smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1ccnc1-c1nccnc1[C@@H]1CCCN(c2cccc[nH+]2)C1	ZINC000257218598	202953959	/nfs/dbraw/zinc/95/39/59/202953959.db2.gz	DDTIGOXCVLKGKH-CQSZACIVSA-N	1	2	320.400	2.656	40	10		DFCBLO
Oc1ccc([C@H]2Nc3cc(Cl)ccc3C3=[NH+]CCN32)cc1O	ZINC000012188536	280452473	/nfs/dbraw/zinc/45/24/73/280452473.db2.gz	XJSPUMVDUSENAF-HNNXBMFYSA-N	1	2	315.760	2.938	40	10		DFCBLO
Cn1ccnc1-c1nccnc1[C@H]1CCCN(c2cccc[nH+]2)C1	ZINC000257218597	427312161	/nfs/dbraw/zinc/31/21/61/427312161.db2.gz	DDTIGOXCVLKGKH-AWEZNQCLSA-N	1	2	320.400	2.656	40	10		DFCBLO
COc1ccc([C@H](c2cc3c(cc2O)OCO3)n2cc[nH+]c2)cc1	ZINC000005479120	181247879	/nfs/dbraw/zinc/24/78/79/181247879.db2.gz	SLZWZNUKPMKGCR-GOSISDBHSA-N	1	2	324.336	2.964	40	10	in-vivo	DFCBLO
O=C1/C(=C/c2ccccc2)SC(=S)N1Cn1cc[nH+]c1	ZINC000013233795	425751337	/nfs/dbraw/zinc/75/13/37/425751337.db2.gz	VCIZWFGOVNXXJT-WQLSENKSSA-N	1	2	301.396	2.742	40	10		DFCBLO
COc1ccc(N(C)CCNC(=S)Nc2cc[nH+]cc2)cc1	ZINC000225799537	426611577	/nfs/dbraw/zinc/61/15/77/426611577.db2.gz	NLCLHKCKRFCJKZ-UHFFFAOYSA-N	1	2	316.430	2.513	40	10		DFCBLO
CCN1C(=O)C(=C2C=C(C)[NH+](CCCO)C(C)=C2)SC1=S	ZINC000584906269	398431467	/nfs/dbraw/zinc/43/14/67/398431467.db2.gz	MZDDPPGWNZNFHJ-UHFFFAOYSA-N	1	2	324.471	2.626	40	10		DFCBLO
COc1ccc([C@@H](c2cc3c(cc2O)OCO3)n2cc[nH+]c2)cc1	ZINC000005503217	181250482	/nfs/dbraw/zinc/25/04/82/181250482.db2.gz	SLZWZNUKPMKGCR-SFHVURJKSA-N	1	2	324.336	2.964	40	10	in-vivo	DFCBLO
CCNc1nc(Nc2cc(Cl)ccc2O)cc(C2CC2)[nH+]1	ZINC000329058373	427034785	/nfs/dbraw/zinc/03/47/85/427034785.db2.gz	WCJBQJPGWAOTAT-UHFFFAOYSA-N	1	2	304.781	2.732	40	10		DFCBLO
CCN1CCCc2cc(C[N@H+](C)Cc3nonc3C)ccc21	ZINC000019659219	425789520	/nfs/dbraw/zinc/78/95/20/425789520.db2.gz	OKDLVOXRABBWDE-UHFFFAOYSA-N	1	2	300.406	2.783	40	10		DFCBLO
CCN1CCCc2cc(C[N@@H+](C)Cc3nonc3C)ccc21	ZINC000019659219	425789523	/nfs/dbraw/zinc/78/95/23/425789523.db2.gz	OKDLVOXRABBWDE-UHFFFAOYSA-N	1	2	300.406	2.783	40	10		DFCBLO
COc1ccc([NH+]2CCC(N(C)C(=O)[C@H](C)SC)CC2)cc1	ZINC000079335667	185165572	/nfs/dbraw/zinc/16/55/72/185165572.db2.gz	FQWAICJLCUNBOI-ZDUSSCGKSA-N	1	2	322.474	2.874	40	10		DFCBLO
C[NH+]1CCN(C2=NC(=O)/C(=C\c3ccc(Cl)cc3)S2)CC1	ZINC000033280118	282943039	/nfs/dbraw/zinc/94/30/39/282943039.db2.gz	VVXXHGFEFVWBLH-JLHYYAGUSA-N	1	2	321.833	2.558	40	10		DFCBLO
Cc1cc(C)c(O)c(C[N@H+](C)CN2C(=O)c3ccccc3C2=O)c1	ZINC000031666704	425835780	/nfs/dbraw/zinc/83/57/80/425835780.db2.gz	BFYTWNSFIQEDNC-UHFFFAOYSA-N	1	2	324.380	2.695	40	10		DFCBLO
Cc1cc(C)c(O)c(C[N@@H+](C)CN2C(=O)c3ccccc3C2=O)c1	ZINC000031666704	425835782	/nfs/dbraw/zinc/83/57/82/425835782.db2.gz	BFYTWNSFIQEDNC-UHFFFAOYSA-N	1	2	324.380	2.695	40	10		DFCBLO
Oc1ccc(Cl)cc1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1	ZINC000329016819	427028005	/nfs/dbraw/zinc/02/80/05/427028005.db2.gz	NHWWJBRTMLUCBW-UHFFFAOYSA-N	1	2	316.792	2.875	40	10		DFCBLO
Oc1ccc([C@@H]2Nc3cc(Cl)ccc3C3=[NH+]CCN32)cc1O	ZINC000012188535	296591683	/nfs/dbraw/zinc/59/16/83/296591683.db2.gz	XJSPUMVDUSENAF-OAHLLOKOSA-N	1	2	315.760	2.938	40	10		DFCBLO
C[N@@H+]1C=C2C=C(O)C(=O)C=C2c2ccc3cc(O)c(O)cc3c21	ZINC000001731313	425587793	/nfs/dbraw/zinc/58/77/93/425587793.db2.gz	YTMNPVQJHWPSQJ-UHFFFAOYSA-O	1	2	308.313	2.793	40	10		DFCBLO
C[N@H+]1C=C2C=C(O)C(=O)C=C2c2ccc3cc(O)c(O)cc3c21	ZINC000001731313	425587796	/nfs/dbraw/zinc/58/77/96/425587796.db2.gz	YTMNPVQJHWPSQJ-UHFFFAOYSA-O	1	2	308.313	2.793	40	10		DFCBLO
COc1ccc([NH+]2CCC(N(C)C(=O)[C@@H](C)SC)CC2)cc1	ZINC000079335668	185165547	/nfs/dbraw/zinc/16/55/47/185165547.db2.gz	FQWAICJLCUNBOI-CYBMUJFWSA-N	1	2	322.474	2.874	40	10		DFCBLO