smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2C[NH2+]CCN2C)cc1	ZINC000911668240	807619820	/nfs/dbraw/zinc/61/98/20/807619820.db2.gz	WYXBGCLXLCPXRU-HUUCEWRRSA-N	2	0	305.426	-0.228	20	10		DBCDRP
[NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H]1O	ZINC001205967415	835373193	/nfs/dbraw/zinc/37/31/93/835373193.db2.gz	ODULTFOBWOREHD-GDBMZVCRSA-N	3	0	306.410	-0.304	20	10		DBCDRP
Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[NH2+]C[C@@H](O)C1	ZINC001210475342	978514696	/nfs/dbraw/zinc/51/46/96/978514696.db2.gz	LKEMJOSHSRQARE-OAHLLOKOSA-N	2	0	306.410	-0.432	20	10		DBCDRP
CN(C)c1ccc([C@H](CNC(=O)C2(O)C[NH2+]C2)[NH+](C)C)cc1	ZINC001355638276	980904558	/nfs/dbraw/zinc/90/45/58/980904558.db2.gz	DKUJIKLMJRVPIS-AWEZNQCLSA-N	2	0	306.410	-0.194	20	10		DBCDRP
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCC[NH3+])[NH+](C)C)cc1	ZINC000911268133	674700947	/nfs/dbraw/zinc/70/09/47/674700947.db2.gz	VEXKJFPMZZCPOZ-AWEZNQCLSA-N	2	0	321.425	-0.454	20	10		DBCDRP
CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2=NO[C@@H](C[NH3+])C2)cc1	ZINC000852791592	805974814	/nfs/dbraw/zinc/97/48/14/805974814.db2.gz	KFYMWBKMYDSMHU-CHWSQXEVSA-N	2	0	305.382	-0.028	20	10		DBCDRP
CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)cc1	ZINC000911668539	807619800	/nfs/dbraw/zinc/61/98/00/807619800.db2.gz	ZDSPUTGFMGFAGA-LZWOXQAQSA-N	2	0	306.410	-0.019	20	10		DBCDRP
CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)C[NH3+])[NH+](C)C)cc1	ZINC001341512367	808687508	/nfs/dbraw/zinc/68/75/08/808687508.db2.gz	AFUQIYRDTBQMMA-CQSZACIVSA-N	2	0	321.425	-0.454	20	10		DBCDRP
[NH3+][C@@H]1C[C@H](O)CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1	ZINC001204955241	835330933	/nfs/dbraw/zinc/33/09/33/835330933.db2.gz	KNZJDPJRYIMQMI-HIFRSBDPSA-N	2	0	306.410	-0.304	20	10		DBCDRP
CN(CC(=O)N1CC[NH2+]CC1)Cc1cc2c(cc1O)OCO2	ZINC000843047073	805606497	/nfs/dbraw/zinc/60/64/97/805606497.db2.gz	NJPUUIXOHWPSLP-UHFFFAOYSA-N	2	0	307.350	-0.016	20	10		DBCDRP
CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)cc1	ZINC000911668537	807619771	/nfs/dbraw/zinc/61/97/71/807619771.db2.gz	ZDSPUTGFMGFAGA-FMKPAKJESA-N	2	0	306.410	-0.019	20	10		DBCDRP
[NH3+]CCN(CCO)c1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1	ZINC001163832969	833171861	/nfs/dbraw/zinc/17/18/61/833171861.db2.gz	ZOPNZBLJZHYZRL-CQSZACIVSA-N	2	0	304.394	-0.405	20	10		DBCDRP
O=S(=O)(NCc1ccc(N2CC[NH2+]CC2)cc1)[C@H]1CC[NH2+]C1	ZINC001238381603	834355340	/nfs/dbraw/zinc/35/53/40/834355340.db2.gz	XZSRQRXKDJHLIZ-HNNXBMFYSA-N	2	0	324.450	-0.123	20	10		DBCDRP
