smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2)c1C	ZINC000102483815	130137608	/nfs/dbraw/zinc/13/76/08/130137608.db2.gz	JGFZGUNFQQFTPL-QOJBNDRUSA-N	0	3	455.511	2.410	50	30		JEEAHN
C=CCn1c2ccccc2n(CC(=O)NCCCN2CCN(c3cccc(C)c3)[C@@H](C)C2)c(=O)c1=O	ZINC000033268765	519263776	/nfs/dbraw/zinc/26/37/76/519263776.db2.gz	JRPJHHMDESENGC-QFIPXVFZSA-N	0	3	489.620	2.375	50	30		JEEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(F)cc1	ZINC000008737966	554639538	/nfs/dbraw/zinc/63/95/38/554639538.db2.gz	RLAHQDJIXHUVKT-JBCNATCCSA-N	0	3	489.569	2.449	50	30		JEEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000008921646	554818660	/nfs/dbraw/zinc/81/86/60/554818660.db2.gz	FBVCIOVCLFMMPY-FQEVSTJZSA-N	0	3	483.521	2.345	50	30		JEEAHN
Cc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)o1	ZINC000019884002	555528069	/nfs/dbraw/zinc/52/80/69/555528069.db2.gz	KIDAUFFTFSBXFE-HXUWFJFHSA-N	0	3	475.567	2.368	50	30		JEEAHN
c1ccc(C23CN4CC(CN(C2)CC4)/C3=N\N=C2/C3CN4CC2(c2ccccc2)CN(C3)CC4)cc1	ZINC000022942262	555992719	/nfs/dbraw/zinc/99/27/19/555992719.db2.gz	HHFFAAUUEOLJFH-WWQQVGJXSA-N	0	3	480.660	2.181	50	30		JEEAHN
N#CCCN(CCC#N)C(=O)COC(=O)C1CCN(c2cccc(OC(F)(F)F)c2)C1=O	ZINC000032922182	556541644	/nfs/dbraw/zinc/54/16/44/556541644.db2.gz	LCNSHRKWRGQMHI-INIZCTEOSA-N	0	3	452.389	2.137	50	30		JEEAHN
N[C@@H](CC(=O)N1CCc2c(nc(C(F)(F)F)nc2C(F)(F)F)C1)CN1CC(F)(F)CCC1=O	ZINC000068245464	569691075	/nfs/dbraw/zinc/69/10/75/569691075.db2.gz	ZWPRRQZNBDYKLH-VIFPVBQESA-N	0	3	489.367	2.374	50	30	investigational	JEEAHN
COc1cccc([C@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000102737301	130282236	/nfs/dbraw/zinc/28/22/36/130282236.db2.gz	OXPLELKPICGQFK-NHFXJNLRSA-N	0	3	454.527	2.484	50	30		JEEAHN
COc1ccc(OC)c([C@@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000102753660	130291643	/nfs/dbraw/zinc/29/16/43/130291643.db2.gz	BPRSTCKFAVNVRQ-JBCNATCCSA-N	0	3	454.527	2.484	50	30		JEEAHN
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](NCc1cc(OC)c(OC)c(OC)c1)C2	ZINC000299756071	570174242	/nfs/dbraw/zinc/17/42/42/570174242.db2.gz	CHYBYRCHWCPKST-IBGZPJMESA-N	0	3	483.613	2.130	50	30		JEEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOCCO)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000102572546	130214787	/nfs/dbraw/zinc/21/47/87/130214787.db2.gz	CNYBNPJFFCOCSD-YDJIHCHBSA-N	0	3	456.451	2.424	50	30		JEEAHN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000102694375	130240530	/nfs/dbraw/zinc/24/05/30/130240530.db2.gz	VUECJBMJNZXFTI-MRJHHRETSA-N	0	3	466.490	2.228	50	30		JEEAHN
COc1cccc([C@@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000102737303	130282256	/nfs/dbraw/zinc/28/22/56/130282256.db2.gz	OXPLELKPICGQFK-YDJIHCHBSA-N	0	3	454.527	2.484	50	30		JEEAHN
