smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC(CC[NH2+]Cc2c(Cl)oc3ccccc32)CC1	ZINC000161016188	332275740	/nfs/dbraw/zinc/27/57/40/332275740.db2.gz	PQCRDFUCLSFELD-UHFFFAOYSA-N	2	0	306.837	3.908	20	70		DHIDRP
CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2ccco2)cc1	ZINC000160281797	520698273	/nfs/dbraw/zinc/69/82/73/520698273.db2.gz	GTIPEMKZHSMZOA-MRXNPFEDSA-N	2	0	316.445	3.851	20	70		DHIDRP
COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CC2	ZINC000160468764	525587501	/nfs/dbraw/zinc/58/75/01/525587501.db2.gz	CHOMLUCWAAYNKR-HXUWFJFHSA-N	2	0	314.473	3.679	20	70		DHIDRP
CC(C)c1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1	ZINC000160663444	333259006	/nfs/dbraw/zinc/25/90/06/333259006.db2.gz	GFKZPBXKJAJKHV-YLJYHZDGSA-N	2	0	318.505	3.698	20	70		DHIDRP
COc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)ccc1SC	ZINC000161101115	522948135	/nfs/dbraw/zinc/94/81/35/522948135.db2.gz	OCJPLFFQDYPCEI-BPUTZDHNSA-N	2	0	322.518	3.941	20	70		DHIDRP
C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCCc3sccc32)cc1	ZINC000160881720	333677510	/nfs/dbraw/zinc/67/75/10/333677510.db2.gz	RVWAGWLTZSUYKL-QGZVFWFLSA-N	2	0	300.471	3.977	20	70		DHIDRP
C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1	ZINC000160486125	524909594	/nfs/dbraw/zinc/90/95/94/524909594.db2.gz	JSUGHZIAVHWYJA-VYDXJSESSA-N	2	0	304.503	3.630	20	70		DHIDRP
Cc1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)s1	ZINC000160904208	524604738	/nfs/dbraw/zinc/60/47/38/524604738.db2.gz	DKHIGHWOKQPKGB-OAHLLOKOSA-N	2	0	318.486	3.848	20	70		DHIDRP
Cc1ccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)s1	ZINC000160918884	524605924	/nfs/dbraw/zinc/60/59/24/524605924.db2.gz	JNWPNTOWVDSYEI-OAHLLOKOSA-N	2	0	318.486	3.848	20	70		DHIDRP
CC(C)c1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1	ZINC000160663577	333261353	/nfs/dbraw/zinc/26/13/53/333261353.db2.gz	GFKZPBXKJAJKHV-FXAWDEMLSA-N	2	0	318.505	3.698	20	70		DHIDRP
CC(C)[C@@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1	ZINC000159714673	519792373	/nfs/dbraw/zinc/79/23/73/519792373.db2.gz	CMGXGUSZJKBMIX-GOSISDBHSA-N	2	0	318.505	3.692	20	70		DHIDRP
CCc1nc2c(s1)[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)CCC2	ZINC000159616105	332679212	/nfs/dbraw/zinc/67/92/12/332679212.db2.gz	DBIMBVHSXDSHRC-CYBMUJFWSA-N	2	0	321.534	3.982	20	70		DHIDRP
CC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1Cl	ZINC000160434726	522202846	/nfs/dbraw/zinc/20/28/46/522202846.db2.gz	QLUCWJXGDAVNIN-QLFBSQMISA-N	2	0	310.869	3.570	20	70		DHIDRP
COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1SC	ZINC000161100885	522948033	/nfs/dbraw/zinc/94/80/33/522948033.db2.gz	OCJPLFFQDYPCEI-IMJJTQAJSA-N	2	0	322.518	3.941	20	70		DHIDRP
CC1(C)CC(NC2CC[NH+](C3CCCCC3)CC2)CC(C)(C)[NH2+]1	ZINC000159593309	332676392	/nfs/dbraw/zinc/67/63/92/332676392.db2.gz	ZMUNIJQOHUCHIU-UHFFFAOYSA-N	2	0	321.553	3.682	20	70		DHIDRP
Cc1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)s1	ZINC000160904085	524594513	/nfs/dbraw/zinc/59/45/13/524594513.db2.gz	DKHIGHWOKQPKGB-HNNXBMFYSA-N	2	0	318.486	3.848	20	70		DHIDRP
CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2ccco2)cc1	ZINC000160281621	520698546	/nfs/dbraw/zinc/69/85/46/520698546.db2.gz	GTIPEMKZHSMZOA-INIZCTEOSA-N	2	0	316.445	3.851	20	70		DHIDRP
C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1	ZINC000160485998	524915503	/nfs/dbraw/zinc/91/55/03/524915503.db2.gz	JSUGHZIAVHWYJA-INMHGKMJSA-N	2	0	304.503	3.630	20	70		DHIDRP
CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1Cl	ZINC000160434548	522202098	/nfs/dbraw/zinc/20/20/98/522202098.db2.gz	QLUCWJXGDAVNIN-RBSFLKMASA-N	2	0	310.869	3.570	20	70		DHIDRP
