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)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn3)CC[C@@H]21	ZINC001164839806	720598029	/nfs/dbraw/zinc/59/80/29/720598029.db2.gz	OQQGSTXZSYKAHH-KQOSPKRVSA-N	2	1	439.564	3.096	20	5		IGBDMP
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn3)CC[C@@H]21	ZINC001164839806	720598052	/nfs/dbraw/zinc/59/80/52/720598052.db2.gz	OQQGSTXZSYKAHH-KQOSPKRVSA-N	2	1	439.564	3.096	20	5		IGBDMP
C[NH+](C)/C=C\c1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001164906019	721551932	/nfs/dbraw/zinc/55/19/32/721551932.db2.gz	IIQWTMCIHCPOGR-CWHLKURSSA-N	2	1	427.480	3.003	20	5		IGBDMP
C[NH+](C)/C=C\c1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001164906019	721551934	/nfs/dbraw/zinc/55/19/34/721551934.db2.gz	IIQWTMCIHCPOGR-CWHLKURSSA-N	2	1	427.480	3.003	20	5		IGBDMP
C[NH+](C)/C=C/c1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001164906026	721551988	/nfs/dbraw/zinc/55/19/88/721551988.db2.gz	IIQWTMCIHCPOGR-KQPGTDLCSA-N	2	1	427.480	3.003	20	5		IGBDMP
C[NH+](C)/C=C/c1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001164906026	721551992	/nfs/dbraw/zinc/55/19/92/721551992.db2.gz	IIQWTMCIHCPOGR-KQPGTDLCSA-N	2	1	427.480	3.003	20	5		IGBDMP
C[NH+](C)/C=C\c1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001164906022	721552133	/nfs/dbraw/zinc/55/21/33/721552133.db2.gz	IIQWTMCIHCPOGR-DDRDIHNTSA-N	2	1	427.480	3.003	20	5		IGBDMP
C[NH+](C)/C=C\c1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001164906022	721552136	/nfs/dbraw/zinc/55/21/36/721552136.db2.gz	IIQWTMCIHCPOGR-DDRDIHNTSA-N	2	1	427.480	3.003	20	5		IGBDMP
C[NH+](C)/C=C/c1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001164906029	721551781	/nfs/dbraw/zinc/55/17/81/721551781.db2.gz	IIQWTMCIHCPOGR-YKMDAGRBSA-N	2	1	427.480	3.003	20	5		IGBDMP
C[NH+](C)/C=C/c1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001164906029	721551785	/nfs/dbraw/zinc/55/17/85/721551785.db2.gz	IIQWTMCIHCPOGR-YKMDAGRBSA-N	2	1	427.480	3.003	20	5		IGBDMP
CC(C)[N@H+](C)Cc1nn(-c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)c2c1CC[NH2+]C2	ZINC001164680521	719648485	/nfs/dbraw/zinc/64/84/85/719648485.db2.gz	UAHXXRQKKHHJQS-UHFFFAOYSA-N	2	1	441.923	3.377	20	5		IGBDMP
CC(C)[N@@H+](C)Cc1nn(-c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)c2c1CC[NH2+]C2	ZINC001164680521	719648494	/nfs/dbraw/zinc/64/84/94/719648494.db2.gz	UAHXXRQKKHHJQS-UHFFFAOYSA-N	2	1	441.923	3.377	20	5		IGBDMP
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn3)CC[C@@H]21	ZINC001164839816	720597478	/nfs/dbraw/zinc/59/74/78/720597478.db2.gz	OQQGSTXZSYKAHH-YKKOSAOHSA-N	2	1	439.564	3.096	20	5		IGBDMP
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn3)CC[C@@H]21	ZINC001164839816	720597498	/nfs/dbraw/zinc/59/74/98/720597498.db2.gz	OQQGSTXZSYKAHH-YKKOSAOHSA-N	2	1	439.564	3.096	20	5		IGBDMP
CCc1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164680171	719642693	/nfs/dbraw/zinc/64/26/93/719642693.db2.gz	RDCTVSZCFUEHJJ-UHFFFAOYSA-N	2	1	435.532	3.286	20	5		IGBDMP
CCc1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164680171	719642698	/nfs/dbraw/zinc/64/26/98/719642698.db2.gz	RDCTVSZCFUEHJJ-UHFFFAOYSA-N	2	1	435.532	3.286	20	5		IGBDMP
CC(C)[N@H+]1[C@@H]2CCN(c3cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164839804	720598428	/nfs/dbraw/zinc/59/84/28/720598428.db2.gz	OQQGSTXZSYKAHH-IATPYWNVSA-N	2	1	439.564	3.096	20	5		IGBDMP
CC(C)[N@@H+]1[C@@H]2CCN(c3cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164839804	720598438	/nfs/dbraw/zinc/59/84/38/720598438.db2.gz	OQQGSTXZSYKAHH-IATPYWNVSA-N	2	1	439.564	3.096	20	5		IGBDMP
CC(C)[N@H+]1[C@@H]2CCN(c3cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164839811	720597216	/nfs/dbraw/zinc/59/72/16/720597216.db2.gz	OQQGSTXZSYKAHH-QUDOHWQLSA-N	2	1	439.564	3.096	20	5		IGBDMP
CC(C)[N@@H+]1[C@@H]2CCN(c3cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164839811	720597219	/nfs/dbraw/zinc/59/72/19/720597219.db2.gz	OQQGSTXZSYKAHH-QUDOHWQLSA-N	2	1	439.564	3.096	20	5		IGBDMP