smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1ccc(Cn2nnc3c2nc(C2CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC2)[n-]c3=O)cc1	ZINC000001324730	551642565	/nfs/dbraw/zinc/64/25/65/551642565.db2.gz	DEQKVXYZUKKSGC-UHFFFAOYSA-N	-1	3	515.574	3.788	40	5		KHBBHM
CC(C)(C)c1ccc(Cn2nnc3c2nc(C2CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC2)[n-]c3=O)cc1	ZINC000001324732	551642488	/nfs/dbraw/zinc/64/24/88/551642488.db2.gz	GAUPETXRXCJIAB-UHFFFAOYSA-N	-1	3	515.574	3.788	40	5		KHBBHM
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)CC1	ZINC000001325000	551642494	/nfs/dbraw/zinc/64/24/94/551642494.db2.gz	ZUOJZROIVJJUFY-UHFFFAOYSA-N	-1	3	528.356	3.798	40	5		KHBBHM
O=C(c1nn(-c2ccccc2)c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c([O-])c12)c1ccc(Br)cc1	ZINC000004292729	552456963	/nfs/dbraw/zinc/45/69/63/552456963.db2.gz	ZNHIMTIUPMNVBA-FPOVZHCZSA-N	-1	3	519.311	3.974	40	5		KHBBHM
COc1ccc(C([O-])=C2[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1	ZINC000008691777	553118026	/nfs/dbraw/zinc/11/80/26/553118026.db2.gz	KPZXGJQJCQTHMA-XQBPLPMBSA-N	-1	3	505.405	3.967	40	5		KHBBHM
COc1ccc(C([O-])=C2[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1	ZINC000008691779	553117997	/nfs/dbraw/zinc/11/79/97/553117997.db2.gz	KPZXGJQJCQTHMA-WOIUINJBSA-N	-1	3	505.405	3.967	40	5		KHBBHM
CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(O)c(OC)c2)cc1	ZINC000009159884	553215580	/nfs/dbraw/zinc/21/55/80/553215580.db2.gz	PHDVXTXVVOLFOG-VXNXHJTFSA-N	-1	3	505.483	3.759	40	5		KHBBHM
COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	ZINC000009232665	553223877	/nfs/dbraw/zinc/22/38/77/553223877.db2.gz	CKHLVHHWCKKMNB-SMIHKQSGSA-N	-1	3	505.483	3.672	40	5		KHBBHM
COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2[N+](=O)[O-])c1	ZINC000009501174	553275169	/nfs/dbraw/zinc/27/51/69/553275169.db2.gz	IYPKSYLBKIZAPC-SMIHKQSGSA-N	-1	3	505.483	3.672	40	5		KHBBHM
COc1ccc(C([O-])=C2[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1	ZINC000013143841	553454551	/nfs/dbraw/zinc/45/45/51/553454551.db2.gz	KPZXGJQJCQTHMA-KNKQGSTJSA-N	-1	3	505.405	3.967	40	5		KHBBHM
COc1ccc(C([O-])=C2[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1	ZINC000013143845	553454571	/nfs/dbraw/zinc/45/45/71/553454571.db2.gz	KPZXGJQJCQTHMA-DXIQSLLYSA-N	-1	3	505.405	3.967	40	5		KHBBHM
COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	ZINC000013787422	553490844	/nfs/dbraw/zinc/49/08/44/553490844.db2.gz	CKHLVHHWCKKMNB-HJOGWXRNSA-N	-1	3	505.483	3.672	40	5		KHBBHM
COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)cc2[N+](=O)[O-])c1	ZINC000013806134	553491808	/nfs/dbraw/zinc/49/18/08/553491808.db2.gz	IYPKSYLBKIZAPC-HJOGWXRNSA-N	-1	3	505.483	3.672	40	5		KHBBHM
O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)c([O-])c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000016525144	553567009	/nfs/dbraw/zinc/56/70/09/553567009.db2.gz	GWMRQWCZBNODEU-UHFFFAOYSA-N	-1	3	518.555	3.807	40	5		KHBBHM
COc1cc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OC	ZINC000017918232	553600714	/nfs/dbraw/zinc/60/07/14/553600714.db2.gz	AUPKVTVKRJZIBP-SGNDLWITSA-N	-1	3	505.483	3.672	40	5		KHBBHM
CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(O)c(OC)c2)cc1	ZINC000018060439	553602513	/nfs/dbraw/zinc/60/25/13/553602513.db2.gz	PHDVXTXVVOLFOG-HJOGWXRNSA-N	-1	3	505.483	3.759	40	5		KHBBHM
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c(OC)c1OC	ZINC000018086856	553603780	/nfs/dbraw/zinc/60/37/80/553603780.db2.gz	AETUJMQRCWKNQR-DPLHUUCSSA-N	-1	3	505.483	3.672	40	5		KHBBHM
COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000018156575	553606549	/nfs/dbraw/zinc/60/65/49/553606549.db2.gz	SFPMNOAHAFYWHT-SGNDLWITSA-N	-1	3	505.483	3.672	40	5		KHBBHM
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc(OC)c1OC	ZINC000018208282	553610387	/nfs/dbraw/zinc/61/03/87/553610387.db2.gz	KKFMYAGUTRVVBW-GPXNEJASSA-N	-1	3	505.483	3.672	40	5		KHBBHM
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21	ZINC000040400282	554284429	/nfs/dbraw/zinc/28/44/29/554284429.db2.gz	YETIRVPQBJZRSD-CQSZACIVSA-N	-1	3	502.409	3.813	40	5		KHBBHM
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21	ZINC000040400284	554284564	/nfs/dbraw/zinc/28/45/64/554284564.db2.gz	YETIRVPQBJZRSD-AWEZNQCLSA-N	-1	3	502.409	3.813	40	5		KHBBHM
Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[n-]c(=O)c32)cc1[N+](=O)[O-]	ZINC000040400298	554284481	/nfs/dbraw/zinc/28/44/81/554284481.db2.gz	ZTHLZHVGAOMKCW-CQSZACIVSA-N	-1	3	502.409	3.813	40	5		KHBBHM
Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[n-]c(=O)c32)cc1[N+](=O)[O-]	ZINC000040400300	554284998	/nfs/dbraw/zinc/28/49/98/554284998.db2.gz	ZTHLZHVGAOMKCW-AWEZNQCLSA-N	-1	3	502.409	3.813	40	5		KHBBHM
O=C(c1nn(-c2ccccc2)c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c([O-])c12)c1ccc(Br)cc1	ZINC000100354590	554334029	/nfs/dbraw/zinc/33/40/29/554334029.db2.gz	ZNHIMTIUPMNVBA-TZIWHRDSSA-N	-1	3	519.311	3.974	40	5		KHBBHM
O=C(c1nn(-c2ccccc2)c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c([O-])c12)c1ccc(Br)cc1	ZINC000100354592	554333967	/nfs/dbraw/zinc/33/39/67/554333967.db2.gz	ZNHIMTIUPMNVBA-CTNGQTDRSA-N	-1	3	519.311	3.974	40	5		KHBBHM
O=C(c1nn(-c2ccccc2)c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c([O-])c12)c1ccc(Br)cc1	ZINC000100354595	554333933	/nfs/dbraw/zinc/33/39/33/554333933.db2.gz	ZNHIMTIUPMNVBA-PZJWPPBQSA-N	-1	3	519.311	3.974	40	5		KHBBHM
COc1ccc(S(=O)(=O)[N-]CC(=O)OCc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000100391406	554367047	/nfs/dbraw/zinc/36/70/47/554367047.db2.gz	AEZFVXIOFVSDAB-UHFFFAOYSA-N	-1	3	551.917	3.979	40	5		KHBBHM
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101127501	554646089	/nfs/dbraw/zinc/64/60/89/554646089.db2.gz	UYWITWSRZWNZHO-VJBWXMMDSA-N	-1	3	520.454	3.571	40	5		KHBBHM
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101127508	554646086	/nfs/dbraw/zinc/64/60/86/554646086.db2.gz	UYWITWSRZWNZHO-VABKMULXSA-N	-1	3	520.454	3.571	40	5		KHBBHM
CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(O)c(OC)c2)cc1	ZINC000101149300	554657084	/nfs/dbraw/zinc/65/70/84/554657084.db2.gz	PHDVXTXVVOLFOG-SGNDLWITSA-N	-1	3	505.483	3.759	40	5		KHBBHM
CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(O)c(OC)c2)cc1	ZINC000101149306	554657089	/nfs/dbraw/zinc/65/70/89/554657089.db2.gz	PHDVXTXVVOLFOG-SMIHKQSGSA-N	-1	3	505.483	3.759	40	5		KHBBHM
