smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccccc1[C@@H]1N2CCc3c4ccccc4[nH]c3[C@H]2[C@H]2CCCC[N@@H+]21	ZINC000019321919	210240030	/nfs/dbraw/zinc/24/00/30/210240030.db2.gz	CLPYZIKKIHOWQZ-MZYLBHOOSA-N	1	1	388.471	4.542	1	5		GJBFMO
O=[N+]([O-])c1ccccc1[C@@H]1N2CCc3c4ccccc4[nH]c3[C@H]2[C@H]2CCCC[N@H+]21	ZINC000019321919	210240032	/nfs/dbraw/zinc/24/00/32/210240032.db2.gz	CLPYZIKKIHOWQZ-MZYLBHOOSA-N	1	1	388.471	4.542	1	5		GJBFMO
Cc1c2c3cc(O)ccc3n(C)c2c(C)c2ccnc(NCCC[NH+](C)C)c12	ZINC000029546290	210547384	/nfs/dbraw/zinc/54/73/84/210547384.db2.gz	HAXZJVNGSUXYCM-UHFFFAOYSA-N	1	1	376.504	4.566	1	5		GJBFMO
COc1ccc2c(c1)[NH+]=C1CS[C@@H](c3cc([N+](=O)[O-])ccc3Cl)N1C2	ZINC000006019825	204161846	/nfs/dbraw/zinc/16/18/46/204161846.db2.gz	FJLHYKWVDCEEHV-KRWDZBQOSA-N	1	1	375.837	4.548	1	5		GJBFMO
CCc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2[C@@H](O)[C@H]2CCC[N@H+]2C1	ZINC000066259905	211002145	/nfs/dbraw/zinc/00/21/45/211002145.db2.gz	HQLMQXGIZHMQJJ-YKSBVNFPSA-N	1	1	377.484	4.584	1	5		GJBFMO
Cn1c2ccccc2c2c1nc1ccc(Cl)cc1c2N1CCC[N@@H+](C)CC1	ZINC000084687223	205399683	/nfs/dbraw/zinc/39/96/83/205399683.db2.gz	BMOVADJLKMAVPB-UHFFFAOYSA-N	1	1	378.907	4.675	1	5		GJBFMO
CCCC[N@@H+]1Cc2c3cc(OC)c(OC)cc3c3cc(OC)ccc3c2[C@H](O)C1	ZINC000095574556	208235195	/nfs/dbraw/zinc/23/51/95/208235195.db2.gz	UNIRICALLXCIJL-OAQYLSRUSA-N	1	1	395.499	4.668	1	5		GJBFMO
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1OC)C[N@H+]1CCC[C@H]1C3	ZINC000038796306	560086040	/nfs/dbraw/zinc/08/60/40/560086040.db2.gz	ZRGRTHUWZSWRSQ-AWEZNQCLSA-N	1	1	393.483	4.548	1	5	biogenic,in-vitro	GJBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[C@H]2CCCC[N@@H+]2C1	ZINC000013378557	206262896	/nfs/dbraw/zinc/26/28/96/206262896.db2.gz	ANTGAFQZQJMDNP-OAHLLOKOSA-N	1	1	377.484	4.929	1	5		GJBFMO
COc1cc2c3cc(OC)c(OC)cc3c3c(c2cc1OC)CC[N@@H+](C(C)C)C3	ZINC000072317695	222226397	/nfs/dbraw/zinc/22/63/97/222226397.db2.gz	YIPIINKKAYVXRA-UHFFFAOYSA-N	1	1	395.499	4.794	1	5		GJBFMO
COc1ccc2c(c1)[NH+]=C1CS[C@H](c3c(Cl)cccc3[N+](=O)[O-])N1C2	ZINC000001865078	206393250	/nfs/dbraw/zinc/39/32/50/206393250.db2.gz	NETABVDJINAVFY-QGZVFWFLSA-N	1	1	375.837	4.548	1	5		GJBFMO
O=[N+]([O-])c1cccc([C@@H]2N3CCc4c5ccccc5[nH]c4[C@H]3[C@H]3CCCC[N@@H+]32)c1	ZINC000019318911	207114911	/nfs/dbraw/zinc/11/49/11/207114911.db2.gz	IFTOJBGVZHGMAL-MZYLBHOOSA-N	1	1	388.471	4.542	1	5		GJBFMO
O=[N+]([O-])c1cccc([C@@H]2N3CCc4c5ccccc5[nH]c4[C@H]3[C@H]3CCCC[N@H+]32)c1	ZINC000019318911	207114914	/nfs/dbraw/zinc/11/49/14/207114914.db2.gz	IFTOJBGVZHGMAL-MZYLBHOOSA-N	1	1	388.471	4.542	1	5		GJBFMO
CCc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2[C@H](O)[C@@H]2CCC[N@H+]2C1	ZINC000066259904	222139698	/nfs/dbraw/zinc/13/96/98/222139698.db2.gz	HQLMQXGIZHMQJJ-GBXCKJPGSA-N	1	1	377.484	4.584	1	5		GJBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[C@@H]2CCCC[N@@H+]2C1	ZINC000013378556	560215779	/nfs/dbraw/zinc/21/57/79/560215779.db2.gz	ANTGAFQZQJMDNP-HNNXBMFYSA-N	1	1	377.484	4.929	1	5	biogenic,in-vitro	GJBFMO
CCOc1cc2c3cc(O)ccc3c3c(c2cc1OCC)C[N@@H+]1CCC[C@H]1[C@H]3O	ZINC000066259525	222139124	/nfs/dbraw/zinc/13/91/24/222139124.db2.gz	QPVURBGIVVOVFI-GBXCKJPGSA-N	1	1	393.483	4.507	1	5		GJBFMO