smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(-n2c(C)cc(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)c2C)cc1	ZINC000048367950	568442147	/nfs/dbraw/zinc/44/21/47/568442147.db2.gz	FTXKKXVOMYNGBM-UHFFFAOYSA-N	2	2	418.585	4.642	50	10		HJCALP
CCOC(=O)c1c(CSC[NH+](CC)CC)oc2ccc(O)c(C[NH+](CC)CC)c21	ZINC000004311423	568960821	/nfs/dbraw/zinc/96/08/21/568960821.db2.gz	VREMIDPOHMCPKR-UHFFFAOYSA-N	2	2	422.591	4.689	50	10		HJCALP
CCCCc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524730717	569051618	/nfs/dbraw/zinc/05/16/18/569051618.db2.gz	UETDCFQGTNLMSA-SIKLNZKXSA-N	2	2	412.574	4.538	50	10	biogenic	HJCALP
CCCCc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524730717	569051619	/nfs/dbraw/zinc/05/16/19/569051619.db2.gz	UETDCFQGTNLMSA-SIKLNZKXSA-N	2	2	412.574	4.538	50	10	biogenic	HJCALP
CCCCc1cc(=O)oc2c1ccc(O)c2C[NH+](C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000524730717	569051620	/nfs/dbraw/zinc/05/16/20/569051620.db2.gz	UETDCFQGTNLMSA-SIKLNZKXSA-N	2	2	412.574	4.538	50	10	biogenic	HJCALP
CCCCc1cc(=O)oc2c1ccc(O)c2C[NH+](C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000524730717	569051621	/nfs/dbraw/zinc/05/16/21/569051621.db2.gz	UETDCFQGTNLMSA-SIKLNZKXSA-N	2	2	412.574	4.538	50	10	biogenic	HJCALP
CC[N@H+](CCOC(C)=O)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O	ZINC000071767098	558910694	/nfs/dbraw/zinc/91/06/94/558910694.db2.gz	ISJKZHTYUPOZRU-UHFFFAOYSA-N	2	2	413.905	4.722	50	10		HJCALP
CC[N@@H+](CCOC(C)=O)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O	ZINC000071767098	558910696	/nfs/dbraw/zinc/91/06/96/558910696.db2.gz	ISJKZHTYUPOZRU-UHFFFAOYSA-N	2	2	413.905	4.722	50	10		HJCALP
CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cc(Br)ccc2O)CC1	ZINC000004703476	557584300	/nfs/dbraw/zinc/58/43/00/557584300.db2.gz	HSRJUIYSYAXNIE-UHFFFAOYSA-N	2	2	403.364	4.641	50	10		HJCALP
CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cc(Br)ccc2O)CC1	ZINC000004703476	557584302	/nfs/dbraw/zinc/58/43/02/557584302.db2.gz	HSRJUIYSYAXNIE-UHFFFAOYSA-N	2	2	403.364	4.641	50	10		HJCALP
Oc1ccc2ccccc2c1CNc1[nH+]c2ccccc2n1CC[NH+]1CCCCC1	ZINC000004618666	568934192	/nfs/dbraw/zinc/93/41/92/568934192.db2.gz	DQWHCOXMAXWGGV-UHFFFAOYSA-N	2	2	400.526	4.993	50	10		HJCALP
COc1ccc(O)c(C[N@@H+](Cc2cccnc2)C[C@@H]2CCC[NH+](C3CCCCC3)C2)c1	ZINC000012205902	558352790	/nfs/dbraw/zinc/35/27/90/558352790.db2.gz	IRBSOAQUNMNREX-QFIPXVFZSA-N	2	2	423.601	4.843	50	10		HJCALP
COc1ccc(O)c(C[N@H+](Cc2cccnc2)C[C@@H]2CCC[NH+](C3CCCCC3)C2)c1	ZINC000012205902	558352792	/nfs/dbraw/zinc/35/27/92/558352792.db2.gz	IRBSOAQUNMNREX-QFIPXVFZSA-N	2	2	423.601	4.843	50	10		HJCALP
COc1ccc(O)c(C[NH+](Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1	ZINC000012205902	558352793	/nfs/dbraw/zinc/35/27/93/558352793.db2.gz	IRBSOAQUNMNREX-QFIPXVFZSA-N	2	2	423.601	4.843	50	10		HJCALP
COc1ccc(O)c(C[NH+](Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1	ZINC000012205902	558352796	/nfs/dbraw/zinc/35/27/96/558352796.db2.gz	IRBSOAQUNMNREX-QFIPXVFZSA-N	2	2	423.601	4.843	50	10		HJCALP
C[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1cccc(C(F)(F)F)c1O	ZINC000242389689	568732786	/nfs/dbraw/zinc/73/27/86/568732786.db2.gz	ZZPBDEILIIAQND-IRXDYDNUSA-N	2	2	422.491	4.962	50	10		HJCALP
Cc1c(O)c(C[N@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)cc2c3ccccc3c(=O)oc12	ZINC000524730425	569393740	/nfs/dbraw/zinc/39/37/40/569393740.db2.gz	IUHFXUKQOWDGLR-FDDCHVKYSA-N	2	2	420.553	4.657	50	10	biogenic	HJCALP