COc1ccc([C@@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000102751371	130290295	/nfs/dbraw/zinc/29/02/95/130290295.db2.gz	ATEXPXQPPZIGNR-JBCNATCCSA-N	0	3	454.527	2.484	50	30		JEEAHN
C=CCn1c2ccccc2n(CC(=O)NCCN2CCC(Cc3ccccc3)CC2)c(=O)c1=O	ZINC000033268754	519264701	/nfs/dbraw/zinc/26/47/01/519264701.db2.gz	KBDMWKRWJIKBQM-UHFFFAOYSA-N	0	3	460.578	2.420	50	30		JEEAHN
COc1cc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC	ZINC000009122999	522952340	/nfs/dbraw/zinc/95/23/40/522952340.db2.gz	IZCBLOXLAIIALO-NHFXJNLRSA-N	0	3	455.511	2.481	50	30		JEEAHN
COC(=O)c1ccc([C@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102751863	130291112	/nfs/dbraw/zinc/29/11/12/130291112.db2.gz	AACDPTKPIFGPRY-NHFXJNLRSA-N	0	3	452.511	2.253	50	30		JEEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@H]1c1ccccc1	ZINC000016742208	524055080	/nfs/dbraw/zinc/05/50/80/524055080.db2.gz	XQSZVORNCPLSCL-OAQYLSRUSA-N	0	3	471.579	2.467	50	30		JEEAHN
Cc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)o1	ZINC000008914539	554807643	/nfs/dbraw/zinc/80/76/43/554807643.db2.gz	CBCXGDUEXUZRGK-NHFXJNLRSA-N	0	3	475.567	2.212	50	30		JEEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000008921649	554818615	/nfs/dbraw/zinc/81/86/15/554818615.db2.gz	FBVCIOVCLFMMPY-HXUWFJFHSA-N	0	3	483.521	2.345	50	30		JEEAHN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000008996771	554857863	/nfs/dbraw/zinc/85/78/63/554857863.db2.gz	ITKKXQAIFCMAEZ-MOBKVPTQSA-N	0	3	468.506	2.458	50	30		JEEAHN
COc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000013551084	555491859	/nfs/dbraw/zinc/49/18/59/555491859.db2.gz	SCFWMIBUQNJIMC-NRFANRHFSA-N	0	3	487.578	2.085	50	30		JEEAHN
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)OCCO3)=C(O)C(=O)N2CCCN(C)C	ZINC000102557406	130206206	/nfs/dbraw/zinc/20/62/06/130206206.db2.gz	JHCOIVSOEOQYKR-FSLHIAPTSA-N	0	3	491.544	2.352	50	30		JEEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccs1	ZINC000008738640	524053976	/nfs/dbraw/zinc/05/39/76/524053976.db2.gz	UEVJSDYCGBLCGB-WOOAAIBNSA-N	0	3	477.608	2.372	50	30		JEEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)[C@@H]1c1ccccc1	ZINC000016742207	524055058	/nfs/dbraw/zinc/05/50/58/524055058.db2.gz	XQSZVORNCPLSCL-NRFANRHFSA-N	0	3	471.579	2.467	50	30		JEEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccccc1F	ZINC000008914095	554807118	/nfs/dbraw/zinc/80/71/18/554807118.db2.gz	HYHFJNKUGWOUIV-JBCNATCCSA-N	0	3	489.569	2.449	50	30		JEEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccccc1	ZINC000019883622	555528011	/nfs/dbraw/zinc/52/80/11/555528011.db2.gz	VCPOGXCCKJZLDZ-OAQYLSRUSA-N	0	3	471.579	2.467	50	30		JEEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccccc1	ZINC000019883620	555528103	/nfs/dbraw/zinc/52/81/03/555528103.db2.gz	VCPOGXCCKJZLDZ-NRFANRHFSA-N	0	3	471.579	2.467	50	30		JEEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccccc1	ZINC000019928263	555543563	/nfs/dbraw/zinc/54/35/63/555543563.db2.gz	NWGCLZXKWOOILH-HXUWFJFHSA-N	0	3	457.552	2.077	50	30		JEEAHN
COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000102739376	130284033	/nfs/dbraw/zinc/28/40/33/130284033.db2.gz	SWKFCJMAEMCTCR-JBCNATCCSA-N	0	3	456.543	2.428	50	30		JEEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000102863692	130335187	/nfs/dbraw/zinc/33/51/87/130335187.db2.gz	QZFZLOLVDNWJHK-QOJBNDRUSA-N	0	3	483.521	2.188	50	30		JEEAHN
COc1cc(OC)c([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000102877087	130349616	/nfs/dbraw/zinc/34/96/16/130349616.db2.gz	JPBZBIXLYVNMLE-MRJHHRETSA-N	0	3	455.511	2.481	50	30		JEEAHN
C=CCn1cc(C(=O)NCCN(CC)CC)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21	ZINC000009731193	519276082	/nfs/dbraw/zinc/27/60/82/519276082.db2.gz	DFJSYLMKEGAIBC-UHFFFAOYSA-N	0	3	462.616	2.290	50	30		JEEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccs1	ZINC000008738639	554640324	/nfs/dbraw/zinc/64/03/24/554640324.db2.gz	UEVJSDYCGBLCGB-LFVOPCPISA-N	0	3	477.608	2.372	50	30		JEEAHN
Cc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000019885211	555528498	/nfs/dbraw/zinc/52/84/98/555528498.db2.gz	XFKHHVGPXWOLHH-OAQYLSRUSA-N	0	3	471.579	2.385	50	30		JEEAHN
COC(=O)c1ccc([C@@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000013725481	555600022	/nfs/dbraw/zinc/60/00/22/555600022.db2.gz	DJPAVNKUNZIRBN-HXUWFJFHSA-N	0	3	452.511	2.410	50	30		JEEAHN
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000013732549	555604465	/nfs/dbraw/zinc/60/44/65/555604465.db2.gz	CEZHQAKMLMZJDD-HXUWFJFHSA-N	0	3	454.527	2.354	50	30		JEEAHN
c1ccc(C23CN4CC(CN(C2)CC4)C3=NN=C2C3CN4CC2(c2ccccc2)CN(C3)CC4)cc1	ZINC000252608149	570085712	/nfs/dbraw/zinc/08/57/12/570085712.db2.gz	HHFFAAUUEOLJFH-UHFFFAOYSA-N	0	3	480.660	2.181	50	30		JEEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2OC)c1C	ZINC000102521536	130173944	/nfs/dbraw/zinc/17/39/44/130173944.db2.gz	XZQUHVOWEYRWOO-ASBZNUFUSA-N	0	3	455.511	2.410	50	30		JEEAHN
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)OCCO3)=C(O)C(=O)N2CCCN(C)C	ZINC000102557412	130206211	/nfs/dbraw/zinc/20/62/11/130206211.db2.gz	JHCOIVSOEOQYKR-OAWJJLAXSA-N	0	3	491.544	2.352	50	30		JEEAHN
COc1ccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000102744464	130286645	/nfs/dbraw/zinc/28/66/45/130286645.db2.gz	JQWMQYXDQDLNJN-MRJHHRETSA-N	0	3	456.543	2.428	50	30		JEEAHN
COc1cccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000102751559	130290323	/nfs/dbraw/zinc/29/03/23/130290323.db2.gz	YWIVPZWQIBYXGL-YDJIHCHBSA-N	0	3	456.543	2.428	50	30		JEEAHN
