smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[S@+](Cc1ccc2c(c1)C(=O)NCC(=O)N[C@H](CCCC[NH3+])C(=O)N2)c1ccccc1	ZINC000029321192	563077829	/nfs/dbraw/zinc/07/78/29/563077829.db2.gz	FRYWQJAEFKXUBG-QJWGWKRISA-O	2	0	441.577	1.790	1	30		IDEFRP
C[S@@+](Cc1ccc2c(c1)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N2)c1ccccc1	ZINC000029321197	563077833	/nfs/dbraw/zinc/07/78/33/563077833.db2.gz	FRYWQJAEFKXUBG-PKHCJMHPSA-O	2	0	441.577	1.790	1	30		IDEFRP
C=C(C)C[C@]1([NH3+])C[C@H](OC)[C@@H]2[C@H](CC)C[C@H](C(=O)NCc3ccc(C(N)=[NH2+])cc3)N2C1=O	ZINC000026741561	563036247	/nfs/dbraw/zinc/03/62/47/563036247.db2.gz	ZDEJXRLDHXDDRW-BJVKBHAYSA-N	2	0	441.576	1.665	1	30		IDEFRP
C[S@+](Cc1ccc2c(c1)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N2)c1ccccc1	ZINC000029321201	563077834	/nfs/dbraw/zinc/07/78/34/563077834.db2.gz	FRYWQJAEFKXUBG-GEFUHLBYSA-O	2	0	441.577	1.790	1	30		IDEFRP
COCn1cc(NC2=CC3=[NH+]CCc4cn(C)c(c43)C2=O)cc1C(=O)NCCC[NH+](C)C	ZINC000026279961	563030647	/nfs/dbraw/zinc/03/06/47/563030647.db2.gz	CLZJQAQWLLOGMY-UHFFFAOYSA-N	2	0	438.532	1.650	1	30		IDEFRP
CCCCCCCCS(=O)(=O)NCCC[NH2+]CCC[NH2+]CCCC[NH2+]CCC[NH3+]	ZINC000043543921	563120717	/nfs/dbraw/zinc/12/07/17/563120717.db2.gz	KYKMXVQPJCBMOO-UHFFFAOYSA-N	4	0	435.723	1.944	1	30		IDEFRP
C[S@+](Cc1ccc2cc1C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N2)c1ccccc1	ZINC000029331698	563078188	/nfs/dbraw/zinc/07/81/88/563078188.db2.gz	UKFKSUWFKBRRJK-GEFUHLBYSA-O	2	0	441.577	1.790	1	30		IDEFRP
CC(C)[C@H]([NH3+])C(=O)N[C@]1(Cc2ccccc2)CC[N@+]2(CCC[C@H]2C(=O)NC(C)(C)C)[C@@H]1O	ZINC000299808541	717180310	/nfs/dbraw/zinc/18/03/10/717180310.db2.gz	PPSAGGRGVCOHKQ-IMULDNECSA-O	2	0	445.628	1.683	1	30		IDEFRP
CC(C)[C@H]([NH3+])C(=O)N[C@]1(Cc2ccccc2)CC[N@+]2(CCC[C@H]2C(=O)NC(C)(C)C)[C@H]1O	ZINC000299808542	717180220	/nfs/dbraw/zinc/18/02/20/717180220.db2.gz	PPSAGGRGVCOHKQ-LVAMWAPGSA-O	2	0	445.628	1.683	1	30		IDEFRP
C[S@+](Cc1ccc2cc1C(=O)NCC(=O)N[C@H](CCCC[NH3+])C(=O)N2)c1ccccc1	ZINC000029331688	563078077	/nfs/dbraw/zinc/07/80/77/563078077.db2.gz	UKFKSUWFKBRRJK-QJWGWKRISA-O	2	0	441.577	1.790	1	30		IDEFRP
CC(C)[C@H]([NH3+])C(=O)N[C@]1(Cc2ccccc2)CC[N@@+]2(CCC[C@H]2C(=O)NC(C)(C)C)[C@@H]1O	ZINC000299808543	717180378	/nfs/dbraw/zinc/18/03/78/717180378.db2.gz	PPSAGGRGVCOHKQ-WIEIXQTKSA-O	2	0	445.628	1.683	1	30		IDEFRP
CC(C)[C@H]([NH3+])C(=O)N[C@]1(Cc2ccccc2)CC[N+]2(CCC[C@H]2C(=O)NC(C)(C)C)[C@@H]1O	ZINC000040394805	717127242	/nfs/dbraw/zinc/12/72/42/717127242.db2.gz	PPSAGGRGVCOHKQ-XRBKXWGNSA-O	2	0	445.628	1.683	1	30		IDEFRP
C[S@@+](Cc1ccc2c(c1)C(=O)NCC(=O)N[C@H](CCCC[NH3+])C(=O)N2)c1ccccc1	ZINC000029321187	563077832	/nfs/dbraw/zinc/07/78/32/563077832.db2.gz	FRYWQJAEFKXUBG-PLTNMMHCSA-O	2	0	441.577	1.790	1	30		IDEFRP
C[S@@+](Cc1ccc2cc1C(=O)NCC(=O)N[C@H](CCCC[NH3+])C(=O)N2)c1ccccc1	ZINC000029331683	563078095	/nfs/dbraw/zinc/07/80/95/563078095.db2.gz	UKFKSUWFKBRRJK-PLTNMMHCSA-O	2	0	441.577	1.790	1	30		IDEFRP
C=C(C)C[C@]1([NH3+])C[C@H](OC)[C@@H]2[C@H](CC)C[C@@H](C(=O)NCc3ccc(C(N)=[NH2+])cc3)N2C1=O	ZINC000013818747	563009699	/nfs/dbraw/zinc/00/96/99/563009699.db2.gz	ZDEJXRLDHXDDRW-ZKXSJOPJSA-N	2	0	441.576	1.665	1	30		IDEFRP
C[S@@+](Cc1ccc2cc1C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N2)c1ccccc1	ZINC000029331693	563078177	/nfs/dbraw/zinc/07/81/77/563078177.db2.gz	UKFKSUWFKBRRJK-PKHCJMHPSA-O	2	0	441.577	1.790	1	30		IDEFRP
CC(C)[C@H]([NH3+])C(=O)N[C@]1(Cc2ccccc2)CC[N+]2(CCC[C@H]2C(=O)NC(C)(C)C)[C@H]1O	ZINC000040394806	717127389	/nfs/dbraw/zinc/12/73/89/717127389.db2.gz	PPSAGGRGVCOHKQ-OJIMZGBGSA-O	2	0	445.628	1.683	1	30		IDEFRP
CC(C)[C@H]([NH3+])C(=O)N[C@]1(Cc2ccccc2)CC[N@@+]2(CCC[C@H]2C(=O)NC(C)(C)C)[C@H]1O	ZINC000299808540	717180459	/nfs/dbraw/zinc/18/04/59/717180459.db2.gz	PPSAGGRGVCOHKQ-HMZNIFHKSA-O	2	0	445.628	1.683	1	30		IDEFRP