smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)/C=C/c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001164977005	722138082	/nfs/dbraw/zinc/13/80/82/722138082.db2.gz	HNGNKOSSCYROJR-WENHOXRWSA-N	2	1	438.532	2.644	20	5		IFBDMP
C[NH+](C)/C=C/c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001164977005	722138085	/nfs/dbraw/zinc/13/80/85/722138085.db2.gz	HNGNKOSSCYROJR-WENHOXRWSA-N	2	1	438.532	2.644	20	5		IFBDMP
C[NH+](C)/C=C/c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001164976999	722138298	/nfs/dbraw/zinc/13/82/98/722138298.db2.gz	HNGNKOSSCYROJR-CRZUHJALSA-N	2	1	438.532	2.644	20	5		IFBDMP
C[NH+](C)/C=C/c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001164976999	722138299	/nfs/dbraw/zinc/13/82/99/722138299.db2.gz	HNGNKOSSCYROJR-CRZUHJALSA-N	2	1	438.532	2.644	20	5		IFBDMP
C[NH+](C)/C=C\c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001164977003	722138312	/nfs/dbraw/zinc/13/83/12/722138312.db2.gz	HNGNKOSSCYROJR-NTRZOVMUSA-N	2	1	438.532	2.644	20	5		IFBDMP
C[NH+](C)/C=C\c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001164977003	722138313	/nfs/dbraw/zinc/13/83/13/722138313.db2.gz	HNGNKOSSCYROJR-NTRZOVMUSA-N	2	1	438.532	2.644	20	5		IFBDMP
CCOC(=O)C1CC[NH+](C2CCN(c3cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn3)CC2)CC1	ZINC001164616436	719031666	/nfs/dbraw/zinc/03/16/66/719031666.db2.gz	BXGVKEPTMDFBKQ-BJMVGYQFSA-N	2	1	431.537	2.766	20	5		IFBDMP
C[NH+](C)/C=C\c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001164977001	722138226	/nfs/dbraw/zinc/13/82/26/722138226.db2.gz	HNGNKOSSCYROJR-DPFFDBEASA-N	2	1	438.532	2.644	20	5		IFBDMP
C[NH+](C)/C=C\c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001164977001	722138228	/nfs/dbraw/zinc/13/82/28/722138228.db2.gz	HNGNKOSSCYROJR-DPFFDBEASA-N	2	1	438.532	2.644	20	5		IFBDMP
CCOC(=O)C1CC[NH+](C2CCN(c3cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn3)CC2)CC1	ZINC001164616437	719031435	/nfs/dbraw/zinc/03/14/35/719031435.db2.gz	BXGVKEPTMDFBKQ-YHYXMXQVSA-N	2	1	431.537	2.766	20	5		IFBDMP
CC(C)[N@H+](C)Cc1nn(-c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])c2c1CC[NH2+]C2	ZINC001164679545	719641975	/nfs/dbraw/zinc/64/19/75/719641975.db2.gz	GBHVUPWMILITRH-UHFFFAOYSA-N	2	1	433.822	2.729	20	5		IFBDMP
CC(C)[N@@H+](C)Cc1nn(-c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])c2c1CC[NH2+]C2	ZINC001164679545	719641977	/nfs/dbraw/zinc/64/19/77/719641977.db2.gz	GBHVUPWMILITRH-UHFFFAOYSA-N	2	1	433.822	2.729	20	5		IFBDMP
CC(C)[N@H+](C)Cc1nn(-c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)c2c1CC[NH2+]C2	ZINC001164680594	719648150	/nfs/dbraw/zinc/64/81/50/719648150.db2.gz	XOFBGEILEVVRLM-UHFFFAOYSA-N	2	1	425.468	2.863	20	5		IFBDMP
CC(C)[N@@H+](C)Cc1nn(-c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)c2c1CC[NH2+]C2	ZINC001164680594	719648153	/nfs/dbraw/zinc/64/81/53/719648153.db2.gz	XOFBGEILEVVRLM-UHFFFAOYSA-N	2	1	425.468	2.863	20	5		IFBDMP