COc1ccc(OC)c([C@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000102753657	130291676	/nfs/dbraw/zinc/29/16/76/130291676.db2.gz	BPRSTCKFAVNVRQ-MRJHHRETSA-N	0	3	454.527	2.484	50	30		JEEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000102863690	130335152	/nfs/dbraw/zinc/33/51/52/130335152.db2.gz	QZFZLOLVDNWJHK-ASBZNUFUSA-N	0	3	483.521	2.188	50	30		JEEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@]12c1ccccc1N(C)C2=O	ZINC000020358252	524054786	/nfs/dbraw/zinc/05/47/86/524054786.db2.gz	NJODGVYJTZVLFV-SANMLTNESA-N	0	3	477.517	2.118	50	30		JEEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@]12c1ccccc1N(C)C2=O	ZINC000020358253	524054884	/nfs/dbraw/zinc/05/48/84/524054884.db2.gz	NJODGVYJTZVLFV-AREMUKBSSA-N	0	3	477.517	2.118	50	30		JEEAHN
COC(=O)[C@]12O[C@]13C[C@@H](Cc1ccc4c(c1)OCO4)N(Cc1ccccc1)C[C@@]3(C)OC2=O	ZINC000017206498	556240783	/nfs/dbraw/zinc/24/07/83/556240783.db2.gz	SOQUDIVDRACZOC-FUJBWUKOSA-N	0	3	451.475	2.229	50	30		JEEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)cc2)c1C	ZINC000102932199	569828844	/nfs/dbraw/zinc/82/88/44/569828844.db2.gz	ZKSAJAQWEMSEFF-ASBZNUFUSA-N	0	3	455.511	2.410	50	30		JEEAHN
COC(=O)[C@]12O[C@]13C[C@H](Cc1ccc4c(c1)OCO4)N(Cc1ccccc1)C[C@]3(C)OC2=O	ZINC000252427043	570080132	/nfs/dbraw/zinc/08/01/32/570080132.db2.gz	SOQUDIVDRACZOC-PAWHMVCQSA-N	0	3	451.475	2.229	50	30		JEEAHN
NC(=NOCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1cccc(CN2CCCCC2)c1	ZINC000057995483	195361325	/nfs/dbraw/zinc/36/13/25/195361325.db2.gz	KGZWGEDEAJOZNS-QFIPXVFZSA-N	0	3	476.643	2.268	50	30		JEEAHN
COC(=O)c1ccc([C@@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102751865	130291062	/nfs/dbraw/zinc/29/10/62/130291062.db2.gz	AACDPTKPIFGPRY-YDJIHCHBSA-N	0	3	452.511	2.253	50	30		JEEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000102534008	536567312	/nfs/dbraw/zinc/56/73/12/536567312.db2.gz	CRWLCJPKWAAHHN-MRJHHRETSA-N	0	3	467.478	2.357	50	30		JEEAHN
Cc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)o1	ZINC000019884000	555528035	/nfs/dbraw/zinc/52/80/35/555528035.db2.gz	KIDAUFFTFSBXFE-FQEVSTJZSA-N	0	3	475.567	2.368	50	30		JEEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(F)cc1	ZINC000019928283	555543537	/nfs/dbraw/zinc/54/35/37/555543537.db2.gz	FNZASFNIVRPNLO-FQEVSTJZSA-N	0	3	475.542	2.216	50	30		JEEAHN
CCN1CCN(CCNC(=O)c2ccc(N3CC(=O)C(c4nc5ccccc5s4)=C3N)cc2)CC1	ZINC000064838307	569637047	/nfs/dbraw/zinc/63/70/47/569637047.db2.gz	OUFZMBCUFRTIDP-UHFFFAOYSA-N	0	3	490.633	2.380	50	30		JEEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2OC)c1C	ZINC000102521543	130173900	/nfs/dbraw/zinc/17/39/00/130173900.db2.gz	XZQUHVOWEYRWOO-QOJBNDRUSA-N	0	3	455.511	2.410	50	30		JEEAHN
COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000102739371	130284105	/nfs/dbraw/zinc/28/41/05/130284105.db2.gz	SWKFCJMAEMCTCR-MRJHHRETSA-N	0	3	456.543	2.428	50	30		JEEAHN
Cc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000019885209	555528433	/nfs/dbraw/zinc/52/84/33/555528433.db2.gz	XFKHHVGPXWOLHH-NRFANRHFSA-N	0	3	471.579	2.385	50	30		JEEAHN
