smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CCS(=O)(=O)CC[NH+]1CCCC1)NCCCCCCNC(=O)CCS(=O)(=O)CC[NH+]1CCCC1	ZINC000004064086	552431928	/nfs/dbraw/zinc/43/19/28/552431928.db2.gz	RPNBQYQUHDDWIS-UHFFFAOYSA-N	2	2	550.788	0.581	50	0		KCAALP
NC(=O)C1([NH+]2CCCCC2)CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC1	ZINC000004574417	552468260	/nfs/dbraw/zinc/46/82/60/552468260.db2.gz	NAZGUOACXSMSLK-UHFFFAOYSA-N	2	2	624.830	0.676	50	0		KCAALP
COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CC[NH+](CCO)CC4)cc1)[N@@H+](C)CC3)OCO2	ZINC000015414773	553532726	/nfs/dbraw/zinc/53/27/26/553532726.db2.gz	MIJDVSDYESGQCP-JOCHJYFZSA-N	2	2	521.578	0.727	50	0	biogenic	KCAALP
COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CC[NH+](CCO)CC4)cc1)[N@H+](C)CC3)OCO2	ZINC000015414773	553532723	/nfs/dbraw/zinc/53/27/23/553532723.db2.gz	MIJDVSDYESGQCP-JOCHJYFZSA-N	2	2	521.578	0.727	50	0	biogenic	KCAALP
COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CC[NH+](CCO)CC4)cc1)[N@@H+](C)CC3)OCO2	ZINC000015414776	553532833	/nfs/dbraw/zinc/53/28/33/553532833.db2.gz	MIJDVSDYESGQCP-QFIPXVFZSA-N	2	2	521.578	0.727	50	0	biogenic	KCAALP
COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CC[NH+](CCO)CC4)cc1)[N@H+](C)CC3)OCO2	ZINC000015414776	553532831	/nfs/dbraw/zinc/53/28/31/553532831.db2.gz	MIJDVSDYESGQCP-QFIPXVFZSA-N	2	2	521.578	0.727	50	0	biogenic	KCAALP
COc1c2c(cc3c1[C@H](c1nnnn1-c1ccccc1C(=O)N1CC[NH+](CCO)CC1)[N@@H+](C)CC3)OCO2	ZINC000015415057	553532911	/nfs/dbraw/zinc/53/29/11/553532911.db2.gz	IIAZVQCINONFLK-JOCHJYFZSA-N	2	2	521.578	0.727	50	0	biogenic	KCAALP
COc1c2c(cc3c1[C@H](c1nnnn1-c1ccccc1C(=O)N1CC[NH+](CCO)CC1)[N@H+](C)CC3)OCO2	ZINC000015415057	553532909	/nfs/dbraw/zinc/53/29/09/553532909.db2.gz	IIAZVQCINONFLK-JOCHJYFZSA-N	2	2	521.578	0.727	50	0	biogenic	KCAALP
COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccccc1C(=O)N1CC[NH+](CCO)CC1)[N@@H+](C)CC3)OCO2	ZINC000015415060	553532896	/nfs/dbraw/zinc/53/28/96/553532896.db2.gz	IIAZVQCINONFLK-QFIPXVFZSA-N	2	2	521.578	0.727	50	0	biogenic	KCAALP
COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccccc1C(=O)N1CC[NH+](CCO)CC1)[N@H+](C)CC3)OCO2	ZINC000015415060	553532893	/nfs/dbraw/zinc/53/28/93/553532893.db2.gz	IIAZVQCINONFLK-QFIPXVFZSA-N	2	2	521.578	0.727	50	0	biogenic	KCAALP
COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CC[NH+](CCO)CC4)c1)[N@@H+](C)CC3)OCO2	ZINC000015415437	553533028	/nfs/dbraw/zinc/53/30/28/553533028.db2.gz	GMPUOGHIJWMRLR-JOCHJYFZSA-N	2	2	521.578	0.727	50	0	biogenic	KCAALP
COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CC[NH+](CCO)CC4)c1)[N@H+](C)CC3)OCO2	ZINC000015415437	553533025	/nfs/dbraw/zinc/53/30/25/553533025.db2.gz	GMPUOGHIJWMRLR-JOCHJYFZSA-N	2	2	521.578	0.727	50	0	biogenic	KCAALP
COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CC[NH+](CCO)CC4)c1)[N@@H+](C)CC3)OCO2	ZINC000015415440	553532970	/nfs/dbraw/zinc/53/29/70/553532970.db2.gz	GMPUOGHIJWMRLR-QFIPXVFZSA-N	2	2	521.578	0.727	50	0	biogenic	KCAALP
COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CC[NH+](CCO)CC4)c1)[N@H+](C)CC3)OCO2	ZINC000015415440	553532967	/nfs/dbraw/zinc/53/29/67/553532967.db2.gz	GMPUOGHIJWMRLR-QFIPXVFZSA-N	2	2	521.578	0.727	50	0	biogenic	KCAALP
CC(C)([NH3+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000029562299	553846712	/nfs/dbraw/zinc/84/67/12/553846712.db2.gz	NEHWBYHLYZGBNO-BVEPWEIPSA-N	3	2	711.868	0.882	50	0	investigational	KCAALP
CC(C)([NH3+])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000029562299	553846707	/nfs/dbraw/zinc/84/67/07/553846707.db2.gz	NEHWBYHLYZGBNO-BVEPWEIPSA-N	3	2	711.868	0.882	50	0	investigational	KCAALP
CN(CC(=O)NCC[NH+](C)C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2cccs2)c1	ZINC000063627668	554510057	/nfs/dbraw/zinc/51/00/57/554510057.db2.gz	NWMMNPANSJABFT-UHFFFAOYSA-N	2	2	508.670	0.708	50	0		KCAALP
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2)c1	ZINC000096495049	553754828	/nfs/dbraw/zinc/75/48/28/553754828.db2.gz	KROUZSZAOUQAQE-UHFFFAOYSA-N	2	2	514.652	0.743	50	0		KCAALP
O[C@@H](COc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ncccn3)CC2)cc1)C[NH+]1CCN(c2ncccn2)CC1	ZINC000097997905	554041117	/nfs/dbraw/zinc/04/11/17/554041117.db2.gz	WWXUCXHCFZZVDL-PSWAGMNNSA-N	2	2	550.664	0.390	50	0		KCAALP
O[C@@H](COc1ccc(OC[C@H](O)C[NH+]2CCN(c3ncccn3)CC2)cc1)C[NH+]1CCN(c2ncccn2)CC1	ZINC000097997906	554041060	/nfs/dbraw/zinc/04/10/60/554041060.db2.gz	WWXUCXHCFZZVDL-DNQXCXABSA-N	2	2	550.664	0.390	50	0		KCAALP
O[C@H](COc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ncccn3)CC2)cc1)C[NH+]1CCN(c2ncccn2)CC1	ZINC000097997907	554041154	/nfs/dbraw/zinc/04/11/54/554041154.db2.gz	WWXUCXHCFZZVDL-ZEQRLZLVSA-N	2	2	550.664	0.390	50	0		KCAALP
C(C[NH+]1CCOCCOCCOCCOCCOCC1)C[NH+]1CCOCCOCCOCCOCCOCC1	ZINC000100479933	554401733	/nfs/dbraw/zinc/40/17/33/554401733.db2.gz	SUKNJHPHHCDLGX-UHFFFAOYSA-N	2	2	566.733	0.174	50	0		KCAALP
Cc1[nH+]ccn1C[C@H](O)CN1C(=O)N(CN2C(=O)N(C[C@H](O)Cn3cc[nH+]c3C)C(=O)C2(C)C)C(C)(C)C1=O	ZINC000100660788	554438476	/nfs/dbraw/zinc/43/84/76/554438476.db2.gz	SPCFEWPWXJVOLB-KDURUIRLSA-N	2	2	544.613	0.162	50	0		KCAALP
Cn1c2nc3n(cc(-c4ccc(NCC[NH+]5CCOCC5)cc4)n3CC[NH+]3CCOCC3)c2c(=O)n(C)c1=O	ZINC000101187423	554669651	/nfs/dbraw/zinc/66/96/51/554669651.db2.gz	MHICNILYUXDKLA-UHFFFAOYSA-N	2	2	536.637	0.430	50	0		KCAALP
CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCNC1=O	ZINC000952857184	1066253197	/nfs/dbraw/zinc/25/31/97/1066253197.db2.gz	MLNSVQCJIUHEQO-UTPIKVEBSA-N	2	2	701.229	0.205	50	0		KCAALP
CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)N=C2C=C(CCNC(=O)[C@H](C)NC1=O)[NH+]=C(N1CC[NH+](C)CC1)N2	ZINC000952857767	1066255486	/nfs/dbraw/zinc/25/54/86/1066255486.db2.gz	UCTNSSMDZNKFNX-NGYIFUPDSA-N	2	2	536.681	0.252	50	0		KCAALP