smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1cnn(-c2ccccc2)n1)N1CCC([N@H+]2CCC[C@@H]2COCc2ccccc2)CC1	ZINC000217599579	569449742	/nfs/dbraw/zinc/44/97/42/569449742.db2.gz	PELIXDDEMMEFJT-XMMPIXPASA-N	1	1	445.567	3.553	50	70		IHIAMO
Cn1nc(-c2ccc(Br)cc2)cc1C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000217742392	569452476	/nfs/dbraw/zinc/45/24/76/569452476.db2.gz	BWVRGYZEWUOEER-QFBILLFUSA-N	1	1	431.378	3.844	50	70	biogenic	IHIAMO
CC(=O)Nc1ccc(CC(=O)N2CCC([N@H+]3CCC[C@@H]3COCc3ccccc3)CC2)cc1	ZINC000217598681	569449726	/nfs/dbraw/zinc/44/97/26/569449726.db2.gz	SOFYKEDASHZDOP-AREMUKBSSA-N	1	1	449.595	3.860	50	70		IHIAMO
O=C(c1cc(-c2ccco2)n[nH]1)N1CCC([N@H+]2CCC[C@@H]2COCc2ccccc2)CC1	ZINC000217600340	569449763	/nfs/dbraw/zinc/44/97/63/569449763.db2.gz	LKKJSGBHYLSKSR-OAQYLSRUSA-N	1	1	434.540	3.956	50	70		IHIAMO
Cc1ccc(C(=O)Nc2ccc(SC[C@@H]3CCC[N@H+]4CCCC[C@H]34)nc2)c(=O)n1C	ZINC000217996651	569455645	/nfs/dbraw/zinc/45/56/45/569455645.db2.gz	VEVJAVPMWFYRRJ-FXAWDEMLSA-N	1	1	426.586	3.698	50	70	biogenic	IHIAMO
Cc1c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cnn1-c1ccc(Br)cc1	ZINC000217634173	569450661	/nfs/dbraw/zinc/45/06/61/569450661.db2.gz	ZENVVZXTOQNRNR-OXJNMPFZSA-N	1	1	431.378	3.938	50	70	biogenic	IHIAMO
O=C(c1cnn(-c2ccccc2)n1)N1CCC([N@H+]2CCC[C@H]2COCc2ccccc2)CC1	ZINC000217599496	569449746	/nfs/dbraw/zinc/44/97/46/569449746.db2.gz	PELIXDDEMMEFJT-DEOSSOPVSA-N	1	1	445.567	3.553	50	70		IHIAMO
O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC([NH+]2CCC(Oc3nccs3)CC2)CC1	ZINC000217592957	569449658	/nfs/dbraw/zinc/44/96/58/569449658.db2.gz	DACHHMFORLFKSE-UHFFFAOYSA-N	1	1	437.569	3.681	50	70		IHIAMO
COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000218286350	557187905	/nfs/dbraw/zinc/18/79/05/557187905.db2.gz	VIBCNWRHNKWSSN-KRWDZBQOSA-N	1	1	437.439	3.628	50	70		IHIAMO
CC(=O)Nc1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H]3COCc3ccccc3)CC2)cc1	ZINC000217599087	569449771	/nfs/dbraw/zinc/44/97/71/569449771.db2.gz	NNRJNHCLJDDZCI-RUZDIDTESA-N	1	1	435.568	3.931	50	70		IHIAMO
O=C(c1cc(-c2ccco2)n[nH]1)N1CCC([N@H+]2CCC[C@H]2COCc2ccccc2)CC1	ZINC000217600264	569449804	/nfs/dbraw/zinc/44/98/04/569449804.db2.gz	LKKJSGBHYLSKSR-NRFANRHFSA-N	1	1	434.540	3.956	50	70		IHIAMO
O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)Nc1ccc(Br)cc1F	ZINC000218261038	557185791	/nfs/dbraw/zinc/18/57/91/557185791.db2.gz	AEONSCYHJFRLQP-UHFFFAOYSA-N	1	1	439.281	3.545	50	70		IHIAMO
CC(=O)Nc1ccc(C(=O)N2CCC([N@H+]3CCC[C@H]3COCc3ccccc3)CC2)cc1	ZINC000217599170	569449799	/nfs/dbraw/zinc/44/97/99/569449799.db2.gz	NNRJNHCLJDDZCI-VWLOTQADSA-N	1	1	435.568	3.931	50	70		IHIAMO
CC(=O)Nc1ccc(CC(=O)N2CCC([N@H+]3CCC[C@H]3COCc3ccccc3)CC2)cc1	ZINC000217598771	569449744	/nfs/dbraw/zinc/44/97/44/569449744.db2.gz	SOFYKEDASHZDOP-SANMLTNESA-N	1	1	449.595	3.860	50	70		IHIAMO
COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O	ZINC000218286286	557187818	/nfs/dbraw/zinc/18/78/18/557187818.db2.gz	VIBCNWRHNKWSSN-QGZVFWFLSA-N	1	1	437.439	3.628	50	70		IHIAMO