[NH3+][C@H]1C[C@H](O)CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1	ZINC001204955244	835331244	/nfs/dbraw/zinc/33/12/44/835331244.db2.gz	KNZJDPJRYIMQMI-ZFWWWQNUSA-N	2	0	306.410	-0.304	20	10		DBCDRP
[NH3+]CCN1CC[NH+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC1	ZINC001210027437	978489341	/nfs/dbraw/zinc/48/93/41/978489341.db2.gz	CZYKLRGDBWHVCT-UHFFFAOYSA-N	3	0	306.410	-0.050	20	10		DBCDRP
[NH3+][C@H](CC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1ccccc1O	ZINC001219619662	978982768	/nfs/dbraw/zinc/98/27/68/978982768.db2.gz	MTHZMGCTZXVJAX-OSAQELSMSA-N	2	0	311.357	-0.039	20	10		DBCDRP
C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H](O)C[NH3+])cc2)CC1	ZINC001344555263	980000620	/nfs/dbraw/zinc/00/06/20/980000620.db2.gz	CQOYLKISATYMHB-OAHLLOKOSA-N	2	0	306.410	-0.236	20	10		DBCDRP
CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2C[NH2+]CCN2C)cc1	ZINC000911668241	807619755	/nfs/dbraw/zinc/61/97/55/807619755.db2.gz	WYXBGCLXLCPXRU-LSDHHAIUSA-N	2	0	305.426	-0.228	20	10		DBCDRP
CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)cc1	ZINC000911668540	807619868	/nfs/dbraw/zinc/61/98/68/807619868.db2.gz	ZDSPUTGFMGFAGA-SQWLQELKSA-N	2	0	306.410	-0.019	20	10		DBCDRP
[NH3+][C@H](CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)c1ccccc1O	ZINC001158100969	832089867	/nfs/dbraw/zinc/08/98/67/832089867.db2.gz	DWGRCSLZSWTOGY-WBMJQRKESA-N	2	0	318.377	-0.527	20	10		DBCDRP
CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cn(CC[NH3+])nn2)cc1	ZINC000852791537	805974833	/nfs/dbraw/zinc/97/48/33/805974833.db2.gz	IYBHWYWNWCTCOF-ZDUSSCGKSA-N	2	0	317.397	-0.267	20	10		DBCDRP
CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CN2CC[NH2+]CC2)cc1	ZINC000876506660	806787850	/nfs/dbraw/zinc/78/78/50/806787850.db2.gz	NIHYSMYQVFUUCT-HNNXBMFYSA-N	2	0	305.426	-0.226	20	10		DBCDRP
COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1	ZINC000832279575	805476848	/nfs/dbraw/zinc/47/68/48/805476848.db2.gz	KBWLXOUIOHXBKF-STQMWFEESA-N	2	0	308.382	-0.241	20	10		DBCDRP
COc1ccc(N2CCN(C(=O)CNC(C[NH3+])C[NH3+])CC2)cc1	ZINC000923351887	807661224	/nfs/dbraw/zinc/66/12/24/807661224.db2.gz	PXQVZQOGOFRWNN-UHFFFAOYSA-N	2	0	321.425	-0.781	20	10		DBCDRP
O=S(=O)(NCc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1CC[NH2+]C1	ZINC001238381625	834354777	/nfs/dbraw/zinc/35/47/77/834354777.db2.gz	XZSRQRXKDJHLIZ-OAHLLOKOSA-N	2	0	324.450	-0.123	20	10		DBCDRP
[NH3+][C@H]1C[C@@H](O)CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1	ZINC001204955240	835331291	/nfs/dbraw/zinc/33/12/91/835331291.db2.gz	KNZJDPJRYIMQMI-DZGCQCFKSA-N	2	0	306.410	-0.304	20	10		DBCDRP
