ccccc1	ZINC000038177930	568975171	/nfs/dbraw/zinc/97/51/71/568975171.db2.gz	JFOBTTSYUUNDBN-ZFZZVZNFSA-N	-2	3	405.845	4.970	50	10		HJCAHL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1[O-]	ZINC000038180873	568976427	/nfs/dbraw/zinc/97/64/27/568976427.db2.gz	ZZTGLCLOPSQQAH-ZSOIEALJSA-N	-2	3	414.845	4.568	50	10		HJCAHL