smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N+](C)(C)c1ccc(CCC(=O)CCc2ccc([N+](C)(C)CC=C)cc2)cc1	ZINC000003814201	568963184	/nfs/dbraw/zinc/96/31/84/568963184.db2.gz	ZAEXMNKDGJNLTA-UHFFFAOYSA-N	2	0	406.614	5.327	40	30	in-vivo	HKEBRP
C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](C[NH2+]CCC[NH+](CCCC)CCCC)[C@H]3C[C@H]12	ZINC000006778349	568968880	/nfs/dbraw/zinc/96/88/80/568968880.db2.gz	CURRYBTXBNEGJH-CAIUVPPLSA-N	2	0	418.666	5.183	40	30		HKEBRP
CC(=O)N1CC[NH+](CCCC[n+]2c3ccccc3sc3cc(=NN=N)ccc2-3)CC1	ZINC000016958788	558810348	/nfs/dbraw/zinc/81/03/48/558810348.db2.gz	UPGZTEULWWKXKO-UHFFFAOYSA-N	2	0	422.558	5.175	40	30		HKEBRP
CC(C)N/C(=[NH+]\C(C)C)SCCCCCCS/C(NC(C)C)=[NH+]\C(C)C	ZINC000017162874	558824545	/nfs/dbraw/zinc/82/45/45/558824545.db2.gz	TUBHKVHYNYSUDN-UHFFFAOYSA-N	2	0	402.718	5.538	40	30		HKEBRP
C[S@+]1Cc2ccc(cc2)C[S@@+](C)Cc2ccc3ccc4ccc(cc4c3c2)C1	ZINC000025694146	525360556	/nfs/dbraw/zinc/36/05/56/525360556.db2.gz	YJEMQVQIKIRJLY-VSGBNLITSA-N	2	0	402.628	6.203	40	30		HKEBRP
C[N+](C)(C/C=C/C[NH+](Cc1ccccc1)Cc1ccccc1)CC(=O)c1ccccc1	ZINC000057563600	558889165	/nfs/dbraw/zinc/88/91/65/558889165.db2.gz	IEDDOCHEAJQBNX-OUKQBFOZSA-N	2	0	413.585	5.204	40	30		HKEBRP
CCCCCCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCCCCCC)cc1	ZINC000073386453	558986254	/nfs/dbraw/zinc/98/62/54/558986254.db2.gz	PZRMUCPIIOVAHQ-UHFFFAOYSA-N	2	0	418.754	7.560	40	30		HKEBRP
CCCCCCCCCC[N+](C)(C)CCC[N+](C)(C)CCCCCCCCCC	ZINC000079789584	559019008	/nfs/dbraw/zinc/01/90/08/559019008.db2.gz	BBRWFMPRAXTTOY-UHFFFAOYSA-N	2	0	412.791	7.811	40	30		HKEBRP
CCCCCCCCCc1cc(C[NH+]2CCCCC2)c(O)c(C[NH+]2CCCCC2)c1	ZINC000100301262	559193718	/nfs/dbraw/zinc/19/37/18/559193718.db2.gz	GLUITSRIGSTEOE-UHFFFAOYSA-N	2	0	414.678	6.657	40	30		HKEBRP
CCCCCCCC[NH+](CCC[N@@H+](CCCCCCCC)CCOC)CCOC	ZINC000100923876	559141755	/nfs/dbraw/zinc/14/17/55/559141755.db2.gz	QCZPZUOWUSBASI-UHFFFAOYSA-N	2	0	414.719	5.994	40	30		HKEBRP