smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCNc1cc([C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1C	ZINC000218319742	257130393	/nfs/dbraw/zinc/13/03/93/257130393.db2.gz	AAAYKXHHZJFLKO-GOSISDBHSA-N	1	1	310.485	5.400	40	70		DKIBMO
CCCCNc1cc([C@H](C)[N@@H+](C)Cc2ccccc2)ccc1C	ZINC000218319827	257130676	/nfs/dbraw/zinc/13/06/76/257130676.db2.gz	AAAYKXHHZJFLKO-SFHVURJKSA-N	1	1	310.485	5.400	40	70		DKIBMO
CC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NC(C)C)c1	ZINC000218320664	257130603	/nfs/dbraw/zinc/13/06/03/257130603.db2.gz	KRTMIHYXURWRRQ-SFHVURJKSA-N	1	1	310.485	5.398	40	70		DKIBMO
CC[N@@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NC(C)C)c1	ZINC000218320747	257130704	/nfs/dbraw/zinc/13/07/04/257130704.db2.gz	KRTMIHYXURWRRQ-GOSISDBHSA-N	1	1	310.485	5.398	40	70		DKIBMO
CCCNc1cc([C@@H](C)[N@@H+](CC)Cc2ccccc2)ccc1C	ZINC000218320848	257130726	/nfs/dbraw/zinc/13/07/26/257130726.db2.gz	SAASKBLXPRINNW-GOSISDBHSA-N	1	1	310.485	5.400	40	70		DKIBMO
CCCNc1cc([C@H](C)[N@@H+](CC)Cc2ccccc2)ccc1C	ZINC000218320927	257130569	/nfs/dbraw/zinc/13/05/69/257130569.db2.gz	SAASKBLXPRINNW-SFHVURJKSA-N	1	1	310.485	5.400	40	70		DKIBMO
CCCCNc1cc([C@@H](C)[N@@H+](CC)Cc2ccccc2)ccc1C	ZINC000218321036	257130753	/nfs/dbraw/zinc/13/07/53/257130753.db2.gz	UDSRZQFTLWJADD-LJQANCHMSA-N	1	1	324.512	5.790	40	70		DKIBMO
CCCCNc1cc([C@H](C)[N@@H+](CC)Cc2ccccc2)ccc1C	ZINC000218321109	257130741	/nfs/dbraw/zinc/13/07/41/257130741.db2.gz	UDSRZQFTLWJADD-IBGZPJMESA-N	1	1	324.512	5.790	40	70		DKIBMO
CCC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NCC)c1	ZINC000218321785	257130815	/nfs/dbraw/zinc/13/08/15/257130815.db2.gz	XKURFLIWYBRJNX-SFHVURJKSA-N	1	1	310.485	5.400	40	70		DKIBMO
CCC[N@@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NCC)c1	ZINC000218321857	257130968	/nfs/dbraw/zinc/13/09/68/257130968.db2.gz	XKURFLIWYBRJNX-GOSISDBHSA-N	1	1	310.485	5.400	40	70		DKIBMO
CCC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NC(C)C)c1	ZINC000218321964	257130545	/nfs/dbraw/zinc/13/05/45/257130545.db2.gz	UZTAMQADKMMXON-IBGZPJMESA-N	1	1	324.512	5.789	40	70		DKIBMO
CCC[N@@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NC(C)C)c1	ZINC000218322038	257130872	/nfs/dbraw/zinc/13/08/72/257130872.db2.gz	UZTAMQADKMMXON-LJQANCHMSA-N	1	1	324.512	5.789	40	70		DKIBMO
CCCNc1cc([C@@H](C)[N@@H+](CCC)Cc2ccccc2)ccc1C	ZINC000218322135	257130759	/nfs/dbraw/zinc/13/07/59/257130759.db2.gz	MZVOWDACSAUXHE-LJQANCHMSA-N	1	1	324.512	5.790	40	70		DKIBMO
CCCNc1cc([C@H](C)[N@@H+](CCC)Cc2ccccc2)ccc1C	ZINC000218322198	257130954	/nfs/dbraw/zinc/13/09/54/257130954.db2.gz	MZVOWDACSAUXHE-IBGZPJMESA-N	1	1	324.512	5.790	40	70		DKIBMO
CCCC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NC)c1	ZINC000218322903	257130749	/nfs/dbraw/zinc/13/07/49/257130749.db2.gz	FLSACQFZEBPADA-SFHVURJKSA-N	1	1	310.485	5.400	40	70		DKIBMO
CCCC[N@@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NC)c1	ZINC000218322978	257130442	/nfs/dbraw/zinc/13/04/42/257130442.db2.gz	FLSACQFZEBPADA-GOSISDBHSA-N	1	1	310.485	5.400	40	70		DKIBMO
CCCC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(NCC)c1	ZINC000218323088	257130979	/nfs/dbraw/zinc/13/09/79/257130979.db2.gz	JSPKPHSQHFMXDE-IBGZPJMESA-N	1	1	324.512	5.790	40	70		DKIBMO
CCCC[N@@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(NCC)c1	ZINC000218323182	257130699	/nfs/dbraw/zinc/13/06/99/257130699.db2.gz	JSPKPHSQHFMXDE-LJQANCHMSA-N	1	1	324.512	5.790	40	70		DKIBMO