COC(=O)[C@]12O[C@]13C[C@H](Cc1ccc4c(c1)OCO4)N(Cc1ccccc1)C[C@@]3(C)OC2=O	ZINC000252427042	570080092	/nfs/dbraw/zinc/08/00/92/570080092.db2.gz	SOQUDIVDRACZOC-LVEBQJTPSA-N	0	3	451.475	2.229	50	30		JEEAHN
C#Cc1cccc(C(=O)N2CCc3c(C(=O)OC)c(OCCN4CCCCC4)cc(=O)n3CC2)c1	ZINC000012035502	518361579	/nfs/dbraw/zinc/36/15/79/518361579.db2.gz	GNDUXMQBPNLMRI-UHFFFAOYSA-N	0	3	477.561	2.179	50	30		JEEAHN
C=CCN1CCN(CC2=NC(=O)N[C@@H](c3ccc(OCC)c(OC)c3)C2C(=O)OCC)CC1	ZINC000067286782	569684167	/nfs/dbraw/zinc/68/41/67/569684167.db2.gz	YCBMQJDQGPVRPC-QFIPXVFZSA-N	0	3	458.559	2.069	50	30		JEEAHN
C=CCN1CCN(CC2=NC(=O)N[C@H](c3ccc(OCC)c(OC)c3)C2C(=O)OCC)CC1	ZINC000067286778	569684179	/nfs/dbraw/zinc/68/41/79/569684179.db2.gz	YCBMQJDQGPVRPC-JOCHJYFZSA-N	0	3	458.559	2.069	50	30		JEEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOCCO)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000102572538	130214766	/nfs/dbraw/zinc/21/47/66/130214766.db2.gz	CNYBNPJFFCOCSD-NHFXJNLRSA-N	0	3	456.451	2.424	50	30		JEEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000102534018	536567980	/nfs/dbraw/zinc/56/79/80/536567980.db2.gz	CRWLCJPKWAAHHN-JBCNATCCSA-N	0	3	467.478	2.357	50	30		JEEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccccc1F	ZINC000008914096	554807146	/nfs/dbraw/zinc/80/71/46/554807146.db2.gz	HYHFJNKUGWOUIV-MRJHHRETSA-N	0	3	489.569	2.449	50	30		JEEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000008996770	554857885	/nfs/dbraw/zinc/85/78/85/554857885.db2.gz	ITKKXQAIFCMAEZ-HOGKFDNTSA-N	0	3	468.506	2.458	50	30		JEEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccccc1	ZINC000019928260	555543585	/nfs/dbraw/zinc/54/35/85/555543585.db2.gz	NWGCLZXKWOOILH-FQEVSTJZSA-N	0	3	457.552	2.077	50	30		JEEAHN
COC(=O)c1ccc([C@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000013725477	555600016	/nfs/dbraw/zinc/60/00/16/555600016.db2.gz	DJPAVNKUNZIRBN-FQEVSTJZSA-N	0	3	452.511	2.410	50	30		JEEAHN
C=CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](NCc1cc(OC)c(OC)c(OC)c1)C2	ZINC000299756073	570174210	/nfs/dbraw/zinc/17/42/10/570174210.db2.gz	CHYBYRCHWCPKST-LJQANCHMSA-N	0	3	483.613	2.130	50	30		JEEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000102502077	130155921	/nfs/dbraw/zinc/15/59/21/130155921.db2.gz	UVSFJXXWEWRHOR-PGVNHDJNSA-N	0	3	485.537	2.419	50	30		JEEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccco1	ZINC000019884748	555528409	/nfs/dbraw/zinc/52/84/09/555528409.db2.gz	UGEXDNVLTFAJIV-IBGZPJMESA-N	0	3	461.540	2.060	50	30		JEEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(F)cc1	ZINC000019928286	555543524	/nfs/dbraw/zinc/54/35/24/555543524.db2.gz	FNZASFNIVRPNLO-HXUWFJFHSA-N	0	3	475.542	2.216	50	30		JEEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)cc2)c1C	ZINC000102932202	569828847	/nfs/dbraw/zinc/82/88/47/569828847.db2.gz	ZKSAJAQWEMSEFF-QOJBNDRUSA-N	0	3	455.511	2.410	50	30		JEEAHN
