smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1nc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164869538	721050080	/nfs/dbraw/zinc/05/00/80/721050080.db2.gz	UDYVQRIOKRYLQH-HUUCEWRRSA-N	0	1	462.894	2.090	20	5		JEBDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])CC2)C1	ZINC001164870273	721267815	/nfs/dbraw/zinc/26/78/15/721267815.db2.gz	VCCJLGNBULQVNT-UHFFFAOYSA-N	0	1	462.938	2.198	20	5		JEBDMN
COC(=O)c1nc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164898135	721519448	/nfs/dbraw/zinc/51/94/48/721519448.db2.gz	HZZUDOTVDXEWRI-GXTWGEPZSA-N	0	1	451.842	2.306	20	5		JEBDMN
CN(C)C(=O)CN1CCOCC2(CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC2)C1	ZINC001164869419	721268152	/nfs/dbraw/zinc/26/81/52/721268152.db2.gz	NWKQSOGQKCWTJJ-UHFFFAOYSA-N	0	1	461.897	2.195	20	5		JEBDMN
COC(=O)c1nc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164898142	721519461	/nfs/dbraw/zinc/51/94/61/721519461.db2.gz	HZZUDOTVDXEWRI-OCCSQVGLSA-N	0	1	451.842	2.306	20	5		JEBDMN
CN1CCN(Cc2cn3c(n2)CN(c2ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn2)CC3)CC1	ZINC001164795680	721521440	/nfs/dbraw/zinc/52/14/40/721521440.db2.gz	RJBTYEYRWVBCHH-UHFFFAOYSA-N	0	1	452.494	2.155	20	5		JEBDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)CC2)C1	ZINC001164879121	721289798	/nfs/dbraw/zinc/28/97/98/721289798.db2.gz	VFPGEKSYONWKNZ-UHFFFAOYSA-N	0	1	472.521	2.198	20	5		JEBDMN
COc1cc2c3cnc4cc5c(cc4c3n(CCN(C)CCO)c(=O)c2cc1OC)OCO5	ZINC000043067259	563166085	/nfs/dbraw/zinc/16/60/85/563166085.db2.gz	TZHYUBSGAHBHFB-UHFFFAOYSA-N	0	1	451.479	2.373	20	5		JEBDMN
CN(C)C(=O)CN1CCOCC2(CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC2)C1	ZINC001164874185	721262080	/nfs/dbraw/zinc/26/20/80/721262080.db2.gz	JJPPNZSTDWFATL-UHFFFAOYSA-N	0	1	461.897	2.195	20	5		JEBDMN
COC(=O)c1nc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164898144	721519752	/nfs/dbraw/zinc/51/97/52/721519752.db2.gz	HZZUDOTVDXEWRI-TZMCWYRMSA-N	0	1	451.842	2.306	20	5		JEBDMN
CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)ccc1[N+](=O)[O-]	ZINC001164726236	720489672	/nfs/dbraw/zinc/48/96/72/720489672.db2.gz	KSNFLCTUZRRXLI-ZWKOTPCHSA-N	0	1	483.525	2.448	20	5		JEBDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)CC2)C1	ZINC001164873477	721283484	/nfs/dbraw/zinc/28/34/84/721283484.db2.gz	MVXVGQARRLBRRN-UHFFFAOYSA-N	0	1	454.531	2.059	20	5		JEBDMN
CCOC(=O)c1nc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-]	ZINC001164975526	722102035	/nfs/dbraw/zinc/10/20/35/722102035.db2.gz	CEMGCSNXUIGZMN-HOTGVXAUSA-N	0	1	476.921	2.337	20	5		JEBDMN
CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)ccc1[N+](=O)[O-]	ZINC001164726232	720488882	/nfs/dbraw/zinc/48/88/82/720488882.db2.gz	KSNFLCTUZRRXLI-QZTJIDSGSA-N	0	1	483.525	2.448	20	5		JEBDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)CC2)C1	ZINC001164868562	721268782	/nfs/dbraw/zinc/26/87/82/721268782.db2.gz	CFZNVHFISXRUFV-UHFFFAOYSA-N	0	1	462.938	2.198	20	5		JEBDMN
Cc1cc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164878666	721286837	/nfs/dbraw/zinc/28/68/37/721286837.db2.gz	SBFFTIZQBYBHTA-UHFFFAOYSA-N	0	1	468.558	2.367	20	5		JEBDMN
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1	ZINC001164966939	722061710	/nfs/dbraw/zinc/06/17/10/722061710.db2.gz	ZRKPHXSIKWLYRL-UHFFFAOYSA-N	0	1	455.519	2.166	20	5		JEBDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)CC2)C1	ZINC001164875973	721292898	/nfs/dbraw/zinc/29/28/98/721292898.db2.gz	IJACENITEXDTOB-UHFFFAOYSA-N	0	1	462.938	2.198	20	5		JEBDMN
