smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(Br)c(Br)c(C=C2SC(=S)[N-]C2=O)c1[O-]	ZINC000016194668	556589516	/nfs/dbraw/zinc/58/95/16/556589516.db2.gz	KHYSZMKBBNJCCY-FARCUNLSSA-N	-2	3	425.123	3.415	40	10		IGCBHL
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc([O-])c(Br)c2)C1=O	ZINC000409238288	557019819	/nfs/dbraw/zinc/01/98/19/557019819.db2.gz	WRQSKTBDMBBLLV-FMIVXFBMSA-N	-2	3	431.242	3.220	40	10		IGCBHL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Br)c3)C2=O)cc1	ZINC000408740510	556212556	/nfs/dbraw/zinc/21/25/56/556212556.db2.gz	LEYKLYNSRWBHCK-NTEUORMPSA-N	-2	3	431.242	3.220	40	10		IGCBHL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])c(OC)c3)C2=O)cc1	ZINC000408987362	556909816	/nfs/dbraw/zinc/90/98/16/556909816.db2.gz	OHMQWXBAEKPXPH-ZSOIEALJSA-N	-2	3	445.269	3.392	40	10		IGCBHL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1[O-]	ZINC000408934405	556895216	/nfs/dbraw/zinc/89/52/16/556895216.db2.gz	ALGZSMFMBBIBMG-NTUHNPAUSA-N	-2	3	431.788	3.019	40	10		IGCBHL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3[O-])C2=O)cc1	ZINC000408885854	556877938	/nfs/dbraw/zinc/87/79/38/556877938.db2.gz	FZDKXHNUJVIYIM-XNTDXEJSSA-N	-2	3	431.242	3.220	40	10		IGCBHL
CCOc1cccc(N2C(=O)/C(=C\c3cc(Cl)c([O-])c(OC)c3)C(=O)[N-]C2=S)c1	ZINC000016693227	556627933	/nfs/dbraw/zinc/62/79/33/556627933.db2.gz	IGJRLZQHZGJYBV-AUWJEWJLSA-N	-2	3	432.885	3.284	40	10		IGCBHL
Cc1cc(S(=O)(=O)[O-])ccc1NN=C1C=C(S(=O)(=O)[O-])c2cccc([O-])c2C1=O	ZINC000038188769	556612386	/nfs/dbraw/zinc/61/23/86/556612386.db2.gz	KDPMZCPWKPCERU-HNENSFHCSA-N	-3	3	438.439	3.468	40	10		IGCBHL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccncc1	ZINC000409188577	556988717	/nfs/dbraw/zinc/98/87/17/556988717.db2.gz	DUJFKEUBGZQFRT-XDHOZWIPSA-N	-2	3	446.488	3.019	40	10		IGCBHL
COc1cc(C=C2SC(=S)[N-]C2=O)c(Br)c(Br)c1[O-]	ZINC000013549656	557351040	/nfs/dbraw/zinc/35/10/40/557351040.db2.gz	BNELWBBQZRXBBD-UTCJRWHESA-N	-2	3	425.123	3.415	40	10		IGCBHL
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc([O-])c(I)c1	ZINC000038160874	569260200	/nfs/dbraw/zinc/26/02/00/569260200.db2.gz	SFCVBPFUEPLKLB-IZZDOVSWSA-N	-2	3	438.177	3.092	40	10		IGCBHL
O=S(=O)([N-]c1ccc([N-]S(=O)(=O)c2ccccc2)c(N2N=N2)c1)c1ccccc1	ZINC000001651890	555708256	/nfs/dbraw/zinc/70/82/56/555708256.db2.gz	RAXBFWWKTQKMQO-UHFFFAOYSA-N	-2	3	429.483	3.390	40	10		IGCBHL
CCOc1cccc(N2C(=O)/C(=C/c3ccc([O-])c(Br)c3)C(=O)[N-]C2=S)c1	ZINC000408744297	556225216	/nfs/dbraw/zinc/22/52/16/556225216.db2.gz	ZJDKULLMDBSULC-RIYZIHGNSA-N	-2	3	447.310	3.385	40	10		IGCBHL
Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc(-c4ccc5c(c4)C(=O)[N-]C5=O)o3)C2=O)cc1Cl	ZINC000001213135	557120314	/nfs/dbraw/zinc/12/03/14/557120314.db2.gz	BAMBZOKPMNUEFY-LICLKQGHSA-N	-2	3	447.834	3.253	40	10		IGCBHL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1[O-]	ZINC000408886738	556879326	/nfs/dbraw/zinc/87/93/26/556879326.db2.gz	IQRHEVFJNRQXNT-NTUHNPAUSA-N	-2	3	445.269	3.447	40	10		IGCBHL
CCOc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000027905666	569259218	/nfs/dbraw/zinc/25/92/18/569259218.db2.gz	RKHSPYBVXMIEJW-YBFXNURJSA-N	-2	3	440.477	3.469	40	10		IGCBHL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1[O-]	ZINC000408879627	556876168	/nfs/dbraw/zinc/87/61/68/556876168.db2.gz	FOULOGPAJHDEQR-NTUHNPAUSA-N	-2	3	445.269	3.447	40	10		IGCBHL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc(Br)c1[O-]	ZINC000409243538	557033497	/nfs/dbraw/zinc/03/34/97/557033497.db2.gz	SFRQNQAULHIIEG-KPKJPENVSA-N	-2	3	447.310	3.303	40	10		IGCBHL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(Br)c(Cl)c1[O-]	ZINC000408695142	556097193	/nfs/dbraw/zinc/09/71/93/556097193.db2.gz	QNQDIRUMOIDZKP-UXBLZVDNSA-N	-2	3	443.681	3.221	40	10		IGCBHL
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1[O-]	ZINC000016349472	556602070	/nfs/dbraw/zinc/60/20/70/556602070.db2.gz	YZNFFIKBLIQPDY-QPEQYQDCSA-N	-2	3	431.242	3.138	40	10		IGCBHL
Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccc2c(c1)C(=O)[N-]C2=O	ZINC000016160801	556586130	/nfs/dbraw/zinc/58/61/30/556586130.db2.gz	GGQWQJQCGZUIEW-SXGWCWSVSA-N	-2	3	425.242	3.051	40	10		IGCBHL
Cc1cc(S(=O)(=O)[O-])ccc1NN=C1C=C(S(=O)(=O)[O-])c2cccc([O-])c2C1=O	ZINC000006133712	556076735	/nfs/dbraw/zinc/07/67/35/556076735.db2.gz	KDPMZCPWKPCERU-VHEBQXMUSA-N	-3	3	438.439	3.468	40	10		IGCBHL