smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CC[NH+](C)C)c1ccc2c(=O)n(CC[NH+](C)C)c(=O)n3c4ccccc4c(=O)c1c23	ZINC000005581958	562944325	/nfs/dbraw/zinc/94/43/25/562944325.db2.gz	PLNMWNSPPNPJPB-UHFFFAOYSA-N	2	0	435.528	1.125	1	5		IDBFRP
C[N+]1(C)CCO[C@](O)(c2ccc(CCc3ccc([C@@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	ZINC000027858199	563047488	/nfs/dbraw/zinc/04/74/88/563047488.db2.gz	HKVXMMIOFLZEIL-WMPKNSHKSA-N	2	0	442.600	1.975	1	5		IDBFRP
C[N+]1(C)CCO[C@@](O)(c2ccc(CCc3ccc([C@@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	ZINC000027858192	563047428	/nfs/dbraw/zinc/04/74/28/563047428.db2.gz	HKVXMMIOFLZEIL-CLJLJLNGSA-N	2	0	442.600	1.975	1	5		IDBFRP
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)C(C)(C)C	ZINC000082152190	563173377	/nfs/dbraw/zinc/17/33/77/563173377.db2.gz	QAEZJDXRJBVTSY-XKGZKEIXSA-N	2	0	447.580	1.857	1	5		IDBFRP
C[N+]1(C)CCO[C@](O)(c2ccc(CCc3ccc([C@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	ZINC000027858205	563047481	/nfs/dbraw/zinc/04/74/81/563047481.db2.gz	HKVXMMIOFLZEIL-UIOOFZCWSA-N	2	0	442.600	1.975	1	5		IDBFRP
C[N+]1(C)CCO[C@@](O)(c2ccc(Cc3ccc([C@@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	ZINC000027862045	563047463	/nfs/dbraw/zinc/04/74/63/563047463.db2.gz	AENXFXNKSOGMDI-JWQCQUIFSA-N	2	0	428.573	1.781	1	5		IDBFRP
C[N+](C)(CCC[NH3+])CCC[N+](C)(C)CCCCNC(=O)[C@@H](O)Cc1c[nH]c2ccccc12	ZINC000014768830	717111359	/nfs/dbraw/zinc/11/13/59/717111359.db2.gz	SEGUURAGVWABQF-DEOSSOPVSA-O	3	0	447.668	1.859	1	5		IDBFRP
C[N+]1(C)CCO[C@@](O)(c2ccc(-c3ccc([C@@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	ZINC000169305836	717155021	/nfs/dbraw/zinc/15/50/21/717155021.db2.gz	JIWUESGGKYLPPG-RPXPSMLPSA-N	2	0	426.594	1.857	1	5		IDBFRP
C[NH+](C)CCCNc1ccc2c(=O)n(CC[NH+](C)C)c(=O)n3c4ccccc4c(=O)c1c23	ZINC000005580959	562944227	/nfs/dbraw/zinc/94/42/27/562944227.db2.gz	FUFIQEAPORJTAW-UHFFFAOYSA-N	2	0	435.528	1.491	1	5		IDBFRP
C[N+]1(C)CCO[C@](O)(c2ccc(Cc3ccc([C@@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	ZINC000027862052	563047450	/nfs/dbraw/zinc/04/74/50/563047450.db2.gz	AENXFXNKSOGMDI-PLQXJYEYSA-N	2	0	428.573	1.781	1	5		IDBFRP
C[N+]1(C)CCO[C@](O)(c2ccc(Cc3ccc([C@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	ZINC000027862063	563047475	/nfs/dbraw/zinc/04/74/75/563047475.db2.gz	AENXFXNKSOGMDI-DQEYMECFSA-N	2	0	428.573	1.781	1	5		IDBFRP
C[N+]1(C)CCO[C@](O)(c2ccc(-c3ccc([C@@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	ZINC000169305837	717154988	/nfs/dbraw/zinc/15/49/88/717154988.db2.gz	JIWUESGGKYLPPG-KDTMYYQDSA-N	2	0	426.594	1.857	1	5		IDBFRP