O=C(CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccc(O)c(O)c1	ZINC001220489808	979211822	/nfs/dbraw/zinc/21/18/22/979211822.db2.gz	HVYXPWJIINBHQY-SNVBAGLBSA-N	2	0	305.334	-0.794	20	10		DBCDRP
[NH3+][C@@H](C(=O)NCC(=O)c1ccc(O)c(O)c1)C1CC[NH2+]CC1	ZINC001220489933	979213185	/nfs/dbraw/zinc/21/31/85/979213185.db2.gz	MKLCAFGOUKXWLB-CQSZACIVSA-N	2	0	307.350	-0.276	20	10		DBCDRP
O=C(CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccc(O)c(O)c1	ZINC001220489807	979213959	/nfs/dbraw/zinc/21/39/59/979213959.db2.gz	HVYXPWJIINBHQY-JTQLQIEISA-N	2	0	305.334	-0.794	20	10		DBCDRP
CN(C)c1ccc([C@@H](CNC(=O)C2(O)C[NH2+]C2)[NH+](C)C)cc1	ZINC001355638277	980904042	/nfs/dbraw/zinc/90/40/42/980904042.db2.gz	DKUJIKLMJRVPIS-CQSZACIVSA-N	2	0	306.410	-0.194	20	10		DBCDRP
CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2C[NH2+]CCN2C)cc1	ZINC000911668239	807619791	/nfs/dbraw/zinc/61/97/91/807619791.db2.gz	WYXBGCLXLCPXRU-GJZGRUSLSA-N	2	0	305.426	-0.228	20	10		DBCDRP
[NH3+][C@H](CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)c1ccccc1O	ZINC001158100968	832090419	/nfs/dbraw/zinc/09/04/19/832090419.db2.gz	DWGRCSLZSWTOGY-MLGOLLRUSA-N	2	0	318.377	-0.527	20	10		DBCDRP
[NH3+][C@@H]1C[C@@H](O)CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1	ZINC001204955242	835331114	/nfs/dbraw/zinc/33/11/14/835331114.db2.gz	KNZJDPJRYIMQMI-UKRRQHHQSA-N	2	0	306.410	-0.304	20	10		DBCDRP
[NH3+][C@H](C(=O)NCC(=O)c1ccc(O)c(O)c1)C1CC[NH2+]CC1	ZINC001220489932	979214026	/nfs/dbraw/zinc/21/40/26/979214026.db2.gz	MKLCAFGOUKXWLB-AWEZNQCLSA-N	2	0	307.350	-0.276	20	10		DBCDRP
[NH3+]CCSC[C@H]([NH3+])C(=O)NCC(=O)c1ccc(O)c(O)c1	ZINC001220489856	979214268	/nfs/dbraw/zinc/21/42/68/979214268.db2.gz	JOJDYXRWIGGQRB-VIFPVBQESA-N	2	0	313.379	-0.584	20	10		DBCDRP
C[NH+]1CCN(c2ccc(CNC(=O)C[C@H](O)C[NH3+])cc2)CC1	ZINC001344555261	980001831	/nfs/dbraw/zinc/00/18/31/980001831.db2.gz	CQOYLKISATYMHB-HNNXBMFYSA-N	2	0	306.410	-0.236	20	10		DBCDRP
CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2=NO[C@@H](C[NH3+])C2)cc1	ZINC000852791593	805975397	/nfs/dbraw/zinc/97/53/97/805975397.db2.gz	KFYMWBKMYDSMHU-OLZOCXBDSA-N	2	0	305.382	-0.028	20	10		DBCDRP
C[NH+]1CCN(c2ccc(CNS(=O)(=O)CC[NH3+])cc2)CC1	ZINC001238395689	834355890	/nfs/dbraw/zinc/35/58/90/834355890.db2.gz	IISXPDMZFYCDSV-UHFFFAOYSA-N	2	0	312.439	-0.184	20	10		DBCDRP
COC(=O)[C@@H]1C[NH2+]CCN1Cc1cc2c(cc1O)OCC[NH2+]C2	ZINC001222422057	979511703	/nfs/dbraw/zinc/51/17/03/979511703.db2.gz	QVHTXZRZRYQWNE-ZDUSSCGKSA-N	2	0	321.377	-0.179	20	10		DBCDRP
