smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc2c(c1)[nH+]c1cc(N(C)C)ccc1c2SCC(=O)Nc1ccc(NS(C)(=O)=O)cc1	ZINC000005485908	552502989	/nfs/dbraw/zinc/50/29/89/552502989.db2.gz	FQPPFWRDHMBAPF-UHFFFAOYSA-N	1	0	523.684	4.622	40	5		KJBBRO
CC[NH+](CC)CCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(OC)ccc2OC)cs1	ZINC000006511255	552597212	/nfs/dbraw/zinc/59/72/12/552597212.db2.gz	VTXCQRJHULLHDP-UHFFFAOYSA-N	1	0	528.631	4.879	40	5		KJBBRO
CC[NH+](CC)CCCN(C(=O)COc1ccccc1[N+](=O)[O-])c1nc(-c2cc(OC)ccc2OC)cs1	ZINC000006511257	552597221	/nfs/dbraw/zinc/59/72/21/552597221.db2.gz	NRSLULVJKDHKGW-UHFFFAOYSA-N	1	0	528.631	4.879	40	5		KJBBRO
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)(C)C[N@H+](C)Cc2ccccc2)[C@H]1c1cc([N+](=O)[O-])ccc1F	ZINC000040454298	554286331	/nfs/dbraw/zinc/28/63/31/554286331.db2.gz	MUNSLZPCNUVWCH-SANMLTNESA-N	1	0	539.604	4.843	40	5	in-man	KJBBRO
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)(C)C[N@H+](C)Cc2ccccc2)[C@@H]1c1cc([N+](=O)[O-])ccc1F	ZINC000040454300	554286343	/nfs/dbraw/zinc/28/63/43/554286343.db2.gz	MUNSLZPCNUVWCH-AREMUKBSSA-N	1	0	539.604	4.843	40	5	in-man	KJBBRO
Cc1cccc(C)c1-n1c2nc3ccccc3n2c2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncc2c1=O	ZINC000053214756	554330146	/nfs/dbraw/zinc/33/01/46/554330146.db2.gz	BHJJWVDKNXABFS-UHFFFAOYSA-N	1	0	530.636	4.694	40	5	in-vitro	KJBBRO
CC1=C[C@@H](C[NH+]2CCN(c3cnccn3)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000067890466	1067210045	/nfs/dbraw/zinc/21/00/45/1067210045.db2.gz	PRZKRIJUILHOHJ-LSQMVHIFSA-N	1	0	517.634	4.654	40	5	biogenic,in-vitro	KJBBRO
O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000105318479	571400813	/nfs/dbraw/zinc/40/08/13/571400813.db2.gz	JIDWWMYPGPUPMR-UHFFFAOYSA-N	1	0	544.681	4.644	40	5		KJBBRO
C[NH+](C)CCCNc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329069094	572152018	/nfs/dbraw/zinc/15/20/18/572152018.db2.gz	YUVGCMXCZRGFNA-UHFFFAOYSA-N	1	0	510.904	4.555	40	5		KJBBRO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)COc1ccc2c3ccnc4c3n(c2c1)c(=O)c1c4ccc(OC)c1OC	ZINC000524732124	1066469324	/nfs/dbraw/zinc/46/93/24/1066469324.db2.gz	YNUWKVUMUNAHLU-WXVAWEFUSA-N	1	0	612.727	4.727	40	5		KJBBRO
COc1ccc2c3nccc4c5ccc(OCC(=O)N(C)C[C@@H]6CCC[N@@H+]7CCCC[C@H]67)cc5n(c43)c(=O)c2c1OC	ZINC000524732250	1066469294	/nfs/dbraw/zinc/46/92/94/1066469294.db2.gz	VPYZPUCQLQGXCR-NBGIEHNGSA-N	1	0	568.674	4.711	40	5		KJBBRO
O=C(NCc1ccccc1)c1c(N[N+](=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C(=O)NCc2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000585163042	1066376009	/nfs/dbraw/zinc/37/60/09/1066376009.db2.gz	AYUYLIIXQGFTCK-UHFFFAOYSA-O	1	0	645.521	4.617	40	5		KJBBRO
CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)COc1ccc2c3ccnc4c3n(c2c1)c(=O)c1ccccc14	ZINC000604404198	1066480645	/nfs/dbraw/zinc/48/06/45/1066480645.db2.gz	KZVNIZTVCOCYDS-RXFWQSSRSA-N	1	0	508.622	4.694	40	5		KJBBRO
COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)COc1ccc2c3ccnc4c3n(c2c1)c(=O)c1ccccc14	ZINC000604406065	1066480679	/nfs/dbraw/zinc/48/06/79/1066480679.db2.gz	ZUXXAQYJZMRICR-RBISFHTESA-N	1	0	552.675	4.710	40	5		KJBBRO