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(NCCCC[N@@H+]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1)c1cccc(-c2ccccc2)c1	ZINC000042784589	562087753	/nfs/dbraw/zinc/08/77/53/562087753.db2.gz	DIRSMSWHIVFUOZ-UHFFFAOYSA-N	1	1	532.584	5.150	1	70		KKIFMO
CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C	ZINC000160673886	562849030	/nfs/dbraw/zinc/84/90/30/562849030.db2.gz	DUEWLUKXNJMYIL-MNUHXLGESA-N	1	1	766.980	7.800	3	70		KKIFMO
CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C	ZINC000160938076	562849106	/nfs/dbraw/zinc/84/91/06/562849106.db2.gz	DCJXJZRHLYXSCU-RVQIHLDWSA-N	1	1	654.896	5.478	1	70		KKIFMO
CC(C)[C@@H]1NC(=O)c2cc3ccccc3cc2OCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O	ZINC000160937475	562849103	/nfs/dbraw/zinc/84/91/03/562849103.db2.gz	ZABNQKMXHNVFGT-JAJWOXGNSA-N	1	1	726.959	5.639	1	70		KKIFMO
COc1ccc([NH+]=C(C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)C)cc2C)[C@H](CO[SiH](C)C)CC(C)C)c(OC)c1	ZINC000299846090	562889638	/nfs/dbraw/zinc/88/96/38/562889638.db2.gz	ICSSMIHYNYPFIA-MHZLTWQESA-N	1	1	640.894	6.587	1	70		KKIFMO
Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc(OS(=O)(=O)C(F)(F)F)c(N5CC[NH+](C)CC5)c4)cc3)c(C)c2)no1	ZINC000036089146	562046739	/nfs/dbraw/zinc/04/67/39/562046739.db2.gz	PGZMFZSVWPPODZ-UHFFFAOYSA-N	1	1	615.634	5.253	1	70		KKIFMO
CCC[N@@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2c(cccc2OS(=O)(=O)C(F)(F)F)C1	ZINC000014299684	561739442	/nfs/dbraw/zinc/73/94/42/561739442.db2.gz	ASINOPIKMGWLQS-HHHXNRCGSA-N	1	1	588.692	6.362	1	70		KKIFMO
Cc1nnc(-c2ccc(-c3ccc(C(=O)NCCCC[N@H+]4CCc5ccc(OS(=O)(=O)C(F)(F)F)cc5C4)cc3)cc2)o1	ZINC000043649668	562650658	/nfs/dbraw/zinc/65/06/58/562650658.db2.gz	OXRRNHYMIXLDFY-UHFFFAOYSA-N	1	1	614.646	5.509	1	70		KKIFMO
Cc1[nH]c(/C=C2\C(=O)Nc3c2cccc3-c2csc(-c3ccccc3)n2)c(C)c1C(=O)N1CC[NH+](C)CC1	ZINC000218196356	562877840	/nfs/dbraw/zinc/87/78/40/562877840.db2.gz	KLANLBXARIECSL-KQWNVCNZSA-N	1	1	523.662	5.302	1	70		KKIFMO
COc1ccc([NH+]=C(C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)C)cc2C)[C@@H](CO[SiH](C)C)CC(C)C)c(OC)c1	ZINC000299846089	562889622	/nfs/dbraw/zinc/88/96/22/562889622.db2.gz	ICSSMIHYNYPFIA-HHHXNRCGSA-N	1	1	640.894	6.587	1	70		KKIFMO
CC1(C)CC[C@]2(C(=O)NCCC[NH+]3CCOCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnoc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000218089031	562877816	/nfs/dbraw/zinc/87/78/16/562877816.db2.gz	PWEWOIQZTIVNJQ-RXLVGJJOSA-N	1	1	605.908	7.329	1	70		KKIFMO
CCC[N@@H+](CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)ccc(OS(=O)(=O)C(F)(F)F)c2C1	ZINC000036187813	562050901	/nfs/dbraw/zinc/05/09/01/562050901.db2.gz	WRNGQBSCUWORIS-LJQANCHMSA-N	1	1	576.653	5.113	1	70		KKIFMO
Cc1cc(C(=O)NCCCC[N@H+]2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)ccc1-c1ccccc1	ZINC000042784686	562087744	/nfs/dbraw/zinc/08/77/44/562087744.db2.gz	JTAWXZPSQGLYQG-UHFFFAOYSA-N	1	1	546.611	5.459	1	70		KKIFMO
O=C(NCCCC[N@@H+]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1)c1ccc(-c2ccc(N3CCCC3=O)cc2)cc1	ZINC000043692901	562650772	/nfs/dbraw/zinc/65/07/72/562650772.db2.gz	LQMXUNHATCSENV-UHFFFAOYSA-N	1	1	615.674	5.277	1	70		KKIFMO
CCC[N@@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2c(cccc2OS(=O)(=O)C(F)(F)F)C1	ZINC000014299685	561739512	/nfs/dbraw/zinc/73/95/12/561739512.db2.gz	ASINOPIKMGWLQS-MHZLTWQESA-N	1	1	588.692	6.362	1	70		KKIFMO
O=C(/C=C/c1ccc2ccccc2c1)NCCCC[N@@H+]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	ZINC000043099978	562645933	/nfs/dbraw/zinc/64/59/33/562645933.db2.gz	YFRPYRGBQBMLTB-XYOKQWHBSA-N	1	1	532.584	5.036	1	70		KKIFMO
CC(=O)c1ccc(-c2ccc(C(=O)NCCCC[N@H+]3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)cc2)cc1	ZINC000044005114	562651384	/nfs/dbraw/zinc/65/13/84/562651384.db2.gz	JBETURIRTKWRDW-UHFFFAOYSA-N	1	1	574.621	5.353	1	70		KKIFMO
C[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(-c2c(OS(=O)(=O)C(F)(F)F)cccc2OS(=O)(=O)C(F)(F)F)c1-3	ZINC000036248252	562052342	/nfs/dbraw/zinc/05/23/42/562052342.db2.gz	PNFSZBQKXYOEES-GOSISDBHSA-N	1	1	607.550	5.563	1	70		KKIFMO
Cc1ccccc1-c1ccc(C(=O)NCCCC[N@H+]2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1	ZINC000042784631	562087750	/nfs/dbraw/zinc/08/77/50/562087750.db2.gz	ZLRJVNFLDHERMS-UHFFFAOYSA-N	1	1	546.611	5.459	1	70		KKIFMO
CCC[N@@H+](CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1CCc2c(F)ccc(OS(=O)(=O)C(F)(F)F)c2C1	ZINC000036187817	562050913	/nfs/dbraw/zinc/05/09/13/562050913.db2.gz	WRNGQBSCUWORIS-IBGZPJMESA-N	1	1	576.653	5.113	1	70		KKIFMO