C[NH+]1CCN(c2ccc(CNC(=O)CNC(=O)C[NH3+])cc2)CC1	ZINC001349886030	980521532	/nfs/dbraw/zinc/52/15/32/980521532.db2.gz	PCOZATHNVSOJHN-UHFFFAOYSA-N	2	0	319.409	-0.871	20	10		DBCDRP
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC[NH3+])[NH+](C)C)cc1	ZINC000911268134	674701017	/nfs/dbraw/zinc/70/10/17/674701017.db2.gz	VEXKJFPMZZCPOZ-CQSZACIVSA-N	2	0	321.425	-0.454	20	10		DBCDRP
COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1	ZINC000832279574	805477211	/nfs/dbraw/zinc/47/72/11/805477211.db2.gz	KBWLXOUIOHXBKF-QWHCGFSZSA-N	2	0	308.382	-0.241	20	10		DBCDRP
[NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H]1O	ZINC001206481384	835398529	/nfs/dbraw/zinc/39/85/29/835398529.db2.gz	SSAHIUDCAHKEAY-XJKSGUPXSA-N	3	0	306.410	-0.447	20	10		DBCDRP
CN(C)c1ccc([C@H](CNC(=O)CNC(=O)C[NH3+])[NH+](C)C)cc1	ZINC001341512366	808687818	/nfs/dbraw/zinc/68/78/18/808687818.db2.gz	AFUQIYRDTBQMMA-AWEZNQCLSA-N	2	0	321.425	-0.454	20	10		DBCDRP
[NH3+]CCN(CCO)c1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1	ZINC001163832968	833171853	/nfs/dbraw/zinc/17/18/53/833171853.db2.gz	ZOPNZBLJZHYZRL-AWEZNQCLSA-N	2	0	304.394	-0.405	20	10		DBCDRP
C[NH+](C)C[C@H](N)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC001119374943	829255558	/nfs/dbraw/zinc/25/55/58/829255558.db2.gz	KGHZXEHPVJRQLX-INIZCTEOSA-N	2	0	319.453	-0.057	20	10		DBCDRP
Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC2(C1)C[NH2+]CCO2	ZINC001222442036	979512906	/nfs/dbraw/zinc/51/29/06/979512906.db2.gz	YZRQQGHGFOTABU-UHFFFAOYSA-N	2	0	318.421	-0.024	20	10		DBCDRP
[NH3+]CCOCCOCCNC(=O)C[C@@H]([NH3+])c1ccccc1O	ZINC001220519191	979224685	/nfs/dbraw/zinc/22/46/85/979224685.db2.gz	FTSWPVBWOHATHX-CYBMUJFWSA-N	2	0	311.382	-0.110	20	10		DBCDRP
CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2=NO[C@H](C[NH3+])C2)cc1	ZINC000852791594	805975534	/nfs/dbraw/zinc/97/55/34/805975534.db2.gz	KFYMWBKMYDSMHU-QWHCGFSZSA-N	2	0	305.382	-0.028	20	10		DBCDRP
Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[NH2+]C[C@H](O)C1	ZINC001210475341	978514055	/nfs/dbraw/zinc/51/40/55/978514055.db2.gz	LKEMJOSHSRQARE-HNNXBMFYSA-N	2	0	306.410	-0.432	20	10		DBCDRP
Oc1cc(N2CC[NH2+]CC2)ccc1CN1CCOC2(C[NH2+]C2)C1	ZINC001222446765	979512815	/nfs/dbraw/zinc/51/28/15/979512815.db2.gz	CKHMLDYMNNYIHM-UHFFFAOYSA-N	2	0	318.421	-0.024	20	10		DBCDRP
CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)cc1	ZINC000911668538	807619747	/nfs/dbraw/zinc/61/97/47/807619747.db2.gz	ZDSPUTGFMGFAGA-IIAWOOMASA-N	2	0	306.410	-0.019	20	10		DBCDRP
C[NH+]1CCN(c2ccc(CNC(=O)C3(O)C[NH2+]C3)cc2)CC1	ZINC001333257844	808034876	/nfs/dbraw/zinc/03/48/76/808034876.db2.gz	NDFXSNQGDLETPL-UHFFFAOYSA-N	2	0	304.394	-0.611	20	10		DBCDRP
