smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc(Br)c3O)C2=O)n(C)n1	ZINC000173851872	644362205	/nfs/dbraw/zinc/36/22/05/644362205.db2.gz	PMASTGCGZWGOBF-AWEZNQCLSA-N	1	1	393.285	2.482	10	10		GECEMO
CCOc1cccc(C[N@@H+](C)CCn2cc(C(=O)N3CCCCC3)nn2)c1O	ZINC000011910301	204360532	/nfs/dbraw/zinc/36/05/32/204360532.db2.gz	PNUAUFNNXKUEGR-UHFFFAOYSA-N	1	1	387.484	2.141	10	10		GECEMO
CC[C@H]1CN(Cc2cc(Br)cc(OC)c2O)CC[N@H+]1C[C@@H](C)O	ZINC000120692201	643622863	/nfs/dbraw/zinc/62/28/63/643622863.db2.gz	NWTZAYFUWYUFLY-DOMZBBRYSA-N	1	1	387.318	2.440	10	10		GECEMO
CC[C@@H]1CN(Cc2cc(Br)cc(OC)c2O)CC[N@H+]1C[C@H](C)O	ZINC000245751277	645467620	/nfs/dbraw/zinc/46/76/20/645467620.db2.gz	NWTZAYFUWYUFLY-SWLSCSKDSA-N	1	1	387.318	2.440	10	10		GECEMO
C[NH+]1CCN(c2ccc(CNC(=O)c3[nH]ncc3-c3cccc(O)c3)cc2)CC1	ZINC000114914271	536421335	/nfs/dbraw/zinc/42/13/35/536421335.db2.gz	KOSOLQBEGHIVGZ-UHFFFAOYSA-N	1	1	391.475	2.464	10	10		GECEMO
COc1cc(Br)cc(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1O	ZINC000180225707	532262202	/nfs/dbraw/zinc/26/22/02/532262202.db2.gz	JZVIHHBOVWSCNI-DOMZBBRYSA-N	1	1	385.302	2.316	10	10		GECEMO
COc1cc(Br)cc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1O	ZINC000245732020	532523977	/nfs/dbraw/zinc/52/39/77/532523977.db2.gz	JZVIHHBOVWSCNI-IUODEOHRSA-N	1	1	385.302	2.316	10	10		GECEMO
C[C@@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C[C@H](C(N)=O)O1	ZINC000120246115	643596720	/nfs/dbraw/zinc/59/67/20/643596720.db2.gz	OXHMOXDGXQCQRX-QLJPJBMISA-N	1	1	379.254	2.383	10	10		GECEMO
COc1cc(Br)cc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1O	ZINC000180225726	532261748	/nfs/dbraw/zinc/26/17/48/532261748.db2.gz	JZVIHHBOVWSCNI-WFASDCNBSA-N	1	1	385.302	2.316	10	10		GECEMO
Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(Br)c3O)C2=O)n(C)n1	ZINC000173851888	644362149	/nfs/dbraw/zinc/36/21/49/644362149.db2.gz	PMASTGCGZWGOBF-CQSZACIVSA-N	1	1	393.285	2.482	10	10		GECEMO
CC[C@H]1CN(Cc2cc(Br)cc(OC)c2O)CC[N@H+]1C[C@H](C)O	ZINC000245751279	645467606	/nfs/dbraw/zinc/46/76/06/645467606.db2.gz	NWTZAYFUWYUFLY-WFASDCNBSA-N	1	1	387.318	2.440	10	10		GECEMO
CCCNC(=O)c1coc(CN2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1	ZINC000034678135	570294582	/nfs/dbraw/zinc/29/45/82/570294582.db2.gz	NHNIVHCFLDWFBC-UHFFFAOYSA-N	1	1	385.512	2.198	10	10		GECEMO
C[C@@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C[C@@H](C(N)=O)O1	ZINC000120246290	643596632	/nfs/dbraw/zinc/59/66/32/643596632.db2.gz	OXHMOXDGXQCQRX-HWPZZCPQSA-N	1	1	379.254	2.383	10	10		GECEMO
COc1cc(Br)cc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1O	ZINC000245732022	532523093	/nfs/dbraw/zinc/52/30/93/532523093.db2.gz	JZVIHHBOVWSCNI-SWLSCSKDSA-N	1	1	385.302	2.316	10	10		GECEMO
COc1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)NCC(C)C)nn3)C2)c(O)c1	ZINC000012040177	221145098	/nfs/dbraw/zinc/14/50/98/221145098.db2.gz	VAKWYBNYXCGFAS-INIZCTEOSA-N	1	1	387.484	2.215	10	10		GECEMO
COc1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)NCC(C)C)nn3)C2)c(O)c1	ZINC000012040172	221144963	/nfs/dbraw/zinc/14/49/63/221144963.db2.gz	VAKWYBNYXCGFAS-MRXNPFEDSA-N	1	1	387.484	2.215	10	10		GECEMO
CC[C@@H]1CN(Cc2cc(Br)cc(OC)c2O)CC[N@H+]1C[C@@H](C)O	ZINC000120692051	643622799	/nfs/dbraw/zinc/62/27/99/643622799.db2.gz	NWTZAYFUWYUFLY-IUODEOHRSA-N	1	1	387.318	2.440	10	10		GECEMO