smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4CCCO[C@@H]4C3)cnc2Cl)c1	ZINC001164419423	718907446	/nfs/dbraw/zinc/90/74/46/718907446.db2.gz	AHOHYMRYQBMBAA-SCLBCKFNSA-N	0	0	423.847	4.860	20	5		HJBDRN
O=[N+]([O-])c1cc(C(F)(F)N2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)cnc1Cl	ZINC001164774869	721057872	/nfs/dbraw/zinc/05/78/72/721057872.db2.gz	YVBKJLJVCQYALZ-HNAYVOBHSA-N	0	0	423.847	4.731	20	5		HJBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)nc1Cl	ZINC001164771567	721058566	/nfs/dbraw/zinc/05/85/66/721058566.db2.gz	MUPKNACXPKJGNE-DNVCBOLYSA-N	0	0	423.847	4.731	20	5		HJBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)nc1Cl	ZINC001164771565	721058715	/nfs/dbraw/zinc/05/87/15/721058715.db2.gz	MUPKNACXPKJGNE-BEFAXECRSA-N	0	0	423.847	4.731	20	5		HJBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)c1	ZINC001164764108	721058539	/nfs/dbraw/zinc/05/85/39/721058539.db2.gz	BHFQRKHTQRAHRG-BEFAXECRSA-N	0	0	423.847	4.731	20	5		HJBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)nc1Cl	ZINC001164771570	721058528	/nfs/dbraw/zinc/05/85/28/721058528.db2.gz	MUPKNACXPKJGNE-KXBFYZLASA-N	0	0	423.847	4.731	20	5		HJBDRN
O=[N+]([O-])c1cc(C(F)(F)N2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)cnc1Cl	ZINC001164774867	721057929	/nfs/dbraw/zinc/05/79/29/721057929.db2.gz	YVBKJLJVCQYALZ-BEFAXECRSA-N	0	0	423.847	4.731	20	5		HJBDRN
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4CC(F)(F)[C@H]4C3)cnc2Cl)c1	ZINC001164411075	718872369	/nfs/dbraw/zinc/87/23/69/718872369.db2.gz	MABPNIMQJBKWSZ-NHYWBVRUSA-N	0	0	415.774	4.947	20	5		HJBDRN
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@H]4CCCO[C@@H]4C3)cnc2Cl)c1	ZINC001164419422	718906792	/nfs/dbraw/zinc/90/67/92/718906792.db2.gz	AHOHYMRYQBMBAA-FZKQIMNGSA-N	0	0	423.847	4.860	20	5		HJBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)c1	ZINC001164764113	721058830	/nfs/dbraw/zinc/05/88/30/721058830.db2.gz	BHFQRKHTQRAHRG-KXBFYZLASA-N	0	0	423.847	4.731	20	5		HJBDRN
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@H]4CC(F)(F)[C@@H]4C3)cnc2Cl)c1	ZINC001164411074	718872532	/nfs/dbraw/zinc/87/25/32/718872532.db2.gz	MABPNIMQJBKWSZ-IAQYHMDHSA-N	0	0	415.774	4.947	20	5		HJBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)c1	ZINC001164764109	721058666	/nfs/dbraw/zinc/05/86/66/721058666.db2.gz	BHFQRKHTQRAHRG-DNVCBOLYSA-N	0	0	423.847	4.731	20	5		HJBDRN
Cc1cc(CN(C)C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)n(C)n1	ZINC001165051402	721990911	/nfs/dbraw/zinc/99/09/11/721990911.db2.gz	QAFINGTWBPXPRA-UHFFFAOYSA-N	0	0	421.835	4.533	20	5		HJBDRN
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCn4cccc4C3)cnc2Cl)c1	ZINC001165051301	721992101	/nfs/dbraw/zinc/99/21/01/721992101.db2.gz	GYJQEJXAZZESRF-UHFFFAOYSA-N	0	0	404.804	4.677	20	5		HJBDRN
O=[N+]([O-])c1cc(C(F)(F)N2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)cnc1Cl	ZINC001164774868	721058013	/nfs/dbraw/zinc/05/80/13/721058013.db2.gz	YVBKJLJVCQYALZ-DNVCBOLYSA-N	0	0	423.847	4.731	20	5		HJBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)c1	ZINC001164764111	721058495	/nfs/dbraw/zinc/05/84/95/721058495.db2.gz	BHFQRKHTQRAHRG-HNAYVOBHSA-N	0	0	423.847	4.731	20	5		HJBDRN
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@H]4[C@H](CC4(F)F)C3)cnc2Cl)c1	ZINC001164411073	718872509	/nfs/dbraw/zinc/87/25/09/718872509.db2.gz	MABPNIMQJBKWSZ-ABAIWWIYSA-N	0	0	415.774	4.947	20	5		HJBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)nc1Cl	ZINC001164771569	721058489	/nfs/dbraw/zinc/05/84/89/721058489.db2.gz	MUPKNACXPKJGNE-HNAYVOBHSA-N	0	0	423.847	4.731	20	5		HJBDRN
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4CCCO[C@H]4C3)cnc2Cl)c1	ZINC001164419424	718907238	/nfs/dbraw/zinc/90/72/38/718907238.db2.gz	AHOHYMRYQBMBAA-UGSOOPFHSA-N	0	0	423.847	4.860	20	5		HJBDRN
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4CC(F)(F)[C@@H]4C3)cnc2Cl)c1	ZINC001164411076	718872437	/nfs/dbraw/zinc/87/24/37/718872437.db2.gz	MABPNIMQJBKWSZ-XHDPSFHLSA-N	0	0	415.774	4.947	20	5		HJBDRN
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@H]4CCCO[C@H]4C3)cnc2Cl)c1	ZINC001164419420	718907546	/nfs/dbraw/zinc/90/75/46/718907546.db2.gz	AHOHYMRYQBMBAA-ACJLOTCBSA-N	0	0	423.847	4.860	20	5		HJBDRN
O=[N+]([O-])c1cc(C(F)(F)N2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)cnc1Cl	ZINC001164774871	721058039	/nfs/dbraw/zinc/05/80/39/721058039.db2.gz	YVBKJLJVCQYALZ-KXBFYZLASA-N	0	0	423.847	4.731	20	5		HJBDRN