[NH3+][C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[C@H]1O	ZINC001206102217	835379268	/nfs/dbraw/zinc/37/92/68/835379268.db2.gz	SYPZAEXLCZNNQX-HUUCEWRRSA-N	2	0	306.410	-0.304	20	10		DBCDRP
COC(=O)[C@H]1C[NH2+]CCN1Cc1cc2c(cc1O)OCC[NH2+]C2	ZINC001222422056	979512596	/nfs/dbraw/zinc/51/25/96/979512596.db2.gz	QVHTXZRZRYQWNE-CYBMUJFWSA-N	2	0	321.377	-0.179	20	10		DBCDRP
CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2=NO[C@H](C[NH3+])C2)cc1	ZINC000852791595	805975271	/nfs/dbraw/zinc/97/52/71/805975271.db2.gz	KFYMWBKMYDSMHU-STQMWFEESA-N	2	0	305.382	-0.028	20	10		DBCDRP
NC(=[NH2+])N(CCCC[NH3+])C(=O)CN1C(=O)CSC1=S	ZINC001144848493	831259931	/nfs/dbraw/zinc/25/99/31/831259931.db2.gz	QCVKVRPVEVIQAD-UHFFFAOYSA-N	2	0	303.413	-0.692	20	10		DBCDRP
[NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@@H]1O	ZINC001206530863	835401466	/nfs/dbraw/zinc/40/14/66/835401466.db2.gz	SSAHIUDCAHKEAY-BBRMVZONSA-N	3	0	306.410	-0.447	20	10		DBCDRP
[NH3+]CCN1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC1	ZINC001210029166	978489076	/nfs/dbraw/zinc/48/90/76/978489076.db2.gz	RJSGUOIXVHFCHN-UHFFFAOYSA-N	3	0	319.453	-0.122	20	10		DBCDRP
O=C(CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)c1ccc(O)c(O)c1	ZINC001220489953	979211987	/nfs/dbraw/zinc/21/19/87/979211987.db2.gz	NBFAMFBCTCNMBF-GARJFASQSA-N	2	0	305.334	-0.653	20	10		DBCDRP
CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cn(CC[NH3+])nn2)cc1	ZINC000852791536	805975483	/nfs/dbraw/zinc/97/54/83/805975483.db2.gz	IYBHWYWNWCTCOF-CYBMUJFWSA-N	2	0	317.397	-0.267	20	10		DBCDRP
CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN2CC[NH2+]CC2)cc1	ZINC000876506661	806787768	/nfs/dbraw/zinc/78/77/68/806787768.db2.gz	NIHYSMYQVFUUCT-OAHLLOKOSA-N	2	0	305.426	-0.226	20	10		DBCDRP
C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC[NH3+])cc2)CC1	ZINC000884672777	807066210	/nfs/dbraw/zinc/06/62/10/807066210.db2.gz	CDUUJCPPUOLAQM-UHFFFAOYSA-N	2	0	319.409	-0.871	20	10		DBCDRP
Oc1cc(N2CC[NH2+]CC2)ccc1CN1CCO[C@@H]2C[NH2+]C[C@H]21	ZINC001222635222	979521740	/nfs/dbraw/zinc/52/17/40/979521740.db2.gz	SHBMBTTWHGHAEK-NVXWUHKLSA-N	2	0	318.421	-0.026	20	10		DBCDRP
C[NH+]1CCN(c2ccc(CNC(=O)CNCC[NH3+])cc2)CC1	ZINC001340859406	808660668	/nfs/dbraw/zinc/66/06/68/808660668.db2.gz	ZZWCCPWPGYLLIO-UHFFFAOYSA-N	2	0	305.426	-0.397	20	10		DBCDRP
O=C(CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1ccc(O)c(O)c1	ZINC001220489764	979212437	/nfs/dbraw/zinc/21/24/37/979212437.db2.gz	GRYHNRLXDYQUKA-BDJLRTHQSA-N	2	0	319.361	-0.404	20	10		DBCDRP