C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(Sc2ccccc2)CC1	ZINC000160486249	524914062	/nfs/dbraw/zinc/91/40/62/524914062.db2.gz	JSUGHZIAVHWYJA-BFYDXBDKSA-N	2	0	304.503	3.630	20	70		DHIDRP
COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CCCC3)CC1)CC2	ZINC000160468912	525575000	/nfs/dbraw/zinc/57/50/00/525575000.db2.gz	CHOMLUCWAAYNKR-FQEVSTJZSA-N	2	0	314.473	3.679	20	70		DHIDRP
CCc1nc(C)c([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)s1	ZINC000159595689	332676671	/nfs/dbraw/zinc/67/66/71/332676671.db2.gz	NMQHEIRSEVMVGY-LLVKDONJSA-N	2	0	309.523	3.974	20	70		DHIDRP
CCc1nc(C)c([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)s1	ZINC000159595791	332676732	/nfs/dbraw/zinc/67/67/32/332676732.db2.gz	NMQHEIRSEVMVGY-NSHDSACASA-N	2	0	309.523	3.974	20	70		DHIDRP
Cc1ccc(C(=O)CC[NH+]2CCC(CCC[NH+](C)C)CC2)cc1	ZINC000161331571	337580926	/nfs/dbraw/zinc/58/09/26/337580926.db2.gz	KKYYHERKIWVMBZ-UHFFFAOYSA-N	2	0	316.489	3.622	20	70		DHIDRP
CC[N@@H+]1CC[C@@H]([NH2+]CC2(Sc3ccccc3)CC2)[C@H](C)C1	ZINC000160481500	521714823	/nfs/dbraw/zinc/71/48/23/521714823.db2.gz	OFLVHONKLNMVTO-NVXWUHKLSA-N	2	0	304.503	3.631	20	70		DHIDRP
CC[C@@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1Cl	ZINC000160434629	522553782	/nfs/dbraw/zinc/55/37/82/522553782.db2.gz	QLUCWJXGDAVNIN-ILXRZTDVSA-N	2	0	310.869	3.570	20	70		DHIDRP
Cc1ccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)s1	ZINC000160918749	524594280	/nfs/dbraw/zinc/59/42/80/524594280.db2.gz	JNWPNTOWVDSYEI-HNNXBMFYSA-N	2	0	318.486	3.848	20	70		DHIDRP
CC[N@@H+]1CC[C@H]([NH2+]CC2(Sc3ccccc3)CC2)[C@H](C)C1	ZINC000160481369	521721338	/nfs/dbraw/zinc/72/13/38/521721338.db2.gz	OFLVHONKLNMVTO-WBVHZDCISA-N	2	0	304.503	3.631	20	70		DHIDRP
C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(Sc2ccccc2)CC1	ZINC000160486373	524910327	/nfs/dbraw/zinc/91/03/27/524910327.db2.gz	JSUGHZIAVHWYJA-HLLBOEOZSA-N	2	0	304.503	3.630	20	70		DHIDRP
C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cc(F)cc(F)c1	ZINC000160875722	333677654	/nfs/dbraw/zinc/67/76/54/333677654.db2.gz	DIEDMUJIBSNZRD-ZDUSSCGKSA-N	2	0	304.384	3.877	20	70		DHIDRP
CCc1nc2c(s1)[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)CCC2	ZINC000159616234	332679399	/nfs/dbraw/zinc/67/93/99/332679399.db2.gz	DBIMBVHSXDSHRC-ZDUSSCGKSA-N	2	0	321.534	3.982	20	70		DHIDRP
c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+]C(C2CC2)C2CC2)C3)cc1	ZINC000161060694	526471780	/nfs/dbraw/zinc/47/17/80/526471780.db2.gz	YPIALJZCFBIUIU-IHWFROFDSA-N	2	0	310.485	3.960	20	70		DHIDRP
C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cc(F)cc(F)c1	ZINC000160875870	333678058	/nfs/dbraw/zinc/67/80/58/333678058.db2.gz	DIEDMUJIBSNZRD-CYBMUJFWSA-N	2	0	304.384	3.877	20	70		DHIDRP
COc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1SC	ZINC000161101003	522909733	/nfs/dbraw/zinc/90/97/33/522909733.db2.gz	OCJPLFFQDYPCEI-BMFZPTHFSA-N	2	0	322.518	3.941	20	70		DHIDRP
COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1	ZINC000161090381	333805777	/nfs/dbraw/zinc/80/57/77/333805777.db2.gz	FHHIFRFWSMETFC-ATLSCFEFSA-N	2	0	304.478	3.650	20	70		DHIDRP
COc1cc([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)ccc1SC	ZINC000161101232	522909418	/nfs/dbraw/zinc/90/94/18/522909418.db2.gz	OCJPLFFQDYPCEI-KBMXLJTQSA-N	2	0	322.518	3.941	20	70		DHIDRP
CC[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1Cl	ZINC000160434435	522549340	/nfs/dbraw/zinc/54/93/40/522549340.db2.gz	QLUCWJXGDAVNIN-KFWWJZLASA-N	2	0	310.869	3.570	20	70		DHIDRP