smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@]1([NH3+])CCN(C(=O)C[C@@H]([NH3+])c2ccccc2O)C1	ZINC001161139381	832982304	/nfs/dbraw/zinc/98/23/04/832982304.db2.gz	SCNPGSVRCQXFHC-ABAIWWIYSA-N	2	2	307.350	-0.115	20	10		DBCDLP
Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[NH2+]C[C@@H](O)C1	ZINC001210475342	978514719	/nfs/dbraw/zinc/51/47/19/978514719.db2.gz	LKEMJOSHSRQARE-OAHLLOKOSA-N	3	2	306.410	-0.432	20	10		DBCDLP
Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[NH2+]C[C@@H](O)C1	ZINC001210475342	978514729	/nfs/dbraw/zinc/51/47/29/978514729.db2.gz	LKEMJOSHSRQARE-OAHLLOKOSA-N	3	2	306.410	-0.432	20	10		DBCDLP
O=C(CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)c1ccc(O)c(O)c1	ZINC001220490222	979212082	/nfs/dbraw/zinc/21/20/82/979212082.db2.gz	XRWHNDHONCZIQF-BMIGLBTASA-N	2	2	305.334	-0.652	20	10		DBCDLP
O=C(CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)c1ccc(O)c(O)c1	ZINC001220490224	979213493	/nfs/dbraw/zinc/21/34/93/979213493.db2.gz	XRWHNDHONCZIQF-MEBBXXQBSA-N	2	2	305.334	-0.652	20	10		DBCDLP
[NH3+][C@@H]1C[C@H](O)C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1	ZINC001204955241	835330944	/nfs/dbraw/zinc/33/09/44/835330944.db2.gz	KNZJDPJRYIMQMI-HIFRSBDPSA-N	3	2	306.410	-0.304	20	10		DBCDLP
[NH3+][C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1	ZINC001204955241	835330951	/nfs/dbraw/zinc/33/09/51/835330951.db2.gz	KNZJDPJRYIMQMI-HIFRSBDPSA-N	3	2	306.410	-0.304	20	10		DBCDLP
[NH3+][C@H]1C[C@H](O)C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1	ZINC001204955244	835331254	/nfs/dbraw/zinc/33/12/54/835331254.db2.gz	KNZJDPJRYIMQMI-ZFWWWQNUSA-N	3	2	306.410	-0.304	20	10		DBCDLP
[NH3+][C@H]1C[C@H](O)C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1	ZINC001204955244	835331261	/nfs/dbraw/zinc/33/12/61/835331261.db2.gz	KNZJDPJRYIMQMI-ZFWWWQNUSA-N	3	2	306.410	-0.304	20	10		DBCDLP
O=C(C[NH2+]C1CC[NH2+]CC1)NCC(=O)c1ccc(O)c(O)c1	ZINC001220489810	979213807	/nfs/dbraw/zinc/21/38/07/979213807.db2.gz	HZMDWXHMDCWYPU-UHFFFAOYSA-N	2	2	307.350	-0.262	20	10		DBCDLP
CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CN2CC[NH2+]CC2=O)cc1	ZINC000841845921	805578880	/nfs/dbraw/zinc/57/88/80/805578880.db2.gz	HXYKCTJBHVMBFA-AWEZNQCLSA-N	2	2	319.409	-0.700	20	10		DBCDLP
COc1ccc(N2CC[NH+](CCNC(=O)[C@H]([NH3+])CO)CC2)cc1	ZINC001340251486	808630619	/nfs/dbraw/zinc/63/06/19/808630619.db2.gz	XXVHYNVOFBYEBL-OAHLLOKOSA-N	2	2	322.409	-0.747	20	10		DBCDLP
COC(=O)[C@@]1([NH3+])CCN(C(=O)C[C@@H]([NH3+])c2ccccc2O)C1	ZINC001161139382	832983588	/nfs/dbraw/zinc/98/35/88/832983588.db2.gz	SCNPGSVRCQXFHC-IAQYHMDHSA-N	2	2	307.350	-0.115	20	10		DBCDLP
[NH3+][C@H]1C[C@@H](O)C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1	ZINC001204955240	835331300	/nfs/dbraw/zinc/33/13/00/835331300.db2.gz	KNZJDPJRYIMQMI-DZGCQCFKSA-N	3	2	306.410	-0.304	20	10		DBCDLP
[NH3+][C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1	ZINC001204955240	835331306	/nfs/dbraw/zinc/33/13/06/835331306.db2.gz	KNZJDPJRYIMQMI-DZGCQCFKSA-N	3	2	306.410	-0.304	20	10		DBCDLP
[NH3+][C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1	ZINC001204955242	835331124	/nfs/dbraw/zinc/33/11/24/835331124.db2.gz	KNZJDPJRYIMQMI-UKRRQHHQSA-N	3	2	306.410	-0.304	20	10		DBCDLP
[NH3+][C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1	ZINC001204955242	835331134	/nfs/dbraw/zinc/33/11/34/835331134.db2.gz	KNZJDPJRYIMQMI-UKRRQHHQSA-N	3	2	306.410	-0.304	20	10		DBCDLP
O=C(CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1ccc(O)c(O)c1	ZINC001220490225	979212271	/nfs/dbraw/zinc/21/22/71/979212271.db2.gz	XRWHNDHONCZIQF-ZUZCIYMTSA-N	2	2	305.334	-0.652	20	10		DBCDLP
COC(=O)[C@@H]1C[C@@H](NC(=O)C[C@@H]([NH3+])c2ccccc2O)C[NH2+]1	ZINC001219968303	979053454	/nfs/dbraw/zinc/05/34/54/979053454.db2.gz	ZCCXMKRVIZAYGV-JLLWLGSASA-N	2	2	307.350	-0.198	20	10		DBCDLP
Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[NH2+]C[C@H](O)C1	ZINC001210475341	978514067	/nfs/dbraw/zinc/51/40/67/978514067.db2.gz	LKEMJOSHSRQARE-HNNXBMFYSA-N	3	2	306.410	-0.432	20	10		DBCDLP
Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[NH2+]C[C@H](O)C1	ZINC001210475341	978514070	/nfs/dbraw/zinc/51/40/70/978514070.db2.gz	LKEMJOSHSRQARE-HNNXBMFYSA-N	3	2	306.410	-0.432	20	10		DBCDLP
CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN2CC[NH2+]CC2=O)cc1	ZINC000841845923	805578338	/nfs/dbraw/zinc/57/83/38/805578338.db2.gz	HXYKCTJBHVMBFA-CQSZACIVSA-N	2	2	319.409	-0.700	20	10		DBCDLP
O=C(CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1ccc(O)c(O)c1	ZINC001220489953	979212007	/nfs/dbraw/zinc/21/20/07/979212007.db2.gz	NBFAMFBCTCNMBF-GARJFASQSA-N	2	2	305.334	-0.653	20	10		DBCDLP
Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC(=O)c1ccc(O)c(O)c1	ZINC001220490062	979213682	/nfs/dbraw/zinc/21/36/82/979213682.db2.gz	RFAFTGKSXFMIGD-NSHDSACASA-N	2	2	318.333	-0.300	20	10		DBCDLP
O=C(CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1ccc(O)c(O)c1	ZINC001220490223	979213745	/nfs/dbraw/zinc/21/37/45/979213745.db2.gz	XRWHNDHONCZIQF-BONVTDFDSA-N	2	2	305.334	-0.652	20	10		DBCDLP