smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C	ZINC000769892594	1078646037	/nfs/dbraw/zinc/64/60/37/1078646037.db2.gz	TUIFBANVHXOJIX-UHFFFAOYSA-N	2	0	420.963	2.451	20	5		HEBDRP
C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)CC2	ZINC001164795933	721504670	/nfs/dbraw/zinc/50/46/70/721504670.db2.gz	OSUKTBKYNXUQOV-UHFFFAOYSA-N	2	0	423.521	2.348	20	5		HEBDRP
O=[N+]([O-])c1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1C1C[NH2+]C1	ZINC001164995077	722213928	/nfs/dbraw/zinc/21/39/28/722213928.db2.gz	GCFFGHLXEUTTCN-NRFANRHFSA-N	2	0	412.469	2.456	20	5		HEBDRP
C[NH+](C)CCCC1CC[NH+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1	ZINC000766996611	1079553439	/nfs/dbraw/zinc/55/34/39/1079553439.db2.gz	UFZHWXMOLBEROG-UHFFFAOYSA-N	2	0	417.554	2.297	20	5		HEBDRP
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)ccc12	ZINC001169010202	1079098524	/nfs/dbraw/zinc/09/85/24/1079098524.db2.gz	ZVLGWEKWRVSLEY-DAYGRLMNSA-N	2	0	416.478	2.182	20	5		HEBDRP
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCC[NH3+])[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)ccc12	ZINC001169010203	1079098624	/nfs/dbraw/zinc/09/86/24/1079098624.db2.gz	ZVLGWEKWRVSLEY-MPGHIAIKSA-N	2	0	416.478	2.182	20	5		HEBDRP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@@H]21	ZINC001165018746	721832336	/nfs/dbraw/zinc/83/23/36/721832336.db2.gz	ABFICXBXAWJWCY-AYOQOUSVSA-N	2	0	423.521	2.204	20	5		HEBDRP
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCC[NH3+])[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)ccc12	ZINC001169010205	1079098467	/nfs/dbraw/zinc/09/84/67/1079098467.db2.gz	ZVLGWEKWRVSLEY-VKJFTORMSA-N	2	0	416.478	2.182	20	5		HEBDRP
[NH3+]CCc1cn(-c2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])c2cc(OC(F)(F)F)ccc12	ZINC001169609452	1079336778	/nfs/dbraw/zinc/33/67/78/1079336778.db2.gz	XLQGNHZMWYHGNH-UHFFFAOYSA-N	2	0	422.367	2.415	20	5		HEBDRP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@@H]21	ZINC001165018748	721832290	/nfs/dbraw/zinc/83/22/90/721832290.db2.gz	ABFICXBXAWJWCY-ZYSHUDEJSA-N	2	0	423.521	2.204	20	5		HEBDRP
O=[N+]([O-])c1cnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc1C1C[NH2+]C1	ZINC001164995078	722214028	/nfs/dbraw/zinc/21/40/28/722214028.db2.gz	GCFFGHLXEUTTCN-OAQYLSRUSA-N	2	0	412.469	2.456	20	5		HEBDRP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@H]21	ZINC001165018745	721832303	/nfs/dbraw/zinc/83/23/03/721832303.db2.gz	ABFICXBXAWJWCY-ATZDWAIDSA-N	2	0	423.521	2.204	20	5		HEBDRP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@H]21	ZINC001165018747	721832212	/nfs/dbraw/zinc/83/22/12/721832212.db2.gz	ABFICXBXAWJWCY-KFKAGJAMSA-N	2	0	423.521	2.204	20	5		HEBDRP
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)ccc12	ZINC001169010204	1079098632	/nfs/dbraw/zinc/09/86/32/1079098632.db2.gz	ZVLGWEKWRVSLEY-RKVPGOIHSA-N	2	0	416.478	2.182	20	5		HEBDRP