Cc1c(O)c(C[N@@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)cc2c3ccccc3c(=O)oc12	ZINC000524730425	569393741	/nfs/dbraw/zinc/39/37/41/569393741.db2.gz	IUHFXUKQOWDGLR-FDDCHVKYSA-N	2	2	420.553	4.657	50	10	biogenic	HJCALP
Cc1c(O)c(C[NH+](C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc2c3ccccc3c(=O)oc12	ZINC000524730425	569393743	/nfs/dbraw/zinc/39/37/43/569393743.db2.gz	IUHFXUKQOWDGLR-FDDCHVKYSA-N	2	2	420.553	4.657	50	10	biogenic	HJCALP
Cc1c(O)c(C[NH+](C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc2c3ccccc3c(=O)oc12	ZINC000524730425	569393745	/nfs/dbraw/zinc/39/37/45/569393745.db2.gz	IUHFXUKQOWDGLR-FDDCHVKYSA-N	2	2	420.553	4.657	50	10	biogenic	HJCALP
Cc1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)n1-c1ccc2c(c1)OCO2	ZINC000008720011	571106732	/nfs/dbraw/zinc/10/67/32/571106732.db2.gz	FWHNWKCHDNILSU-SFHVURJKSA-N	2	2	414.509	4.859	50	10		HJCALP
C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CCOCC1)c1ccccc1	ZINC000242389690	568732782	/nfs/dbraw/zinc/73/27/82/568732782.db2.gz	ZZPBDEILIIAQND-SJORKVTESA-N	2	2	422.491	4.962	50	10		HJCALP
CCN(CC)c1ccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)cc1	ZINC000004149049	557520557	/nfs/dbraw/zinc/52/05/57/557520557.db2.gz	UBXVEORGGYZAAZ-UHFFFAOYSA-N	2	2	405.590	4.981	50	10		HJCALP
Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1	ZINC000097101308	558994142	/nfs/dbraw/zinc/99/41/42/558994142.db2.gz	IFLVBXMFTAGEEU-SANMLTNESA-N	2	2	416.565	4.688	50	10		HJCALP
C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1cccc(C(F)(F)F)c1O	ZINC000242389687	568732772	/nfs/dbraw/zinc/73/27/72/568732772.db2.gz	ZZPBDEILIIAQND-DLBZAZTESA-N	2	2	422.491	4.962	50	10		HJCALP
Cc1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)n1-c1ccc2c(c1)OCO2	ZINC000008720012	571106717	/nfs/dbraw/zinc/10/67/17/571106717.db2.gz	FWHNWKCHDNILSU-GOSISDBHSA-N	2	2	414.509	4.859	50	10		HJCALP
CC1(C)CC([NH2+]Cc2c(O)ccc3c(-c4ccccc4)cc(=O)oc32)CC(C)(C)[NH2+]1	ZINC000009184048	557825479	/nfs/dbraw/zinc/82/54/79/557825479.db2.gz	KFGUHQITACFVFM-UHFFFAOYSA-N	2	2	406.526	4.564	50	10		HJCALP
C[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1cccc(C(F)(F)F)c1O	ZINC000242389688	568732796	/nfs/dbraw/zinc/73/27/96/568732796.db2.gz	ZZPBDEILIIAQND-IAGOWNOFSA-N	2	2	422.491	4.962	50	10		HJCALP
Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1	ZINC000097101310	558994154	/nfs/dbraw/zinc/99/41/54/558994154.db2.gz	IFLVBXMFTAGEEU-AREMUKBSSA-N	2	2	416.565	4.688	50	10		HJCALP
COc1ccc(O)c(C[N@@H+](Cc2cccnc2)C[C@H]2CCC[NH+](C3CCCCC3)C2)c1	ZINC000012205910	558352836	/nfs/dbraw/zinc/35/28/36/558352836.db2.gz	IRBSOAQUNMNREX-JOCHJYFZSA-N	2	2	423.601	4.843	50	10		HJCALP
COc1ccc(O)c(C[N@H+](Cc2cccnc2)C[C@H]2CCC[NH+](C3CCCCC3)C2)c1	ZINC000012205910	558352837	/nfs/dbraw/zinc/35/28/37/558352837.db2.gz	IRBSOAQUNMNREX-JOCHJYFZSA-N	2	2	423.601	4.843	50	10		HJCALP
COc1ccc(O)c(C[NH+](Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1	ZINC000012205910	558352838	/nfs/dbraw/zinc/35/28/38/558352838.db2.gz	IRBSOAQUNMNREX-JOCHJYFZSA-N	2	2	423.601	4.843	50	10		HJCALP
COc1ccc(O)c(C[NH+](Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1	ZINC000012205910	558352840	/nfs/dbraw/zinc/35/28/40/558352840.db2.gz	IRBSOAQUNMNREX-JOCHJYFZSA-N	2	2	423.601	4.843	50	10		HJCALP