smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1ccccc1C[N@@H+]1C[C@H](Sc2nccn2C)C[C@H]1C(=O)N1CCC[NH+](C)CC1	ZINC000012245085	519072978	/nfs/dbraw/zinc/07/29/78/519072978.db2.gz	ROTKVCFJOARZRG-YADHBBJMSA-N	2	2	469.655	2.884	50	30		JFEALP
C=CCOc1ccccc1C[N@H+]1C[C@H](Sc2nccn2C)C[C@H]1C(=O)N1CCC[NH+](C)CC1	ZINC000012245085	519072982	/nfs/dbraw/zinc/07/29/82/519072982.db2.gz	ROTKVCFJOARZRG-YADHBBJMSA-N	2	2	469.655	2.884	50	30		JFEALP
C=CCOc1ccccc1C[NH+]1C[C@H](Sc2nccn2C)C[C@H]1C(=O)N1CCC[N@H+](C)CC1	ZINC000012245085	519072988	/nfs/dbraw/zinc/07/29/88/519072988.db2.gz	ROTKVCFJOARZRG-YADHBBJMSA-N	2	2	469.655	2.884	50	30		JFEALP
C=CCOc1ccccc1C[NH+]1C[C@H](Sc2nccn2C)C[C@H]1C(=O)N1CCC[N@@H+](C)CC1	ZINC000012245085	519072993	/nfs/dbraw/zinc/07/29/93/519072993.db2.gz	ROTKVCFJOARZRG-YADHBBJMSA-N	2	2	469.655	2.884	50	30		JFEALP
C#CCn1c2cc(OC)ccc2cc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)OCC)C3)CC2)c1=O	ZINC000014952821	518341842	/nfs/dbraw/zinc/34/18/42/518341842.db2.gz	XDEJRFCQSVKNRA-OAQYLSRUSA-N	2	2	465.594	2.883	50	30		JFEALP
C#CCn1c2cc(OC)ccc2cc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)OCC)C3)CC2)c1=O	ZINC000014952821	518341849	/nfs/dbraw/zinc/34/18/49/518341849.db2.gz	XDEJRFCQSVKNRA-OAQYLSRUSA-N	2	2	465.594	2.883	50	30		JFEALP
NC(=[NH+]OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(C[NH+]2CCCCC2)c1	ZINC000062587397	569612006	/nfs/dbraw/zinc/61/20/06/569612006.db2.gz	UJMSXYIUSGWEMY-UHFFFAOYSA-N	2	2	499.637	2.733	50	30		JFEALP
C#CCn1c2cc(OC)ccc2cc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)OCC)C3)CC2)c1=O	ZINC000014952826	518342117	/nfs/dbraw/zinc/34/21/17/518342117.db2.gz	XDEJRFCQSVKNRA-NRFANRHFSA-N	2	2	465.594	2.883	50	30		JFEALP
C#CCn1c2cc(OC)ccc2cc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)OCC)C3)CC2)c1=O	ZINC000014952826	518342120	/nfs/dbraw/zinc/34/21/20/518342120.db2.gz	XDEJRFCQSVKNRA-NRFANRHFSA-N	2	2	465.594	2.883	50	30		JFEALP
Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)NCCC[NH+]3CCN(C)CC3)cc12	ZINC000022932049	555984947	/nfs/dbraw/zinc/98/49/47/555984947.db2.gz	AXFZHCWYAXFSPB-UHFFFAOYSA-N	2	2	455.676	2.630	50	30		JFEALP