COC(=O)[C@]12O[C@]13C[C@@H](Cc1ccc4c(c1)OCO4)N(Cc1ccccc1)C[C@]3(C)OC2=O	ZINC000252427044	570080125	/nfs/dbraw/zinc/08/01/25/570080125.db2.gz	SOQUDIVDRACZOC-XELASAAXSA-N	0	3	451.475	2.229	50	30		JEEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(F)cc1	ZINC000008737967	554639491	/nfs/dbraw/zinc/63/94/91/554639491.db2.gz	RLAHQDJIXHUVKT-MRJHHRETSA-N	0	3	489.569	2.449	50	30		JEEAHN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000020228314	555718613	/nfs/dbraw/zinc/71/86/13/555718613.db2.gz	YKIIWGVLNFRELA-NRFANRHFSA-N	0	3	466.490	2.384	50	30		JEEAHN
N#CCCN(CCC#N)C(=O)COC(=O)C1CCN(c2cccc(OC(F)(F)F)c2)C1=O	ZINC000032922181	556541679	/nfs/dbraw/zinc/54/16/79/556541679.db2.gz	LCNSHRKWRGQMHI-MRXNPFEDSA-N	0	3	452.389	2.137	50	30		JEEAHN
C#CCOC[C@H](O)CN(CCCOC)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1	ZINC000036249719	569758019	/nfs/dbraw/zinc/75/80/19/569758019.db2.gz	CVBPFQQHKHZMMV-OAQYLSRUSA-N	0	3	461.534	2.167	50	30		JEEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2)c1C	ZINC000102483809	130137618	/nfs/dbraw/zinc/13/76/18/130137618.db2.gz	JGFZGUNFQQFTPL-ASBZNUFUSA-N	0	3	455.511	2.410	50	30		JEEAHN
COc1cc(OC)c([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000102877084	130349641	/nfs/dbraw/zinc/34/96/41/130349641.db2.gz	JPBZBIXLYVNMLE-JBCNATCCSA-N	0	3	455.511	2.481	50	30		JEEAHN
Cc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000009240293	525981418	/nfs/dbraw/zinc/98/14/18/525981418.db2.gz	QGJQFCZJBLRZLP-MRJHHRETSA-N	0	3	471.579	2.229	50	30		JEEAHN
N=C(N)Nc1nc(CSCCNC=NS(=O)(=O)c2ccc(Br)cc2)cs1	ZINC000003952167	527124358	/nfs/dbraw/zinc/12/43/58/527124358.db2.gz	ZQHFZHPUZXNPMF-UHFFFAOYSA-N	0	3	477.435	2.051	50	30	world	JEEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccco1	ZINC000019884750	555528413	/nfs/dbraw/zinc/52/84/13/555528413.db2.gz	UGEXDNVLTFAJIV-LJQANCHMSA-N	0	3	461.540	2.060	50	30		JEEAHN
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102737765	569818882	/nfs/dbraw/zinc/81/88/82/569818882.db2.gz	VIJJKWGNACLIEU-NHFXJNLRSA-N	0	3	454.527	2.197	50	30		JEEAHN
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102737769	569818963	/nfs/dbraw/zinc/81/89/63/569818963.db2.gz	VIJJKWGNACLIEU-YDJIHCHBSA-N	0	3	454.527	2.197	50	30		JEEAHN
NC(=NOCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1cccc(CN2CCCCC2)c1	ZINC000057995474	195361308	/nfs/dbraw/zinc/36/13/08/195361308.db2.gz	KGZWGEDEAJOZNS-JOCHJYFZSA-N	0	3	476.643	2.268	50	30		JEEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000102502083	130155896	/nfs/dbraw/zinc/15/58/96/130155896.db2.gz	UVSFJXXWEWRHOR-OBVHCKHUSA-N	0	3	485.537	2.419	50	30		JEEAHN
