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(CNC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1	ZINC000171645251	546217018	/nfs/dbraw/zinc/21/70/18/546217018.db2.gz	QCUZFCOARJLDGY-SFHVURJKSA-N	2	2	367.497	2.198	10	10		FECELP
CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1	ZINC000171645251	546217023	/nfs/dbraw/zinc/21/70/23/546217023.db2.gz	QCUZFCOARJLDGY-SFHVURJKSA-N	2	2	367.497	2.198	10	10		FECELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000106215733	543219418	/nfs/dbraw/zinc/21/94/18/543219418.db2.gz	BOUVBOQBZKOAAH-LJQANCHMSA-N	2	2	369.513	2.465	10	10		FECELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000106215733	543219420	/nfs/dbraw/zinc/21/94/20/543219420.db2.gz	BOUVBOQBZKOAAH-LJQANCHMSA-N	2	2	369.513	2.465	10	10		FECELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000106215737	543219263	/nfs/dbraw/zinc/21/92/63/543219263.db2.gz	BOUVBOQBZKOAAH-IBGZPJMESA-N	2	2	369.513	2.465	10	10		FECELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000106215737	543219264	/nfs/dbraw/zinc/21/92/64/543219264.db2.gz	BOUVBOQBZKOAAH-IBGZPJMESA-N	2	2	369.513	2.465	10	10		FECELP
CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1	ZINC000171645249	546217292	/nfs/dbraw/zinc/21/72/92/546217292.db2.gz	QCUZFCOARJLDGY-GOSISDBHSA-N	2	2	367.497	2.198	10	10		FECELP
CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1	ZINC000171645249	546217295	/nfs/dbraw/zinc/21/72/95/546217295.db2.gz	QCUZFCOARJLDGY-GOSISDBHSA-N	2	2	367.497	2.198	10	10		FECELP
COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1	ZINC000182346659	547476604	/nfs/dbraw/zinc/47/66/04/547476604.db2.gz	YYNRFSOYRMIIJY-QAPCUYQASA-N	2	2	356.466	2.471	10	10		FECELP
COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c1	ZINC000182346659	547476610	/nfs/dbraw/zinc/47/66/10/547476610.db2.gz	YYNRFSOYRMIIJY-QAPCUYQASA-N	2	2	356.466	2.471	10	10		FECELP
CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cc(Cl)ccc3O)CC2)C1	ZINC000121044138	671941281	/nfs/dbraw/zinc/94/12/81/671941281.db2.gz	DGUDPQOVIXPOEV-GOSISDBHSA-N	2	2	367.921	2.272	10	10		FECELP
CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cc(Cl)ccc3O)CC2)C1	ZINC000121044138	671941283	/nfs/dbraw/zinc/94/12/83/671941283.db2.gz	DGUDPQOVIXPOEV-GOSISDBHSA-N	2	2	367.921	2.272	10	10		FECELP
COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1	ZINC000182346640	547475917	/nfs/dbraw/zinc/47/59/17/547475917.db2.gz	YYNRFSOYRMIIJY-YJBOKZPZSA-N	2	2	356.466	2.471	10	10		FECELP
COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c1	ZINC000182346640	547475920	/nfs/dbraw/zinc/47/59/20/547475920.db2.gz	YYNRFSOYRMIIJY-YJBOKZPZSA-N	2	2	356.466	2.471	10	10		FECELP
C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)OCO3)C1	ZINC000190480668	548326233	/nfs/dbraw/zinc/32/62/33/548326233.db2.gz	ITWLLYDSWOBYSP-INIZCTEOSA-N	2	2	355.438	2.470	10	10		FECELP
C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)OCO3)C1	ZINC000190480668	548326237	/nfs/dbraw/zinc/32/62/37/548326237.db2.gz	ITWLLYDSWOBYSP-INIZCTEOSA-N	2	2	355.438	2.470	10	10		FECELP