COC(=O)c1nc(Cl)nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1[N+](=O)[O-]	ZINC001164961169	722054068	/nfs/dbraw/zinc/05/40/68/722054068.db2.gz	TYLRBXAMXPVGSZ-UHFFFAOYSA-N	0	1	476.921	2.339	20	5		JEBDMN
CCOC(=O)c1nc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164869534	721050605	/nfs/dbraw/zinc/05/06/05/721050605.db2.gz	UDYVQRIOKRYLQH-CABCVRRESA-N	0	1	462.894	2.090	20	5		JEBDMN
CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164975527	722102286	/nfs/dbraw/zinc/10/22/86/722102286.db2.gz	CEMGCSNXUIGZMN-HZPDHXFCSA-N	0	1	476.921	2.337	20	5		JEBDMN
CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)ccc1[N+](=O)[O-]	ZINC001164726234	720487935	/nfs/dbraw/zinc/48/79/35/720487935.db2.gz	KSNFLCTUZRRXLI-ROUUACIJSA-N	0	1	483.525	2.448	20	5		JEBDMN
CCOC(=O)c1nc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164869536	721050128	/nfs/dbraw/zinc/05/01/28/721050128.db2.gz	UDYVQRIOKRYLQH-GJZGRUSLSA-N	0	1	462.894	2.090	20	5		JEBDMN
Cc1ccc(-c2ccc(N3CCC4(CC3)COCCN(CC(=O)N(C)C)C4)nn2)cc1[N+](=O)[O-]	ZINC001164872898	721280999	/nfs/dbraw/zinc/28/09/99/721280999.db2.gz	HTRUIMPYXIAMHW-UHFFFAOYSA-N	0	1	468.558	2.367	20	5		JEBDMN
COc1cc2ncnc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2cc1[N+](=O)[O-]	ZINC001164890378	721412430	/nfs/dbraw/zinc/41/24/30/721412430.db2.gz	SIXOYCAZFAUEET-HXOBKFHXSA-N	0	1	456.547	2.312	20	5		JEBDMN
COc1cc2ncnc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2cc1[N+](=O)[O-]	ZINC001164890381	721412745	/nfs/dbraw/zinc/41/27/45/721412745.db2.gz	SIXOYCAZFAUEET-SBUREZEXSA-N	0	1	456.547	2.312	20	5		JEBDMN
COc1cc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2cc1[N+](=O)[O-]	ZINC001164890374	721412804	/nfs/dbraw/zinc/41/28/04/721412804.db2.gz	SIXOYCAZFAUEET-GAJHUEQPSA-N	0	1	456.547	2.312	20	5		JEBDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)CC2)C1	ZINC001164873811	721288527	/nfs/dbraw/zinc/28/85/27/721288527.db2.gz	BDUMUWOPMLOLBT-UHFFFAOYSA-N	0	1	454.531	2.059	20	5		JEBDMN
COC(=O)c1nc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164898140	721519978	/nfs/dbraw/zinc/51/99/78/721519978.db2.gz	HZZUDOTVDXEWRI-JSGCOSHPSA-N	0	1	451.842	2.306	20	5		JEBDMN
CCOC(=O)c1nc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164975528	722102013	/nfs/dbraw/zinc/10/20/13/722102013.db2.gz	CEMGCSNXUIGZMN-JKSUJKDBSA-N	0	1	476.921	2.337	20	5		JEBDMN
CCOC(=O)C(C(=O)OCC)c1nc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)ccc1[N+](=O)[O-]	ZINC001164726212	720488141	/nfs/dbraw/zinc/48/81/41/720488141.db2.gz	KSNFLCTUZRRXLI-MSOLQXFVSA-N	0	1	483.525	2.448	20	5		JEBDMN
COc1cc2ncnc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2cc1[N+](=O)[O-]	ZINC001164890384	721412908	/nfs/dbraw/zinc/41/29/08/721412908.db2.gz	SIXOYCAZFAUEET-UZUQRXQVSA-N	0	1	456.547	2.312	20	5		JEBDMN
CCOC(=O)c1nc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164869539	721050414	/nfs/dbraw/zinc/05/04/14/721050414.db2.gz	UDYVQRIOKRYLQH-LSDHHAIUSA-N	0	1	462.894	2.090	20	5		JEBDMN
CN(C)C(=O)CN1CCOCC2(CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC2)C1	ZINC001164869402	721266627	/nfs/dbraw/zinc/26/66/27/721266627.db2.gz	NMVFGMIKZFXCQO-UHFFFAOYSA-N	0	1	461.897	2.195	20	5		JEBDMN
CN(C)C(=O)CN1CCOCC2(CCN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])CC2)C1	ZINC001164874458	721285572	/nfs/dbraw/zinc/28/55/72/721285572.db2.gz	RXJQVXFLBHBLPP-UHFFFAOYSA-N	0	1	480.875	2.064	20	5		JEBDMN
CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-]	ZINC001164975525	722101934	/nfs/dbraw/zinc/10/19/34/722101934.db2.gz	CEMGCSNXUIGZMN-CVEARBPZSA-N	0	1	476.921	2.337	20	5		JEBDMN