smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNc1nc(NC)nc(NCCC[NH2+]CCCCCCCCCCCC[NH2+]CCCNc2nc(NC)nc(NC)n2)n1	ZINC000027086009	561836249	/nfs/dbraw/zinc/83/62/49/561836249.db2.gz	JFIQFHDKIUYUKB-UHFFFAOYSA-N	2	3	588.854	3.608	1	0		KHAFHP
C[C@H](COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H]([NH3+])C[C@H]4C[C@H]([NH2+]CCCNCCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000029048435	561993546	/nfs/dbraw/zinc/99/35/46/561993546.db2.gz	KLJJCNSRMJAWAI-GGBKSGMNSA-N	2	3	556.858	3.715	1	0		KHAFHP
C[C@H](COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H]([NH3+])C[C@H]4C[C@@H]([NH2+]CCCNCCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000029050669	561994259	/nfs/dbraw/zinc/99/42/59/561994259.db2.gz	KLJJCNSRMJAWAI-MUHPNKRVSA-N	2	3	556.858	3.715	1	0		KHAFHP
C[NH2+]C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000038147599	562065621	/nfs/dbraw/zinc/06/56/21/562065621.db2.gz	DGPYFRPOLFFYGM-YRCZKMHPSA-N	2	3	573.826	3.738	1	0		KHAFHP
C[NH2+]C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@H](Cc1ccc(O)cc1)[NH2+]C	ZINC000038147600	562065653	/nfs/dbraw/zinc/06/56/53/562065653.db2.gz	KXVDQEBWXOUYEM-CUPIEXAXSA-N	2	3	587.853	3.998	1	0		KHAFHP
COc1cc2c(cc1OCCCCCC[NH+](C)C)nc(N1CCCN(C)CC1)nc2NC1CC[NH+](C)CC1	ZINC000058574814	562699585	/nfs/dbraw/zinc/69/95/85/562699585.db2.gz	GNLRWJSPQSAOPT-UHFFFAOYSA-N	2	3	527.758	3.787	1	0		KHAFHP
CCC[NH+]1CCC(N2C[C@@H](NC3CC[NH+](CCc4ccccc4)CC3)C[C@H]2C(=O)NCCc2ccc3c(c2)OCO3)CC1	ZINC000058626660	562701097	/nfs/dbraw/zinc/70/10/97/562701097.db2.gz	FPPPFGQMLPQQNA-CDZUIXILSA-N	2	3	589.825	3.688	1	0		KHAFHP
NCCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@H](CC1CCCCC1)NC(=O)Cc1cccc2ccccc21	ZINC000064527478	562706933	/nfs/dbraw/zinc/70/69/33/562706933.db2.gz	BKXZRLFPGYWHTM-LJAQVGFWSA-N	2	3	523.766	3.652	1	0		KHAFHP
NCCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@H](CC1CCCCC1)NC(=O)CC12CC3CC(CC(C3)C1)C2	ZINC000064527479	562706980	/nfs/dbraw/zinc/70/69/80/562706980.db2.gz	BSXAXDHXYFYFPY-BFBPZRSYSA-N	2	3	531.830	3.863	1	0		KHAFHP
COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(N1CCCN(C)CC1)nc2NC1CC[NH+](C(C)C)CC1	ZINC000072114802	562722837	/nfs/dbraw/zinc/72/28/37/562722837.db2.gz	OGVKUDUEUSWORS-UHFFFAOYSA-N	2	3	539.769	3.930	1	0		KHAFHP
COc1cc2c(cc1OCCOCC[NH+]1CCCC1)nc(N1CCCN(C)CC1)nc2NC1CC[NH+](C(C)C)CC1	ZINC000072121503	562724300	/nfs/dbraw/zinc/72/43/00/562724300.db2.gz	FOEIKTXMJLWETJ-UHFFFAOYSA-N	2	3	569.795	3.556	1	0		KHAFHP
O=C(CC[NH+]1CCCC1)Nc1cc2cc(NC(=O)CC[NH+]3CCCC3)cc3c2c(c1)C(=O)N(CCN1CCCCC1)C3=O	ZINC000073390331	562738629	/nfs/dbraw/zinc/73/86/29/562738629.db2.gz	KVZGOTOFERCCFB-UHFFFAOYSA-N	2	3	588.753	3.771	1	0		KHAFHP
C[NH2+]C[C@H]1CC[C@H]2C[C@@]34[C@@H](C[C@@]35C[C@@H](CCC[C@H](C)[C@H](CO)[NH2+]C)C[C@H]5[C@@H]2N1)[C@@]1(O)CCC[C@](C)(C1)C[C@@H]4O	ZINC000085547377	565141299	/nfs/dbraw/zinc/14/12/99/565141299.db2.gz	YQIYSDNENIVBIR-WEQDOYIZSA-N	2	3	545.853	3.828	1	0	biogenic,in-vitro	KHAFHP
CCNCOc1cc(OCC[NH2+]C)c2c3c1[C@H](C[NH2+]C)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO4	ZINC000085567518	565142891	/nfs/dbraw/zinc/14/28/91/565142891.db2.gz	RQAXOEZQZQWKJE-XQAQSKLSSA-N	2	3	620.747	3.615	1	0	biogenic,in-vitro	KHAFHP
CC(C)C[C@@H](CN)[NH2+]C[C@H](Cc1ccccc1)N(C)C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N(C)C	ZINC000299832729	562885900	/nfs/dbraw/zinc/88/59/00/562885900.db2.gz	QUXILWJXHHBYCZ-ORYMTKCHSA-N	2	3	523.810	3.835	1	0		KHAFHP
CC(C)C[C@@H](CN)[NH2+]C[C@H](Cc1ccccc1)N(C)C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N(C)C	ZINC000299832729	562885899	/nfs/dbraw/zinc/88/58/99/562885899.db2.gz	QUXILWJXHHBYCZ-ORYMTKCHSA-N	2	3	523.810	3.835	1	0		KHAFHP