smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[N@H+](CCCCNc1cc[nH+]c2cc(Cl)ccc12)Cc1cccc(OC)c1O	ZINC000036474194	563095409	/nfs/dbraw/zinc/09/54/09/563095409.db2.gz	BSJPOHQJMGQRJX-UHFFFAOYSA-N	2	1	427.976	5.707	1	10		IKCFMP
CCC[N@@H+](CCCCNc1cc[nH+]c2cc(Cl)ccc12)Cc1cccc(OC)c1O	ZINC000036474194	563095412	/nfs/dbraw/zinc/09/54/12/563095412.db2.gz	BSJPOHQJMGQRJX-UHFFFAOYSA-N	2	1	427.976	5.707	1	10		IKCFMP
CCC[N@@H+](CCCCCC[NH2+]CCc1ccc(Cl)cc1)CCc1ccc(O)c(O)c1	ZINC000045187796	563123031	/nfs/dbraw/zinc/12/30/31/563123031.db2.gz	QGDOWKKQYUMPNP-UHFFFAOYSA-N	2	1	433.036	5.398	1	10		IKCFMP
CN(C)c1ccc(C[N@H+](C)Cc2ccc(CNc3cc[nH+]c4cc(Cl)ccc34)cc2)cc1	ZINC000068201387	563161225	/nfs/dbraw/zinc/16/12/25/563161225.db2.gz	YBRHLLPXLSFEMI-UHFFFAOYSA-N	2	1	445.010	6.198	1	10		IKCFMP
CN(C)c1ccc(C[N@@H+](C)Cc2ccc(CNc3cc[nH+]c4cc(Cl)ccc34)cc2)cc1	ZINC000068201387	563161226	/nfs/dbraw/zinc/16/12/26/563161226.db2.gz	YBRHLLPXLSFEMI-UHFFFAOYSA-N	2	1	445.010	6.198	1	10		IKCFMP
O=C(Nc1cc(C[NH+]2CCCC2)c(O)c(C[NH+]2CCCC2)c1)c1c(Cl)cccc1Cl	ZINC000028766160	563064160	/nfs/dbraw/zinc/06/41/60/563064160.db2.gz	QSSHVCQPNAVJDN-UHFFFAOYSA-N	2	1	448.394	5.143	1	10		IKCFMP
C[N@H+]1C[C@H](c2ccccc2)c2cc(O)c(C[NH+]3CCCCC3)cc2C[C@@H]1Cc1ccccc1	ZINC000045323659	563130796	/nfs/dbraw/zinc/13/07/96/563130796.db2.gz	PHNIMNKOWAJGED-LMSSTIIKSA-N	2	1	440.631	5.609	1	10		IKCFMP
CCCCC[NH+](CCCCC)c1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000026578833	563034015	/nfs/dbraw/zinc/03/40/15/563034015.db2.gz	VEPNNBWWMXMNJH-UHFFFAOYSA-N	2	1	425.620	8.318	1	10		IKCFMP
CC(=O)Nc1ccc(O)c(C[N@@H+](CCCNc2cc[nH+]c3cc(Cl)ccc23)C(C)C)c1	ZINC000029135560	563076194	/nfs/dbraw/zinc/07/61/94/563076194.db2.gz	CWZXIVXPDZXTIT-UHFFFAOYSA-N	2	1	440.975	5.265	1	10		IKCFMP
CC(=O)Nc1ccc(O)c(C[N@H+](CCCNc2cc[nH+]c3cc(Cl)ccc23)C(C)C)c1	ZINC000029135560	563076196	/nfs/dbraw/zinc/07/61/96/563076196.db2.gz	CWZXIVXPDZXTIT-UHFFFAOYSA-N	2	1	440.975	5.265	1	10		IKCFMP
CCC[N@H+](CCCCNc1cc[nH+]c2cc(Cl)ccc12)Cc1cc(OC)ccc1O	ZINC000036474059	563095470	/nfs/dbraw/zinc/09/54/70/563095470.db2.gz	LMPPYFMKMWPFIG-UHFFFAOYSA-N	2	1	427.976	5.707	1	10		IKCFMP
CCC[N@@H+](CCCCNc1cc[nH+]c2cc(Cl)ccc12)Cc1cc(OC)ccc1O	ZINC000036474059	563095472	/nfs/dbraw/zinc/09/54/72/563095472.db2.gz	LMPPYFMKMWPFIG-UHFFFAOYSA-N	2	1	427.976	5.707	1	10		IKCFMP
O=C(Nc1cc(C[NH+]2CCCC2)c(O)c(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1Cl	ZINC000028765812	563064155	/nfs/dbraw/zinc/06/41/55/563064155.db2.gz	NWEOANYJGNMIFS-UHFFFAOYSA-N	2	1	448.394	5.143	1	10		IKCFMP
CN(C)c1ccc(C[N@H+](C)Cc2cccc(CNc3cc[nH+]c4cc(Cl)ccc34)c2)cc1	ZINC000072121438	563163895	/nfs/dbraw/zinc/16/38/95/563163895.db2.gz	YONNUBSFTARJBA-UHFFFAOYSA-N	2	1	445.010	6.198	1	10		IKCFMP
CN(C)c1ccc(C[N@@H+](C)Cc2cccc(CNc3cc[nH+]c4cc(Cl)ccc34)c2)cc1	ZINC000072121438	563163896	/nfs/dbraw/zinc/16/38/96/563163896.db2.gz	YONNUBSFTARJBA-UHFFFAOYSA-N	2	1	445.010	6.198	1	10		IKCFMP
C[N@H+]1C[C@@H](c2ccccc2)c2cc(O)c(C[NH+]3CCCCC3)cc2C[C@@H]1Cc1ccccc1	ZINC000045323662	563130813	/nfs/dbraw/zinc/13/08/13/563130813.db2.gz	PHNIMNKOWAJGED-YTMVLYRLSA-N	2	1	440.631	5.609	1	10		IKCFMP
CN(C)c1ccc(C[N@H+](C)Cc2ccccc2CNc2cc[nH+]c3cc(Cl)ccc23)cc1	ZINC000072121466	563163881	/nfs/dbraw/zinc/16/38/81/563163881.db2.gz	WTIFQAKTZKFXFJ-UHFFFAOYSA-N	2	1	445.010	6.198	1	10		IKCFMP
CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2CNc2cc[nH+]c3cc(Cl)ccc23)cc1	ZINC000072121466	563163882	/nfs/dbraw/zinc/16/38/82/563163882.db2.gz	WTIFQAKTZKFXFJ-UHFFFAOYSA-N	2	1	445.010	6.198	1	10		IKCFMP