COc1cc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OC	ZINC000101149723	554657078	/nfs/dbraw/zinc/65/70/78/554657078.db2.gz	AUPKVTVKRJZIBP-HJOGWXRNSA-N	-1	3	505.483	3.672	40	5		KHBBHM
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101176746	554664550	/nfs/dbraw/zinc/66/45/50/554664550.db2.gz	SFPMNOAHAFYWHT-HJOGWXRNSA-N	-1	3	505.483	3.672	40	5		KHBBHM
COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	ZINC000101177880	554665491	/nfs/dbraw/zinc/66/54/91/554665491.db2.gz	CKHLVHHWCKKMNB-SGNDLWITSA-N	-1	3	505.483	3.672	40	5		KHBBHM
COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	ZINC000101177886	554665526	/nfs/dbraw/zinc/66/55/26/554665526.db2.gz	CKHLVHHWCKKMNB-VXNXHJTFSA-N	-1	3	505.483	3.672	40	5		KHBBHM
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc(OC)c1OC	ZINC000101191298	554670559	/nfs/dbraw/zinc/67/05/59/554670559.db2.gz	KKFMYAGUTRVVBW-FIXSFTCYSA-N	-1	3	505.483	3.672	40	5		KHBBHM
COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c(OC)c1OC	ZINC000101213830	554680528	/nfs/dbraw/zinc/68/05/28/554680528.db2.gz	AETUJMQRCWKNQR-HFMPRLQTSA-N	-1	3	505.483	3.672	40	5		KHBBHM
COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)cc2[N+](=O)[O-])c1	ZINC000101215270	554681199	/nfs/dbraw/zinc/68/11/99/554681199.db2.gz	IYPKSYLBKIZAPC-SGNDLWITSA-N	-1	3	505.483	3.672	40	5		KHBBHM
COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2[N+](=O)[O-])c1	ZINC000101215281	554681105	/nfs/dbraw/zinc/68/11/05/554681105.db2.gz	IYPKSYLBKIZAPC-VXNXHJTFSA-N	-1	3	505.483	3.672	40	5		KHBBHM
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	ZINC000101220436	554686379	/nfs/dbraw/zinc/68/63/79/554686379.db2.gz	CCOCLNLUAJFZQB-DPLHUUCSSA-N	-1	3	550.480	3.580	40	5		KHBBHM
COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	ZINC000101220442	554686539	/nfs/dbraw/zinc/68/65/39/554686539.db2.gz	CCOCLNLUAJFZQB-HFMPRLQTSA-N	-1	3	550.480	3.580	40	5		KHBBHM
COc1cc([N+](=O)[O-])ccc1NC(=O)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21	ZINC000102356895	554915694	/nfs/dbraw/zinc/91/56/94/554915694.db2.gz	HJEIPXLPQVTZRW-CYBMUJFWSA-N	-1	3	518.408	3.514	40	5		KHBBHM
COc1cc([N+](=O)[O-])ccc1NC(=O)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21	ZINC000102356899	554915792	/nfs/dbraw/zinc/91/57/92/554915792.db2.gz	HJEIPXLPQVTZRW-ZDUSSCGKSA-N	-1	3	518.408	3.514	40	5		KHBBHM
CCOc1cc([N+](=O)[O-])ccc1NC(=O)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21	ZINC000102356937	554915645	/nfs/dbraw/zinc/91/56/45/554915645.db2.gz	XQRJSRVAPXETLL-CQSZACIVSA-N	-1	3	532.435	3.904	40	5		KHBBHM
CCOc1cc([N+](=O)[O-])ccc1NC(=O)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21	ZINC000102356939	554915786	/nfs/dbraw/zinc/91/57/86/554915786.db2.gz	XQRJSRVAPXETLL-AWEZNQCLSA-N	-1	3	532.435	3.904	40	5		KHBBHM
COc1cc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OC	ZINC000102753249	555045435	/nfs/dbraw/zinc/04/54/35/555045435.db2.gz	AUPKVTVKRJZIBP-TZRRMPRUSA-N	-1	3	505.483	3.672	40	5		KHBBHM
COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102758664	555050681	/nfs/dbraw/zinc/05/06/81/555050681.db2.gz	SFPMNOAHAFYWHT-TZRRMPRUSA-N	-1	3	505.483	3.672	40	5		KHBBHM
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc(OC)c1OC	ZINC000102760264	555052206	/nfs/dbraw/zinc/05/22/06/555052206.db2.gz	KKFMYAGUTRVVBW-AOHZBQACSA-N	-1	3	505.483	3.672	40	5		KHBBHM
COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c(OC)c1OC	ZINC000102762548	555053385	/nfs/dbraw/zinc/05/33/85/555053385.db2.gz	AETUJMQRCWKNQR-AWRGLXIESA-N	-1	3	505.483	3.672	40	5		KHBBHM
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c(OC)c1OC	ZINC000102762555	555053234	/nfs/dbraw/zinc/05/32/34/555053234.db2.gz	AETUJMQRCWKNQR-ZFGGDYGUSA-N	-1	3	505.483	3.672	40	5		KHBBHM
O=C([N-]c1nnc(CCOCCOCCc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)s1)c1ccc([N+](=O)[O-])cc1	ZINC000105622258	571407962	/nfs/dbraw/zinc/40/79/62/571407962.db2.gz	XJJGNIFAKPENSG-UHFFFAOYSA-N	-1	3	614.622	3.529	40	5		KHBBHM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c([O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	ZINC000109027485	571428077	/nfs/dbraw/zinc/42/80/77/571428077.db2.gz	KKKOFIHYIASATE-WYWXSHKMSA-N	-1	3	558.012	3.773	40	5		KHBBHM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c([O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	ZINC000109027490	571428048	/nfs/dbraw/zinc/42/80/48/571428048.db2.gz	KKKOFIHYIASATE-JGZDWKDESA-N	-1	3	558.012	3.773	40	5		KHBBHM
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000217347711	571600949	/nfs/dbraw/zinc/60/09/49/571600949.db2.gz	UYWITWSRZWNZHO-XPWALMASSA-N	-1	3	520.454	3.571	40	5		KHBBHM
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	ZINC000217448631	571601655	/nfs/dbraw/zinc/60/16/55/571601655.db2.gz	CCOCLNLUAJFZQB-ZFGGDYGUSA-N	-1	3	550.480	3.580	40	5		KHBBHM
CCOc1c([O-])ccc([C@H]2Nc3ccc(Br)cc3-c3c(=O)[n-]c(SC)n[n+]32)c1[N+](=O)[O-]	ZINC000261363270	572105237	/nfs/dbraw/zinc/10/52/37/572105237.db2.gz	QMYQDEQDQDAEKI-KRWDZBQOSA-O	-1	3	507.346	3.606	40	5		KHBBHM
CCOc1c([O-])ccc([C@@H]2Nc3ccc(Br)cc3-c3c(=O)[n-]c(SC)n[n+]32)c1[N+](=O)[O-]	ZINC000261363271	572105262	/nfs/dbraw/zinc/10/52/62/572105262.db2.gz	QMYQDEQDQDAEKI-QGZVFWFLSA-O	-1	3	507.346	3.606	40	5		KHBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)cc2)cc1C	ZINC000408711248	1066555201	/nfs/dbraw/zinc/55/52/01/1066555201.db2.gz	LXBAAIVDTNORCO-UHFFFAOYSA-N	-1	3	546.627	3.726	40	5		KHBBHM
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1)S(C)(=O)=O	ZINC000408712565	1066554402	/nfs/dbraw/zinc/55/44/02/1066554402.db2.gz	OVQCDAIWHPQTIM-UHFFFAOYSA-N	-1	3	546.627	3.726	40	5		KHBBHM
O=C(CN1C(=O)SC(=Cc2ccc([O-])c(I)c2)C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000409269447	1066276219	/nfs/dbraw/zinc/27/62/19/1066276219.db2.gz	BRYBWCFZMGKLRL-PXNMLYILSA-N	-1	3	510.265	3.824	40	5		KHBBHM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	ZINC000409357304	1066282995	/nfs/dbraw/zinc/28/29/95/1066282995.db2.gz	IIYIYICUNWGPJA-JGZDWKDESA-N	-1	3	602.463	3.882	40	5		KHBBHM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	ZINC000409357306	1066799680	/nfs/dbraw/zinc/79/96/80/1066799680.db2.gz	IIYIYICUNWGPJA-WYWXSHKMSA-N	-1	3	602.463	3.882	40	5		KHBBHM