C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1	ZINC000190480668	548326242	/nfs/dbraw/zinc/32/62/42/548326242.db2.gz	ITWLLYDSWOBYSP-INIZCTEOSA-N	2	2	355.438	2.470	10	10		FECELP
C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1	ZINC000190480668	548326247	/nfs/dbraw/zinc/32/62/47/548326247.db2.gz	ITWLLYDSWOBYSP-INIZCTEOSA-N	2	2	355.438	2.470	10	10		FECELP
CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cc(Cl)ccc3O)CC2)C1	ZINC000121044299	671941232	/nfs/dbraw/zinc/94/12/32/671941232.db2.gz	DGUDPQOVIXPOEV-SFHVURJKSA-N	2	2	367.921	2.272	10	10		FECELP
CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cc(Cl)ccc3O)CC2)C1	ZINC000121044299	671941235	/nfs/dbraw/zinc/94/12/35/671941235.db2.gz	DGUDPQOVIXPOEV-SFHVURJKSA-N	2	2	367.921	2.272	10	10		FECELP
Nc1c2ccccc2[nH+]c2c(C(=O)NCC[NH+]3CCOCC3)cccc12	ZINC000006117624	560205287	/nfs/dbraw/zinc/20/52/87/560205287.db2.gz	CUJXCTHCYRNLIF-UHFFFAOYSA-N	2	2	350.422	2.032	10	10	in-vitro	FECELP
C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(N2CCOCC2)c(F)c1	ZINC000151342186	544530252	/nfs/dbraw/zinc/53/02/52/544530252.db2.gz	KKTDPVNCNLFEHP-FUHWJXTLSA-N	2	2	365.493	2.160	10	10		FECELP
C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(N2CCOCC2)c(F)c1	ZINC000151342064	544530505	/nfs/dbraw/zinc/53/05/05/544530505.db2.gz	KKTDPVNCNLFEHP-WMZOPIPTSA-N	2	2	365.493	2.160	10	10		FECELP
C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(N2CCOCC2)c(F)c1	ZINC000151342127	544530133	/nfs/dbraw/zinc/53/01/33/544530133.db2.gz	KKTDPVNCNLFEHP-AEFFLSMTSA-N	2	2	365.493	2.160	10	10		FECELP
COc1cc(O)c(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1OC	ZINC000180095555	547051548	/nfs/dbraw/zinc/05/15/48/547051548.db2.gz	KIIGPXMMHCHHDL-UHFFFAOYSA-N	2	2	374.485	2.202	10	10		FECELP
COc1cc(O)c(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1OC	ZINC000180095555	547051551	/nfs/dbraw/zinc/05/15/51/547051551.db2.gz	KIIGPXMMHCHHDL-UHFFFAOYSA-N	2	2	374.485	2.202	10	10		FECELP
C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc3c(cc2O)OCO3)C1	ZINC000190480686	548326059	/nfs/dbraw/zinc/32/60/59/548326059.db2.gz	ITWLLYDSWOBYSP-MRXNPFEDSA-N	2	2	355.438	2.470	10	10		FECELP
C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc3c(cc2O)OCO3)C1	ZINC000190480686	548326065	/nfs/dbraw/zinc/32/60/65/548326065.db2.gz	ITWLLYDSWOBYSP-MRXNPFEDSA-N	2	2	355.438	2.470	10	10		FECELP
C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1	ZINC000190480686	548326071	/nfs/dbraw/zinc/32/60/71/548326071.db2.gz	ITWLLYDSWOBYSP-MRXNPFEDSA-N	2	2	355.438	2.470	10	10		FECELP
C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1	ZINC000190480686	548326076	/nfs/dbraw/zinc/32/60/76/548326076.db2.gz	ITWLLYDSWOBYSP-MRXNPFEDSA-N	2	2	355.438	2.470	10	10		FECELP
C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(N2CCOCC2)c(F)c1	ZINC000151342248	544530206	/nfs/dbraw/zinc/53/02/06/544530206.db2.gz	KKTDPVNCNLFEHP-SJLPKXTDSA-N	2	2	365.493	2.160	10	10		FECELP