COc1ccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000102744466	130286615	/nfs/dbraw/zinc/28/66/15/130286615.db2.gz	JQWMQYXDQDLNJN-JBCNATCCSA-N	0	3	456.543	2.428	50	30		JEEAHN
COc1ccc([C@H]2C(C(=O)c3cnc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000102751367	130290380	/nfs/dbraw/zinc/29/03/80/130290380.db2.gz	ATEXPXQPPZIGNR-MRJHHRETSA-N	0	3	454.527	2.484	50	30		JEEAHN
COc1cc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC	ZINC000009122996	522916356	/nfs/dbraw/zinc/91/63/56/522916356.db2.gz	IZCBLOXLAIIALO-YDJIHCHBSA-N	0	3	455.511	2.481	50	30		JEEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000013551086	555491864	/nfs/dbraw/zinc/49/18/64/555491864.db2.gz	SCFWMIBUQNJIMC-OAQYLSRUSA-N	0	3	487.578	2.085	50	30		JEEAHN
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000013732546	555604367	/nfs/dbraw/zinc/60/43/67/555604367.db2.gz	CEZHQAKMLMZJDD-FQEVSTJZSA-N	0	3	454.527	2.354	50	30		JEEAHN
CN1CCN(CCCNC(=O)c2cccc(N3CC(=O)C(c4nc5ccccc5s4)=C3N)c2)CC1	ZINC000064838389	569637025	/nfs/dbraw/zinc/63/70/25/569637025.db2.gz	JVZBIXALDWUVNW-UHFFFAOYSA-N	0	3	490.633	2.380	50	30		JEEAHN
C#CCOC[C@@H](O)CN(CCCOC)Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1	ZINC000036249718	569757999	/nfs/dbraw/zinc/75/79/99/569757999.db2.gz	CVBPFQQHKHZMMV-NRFANRHFSA-N	0	3	461.534	2.167	50	30		JEEAHN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000102694368	130240442	/nfs/dbraw/zinc/24/04/42/130240442.db2.gz	VUECJBMJNZXFTI-JBCNATCCSA-N	0	3	466.490	2.228	50	30		JEEAHN
COc1cccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000102751556	130290346	/nfs/dbraw/zinc/29/03/46/130290346.db2.gz	YWIVPZWQIBYXGL-NHFXJNLRSA-N	0	3	456.543	2.428	50	30		JEEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccccc1	ZINC000008741023	524053932	/nfs/dbraw/zinc/05/39/32/524053932.db2.gz	DRUSCAPQMCEMAC-MRJHHRETSA-N	0	3	471.579	2.310	50	30		JEEAHN
Cc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000009240290	525788156	/nfs/dbraw/zinc/78/81/56/525788156.db2.gz	QGJQFCZJBLRZLP-JBCNATCCSA-N	0	3	471.579	2.229	50	30		JEEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccccc1	ZINC000008741022	554643231	/nfs/dbraw/zinc/64/32/31/554643231.db2.gz	DRUSCAPQMCEMAC-JBCNATCCSA-N	0	3	471.579	2.310	50	30		JEEAHN
Cc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)o1	ZINC000008915007	554808108	/nfs/dbraw/zinc/80/81/08/554808108.db2.gz	CBCXGDUEXUZRGK-YDJIHCHBSA-N	0	3	475.567	2.212	50	30		JEEAHN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000020228317	555718622	/nfs/dbraw/zinc/71/86/22/555718622.db2.gz	YKIIWGVLNFRELA-OAQYLSRUSA-N	0	3	466.490	2.384	50	30		JEEAHN
C=CCn1c2ccccc2n(CC(=O)NCCCN2CCN(c3cccc(C)c3)[C@H](C)C2)c(=O)c1=O	ZINC000033268764	569621851	/nfs/dbraw/zinc/62/18/51/569621851.db2.gz	JRPJHHMDESENGC-JOCHJYFZSA-N	0	3	489.620	2.375	50	30		JEEAHN