smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)c(O)c2c1C[C@](C)(Cc1ccccc1)[C@@H]2[NH3+]	ZINC000026165543	171474310	/nfs/dbraw/zinc/47/43/10/171474310.db2.gz	HPSFKDGQHNQPQR-MOPGFXCFSA-N	1	0	281.399	3.814	1	10		CHCFRO
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([NH2+]Cc1ccccc1O)C2	ZINC000004480137	567938274	/nfs/dbraw/zinc/93/82/74/567938274.db2.gz	AVTKPBRAYCSVAB-KMFMINBZSA-N	1	0	259.393	3.697	1	10		CHCFRO
CCCC[NH+](CCCC)[C@H]1CCc2cc(O)c(O)cc2C1	ZINC000169323532	188658234	/nfs/dbraw/zinc/65/82/34/188658234.db2.gz	URMCYYMOTGZKHY-INIZCTEOSA-N	1	0	291.435	3.857	1	10		CHCFRO
[NH3+]Cc1cc(Cc2ccnc3cc(Cl)ccc23)ccc1O	ZINC000040392993	174252124	/nfs/dbraw/zinc/25/21/24/174252124.db2.gz	HKHIYBMHAHQXHT-UHFFFAOYSA-N	1	0	298.773	3.643	1	10		CHCFRO
Cc1cc(C[NH+]2CCCC2)c(C)n1-c1ccc(F)cc1	ZINC000095615551	185015904	/nfs/dbraw/zinc/01/59/04/185015904.db2.gz	LPRVJXBPLZQOJQ-UHFFFAOYSA-N	1	0	272.367	3.829	1	10		CHCFRO
CCN1c2cc(C)ccc2S/C1=C/c1cccc[n+]1C	ZINC000002480458	169794213	/nfs/dbraw/zinc/79/42/13/169794213.db2.gz	ZNWMUMQIBVZPGS-UHFFFAOYSA-N	1	0	283.420	3.750	1	10		CHCFRO
C[NH+](C)CCc1cc(O)c(O)c2c3ccccc3ccc12	ZINC000096910326	185129316	/nfs/dbraw/zinc/12/93/16/185129316.db2.gz	KDGLPBJRODNQHP-UHFFFAOYSA-N	1	0	281.355	3.508	1	10		CHCFRO
c1ccc2c(c1)C=C(N1CC[NH2+]CC1)c1ccccc1S2	ZINC000005875253	170149325	/nfs/dbraw/zinc/14/93/25/170149325.db2.gz	MSUDXMIKDYSAOC-UHFFFAOYSA-N	1	0	294.423	3.555	1	10		CHCFRO
COc1cccc2c(O)c(C[NH2+]C3CCCCC3)ccc12	ZINC000045226461	175333354	/nfs/dbraw/zinc/33/33/54/175333354.db2.gz	AYOCTYCQKSYZGJ-UHFFFAOYSA-N	1	0	285.387	3.976	1	10		CHCFRO
Oc1ccc2c(c1C[NH2+]C1CCCCC1)CCCC2	ZINC000045302455	175355196	/nfs/dbraw/zinc/35/51/96/175355196.db2.gz	FFRIHUYGDVBLNB-UHFFFAOYSA-N	1	0	259.393	3.693	1	10		CHCFRO
CCCC[NH+](CCCC)[C@@H](C)Cc1ccc(O)c(O)c1	ZINC000169322899	188658018	/nfs/dbraw/zinc/65/80/18/188658018.db2.gz	ZTBWZEYPHSZMEV-AWEZNQCLSA-N	1	0	279.424	3.931	1	10		CHCFRO
CC1(C)[C@H]2CC[C@]1(C)[C@@H]([NH2+]Cc1ccccc1O)C2	ZINC000016275938	567944408	/nfs/dbraw/zinc/94/44/08/567944408.db2.gz	AVTKPBRAYCSVAB-JLJPHGGASA-N	1	0	259.393	3.697	1	10		CHCFRO
Cc1cc(C)c(O)c2c1C[C@](C)(c1ccccc1)[C@@H]2[NH3+]	ZINC000026161582	171473629	/nfs/dbraw/zinc/47/36/29/171473629.db2.gz	MOSNTSYUHVFBDH-QZTJIDSGSA-N	1	0	267.372	3.523	1	10		CHCFRO
Nc1c2ccccc2[nH+]c2cc(C(F)(F)F)ccc12	ZINC000045302209	175354981	/nfs/dbraw/zinc/35/49/81/175354981.db2.gz	QMYXIDFAHHRUHP-UHFFFAOYSA-N	1	0	262.234	3.989	1	10		CHCFRO
CC[N+](C)(C)c1ccc(/C=C/c2ccncc2)cc1	ZINC000036381160	567889294	/nfs/dbraw/zinc/88/92/94/567889294.db2.gz	FUQAMHWHQLPRDB-AATRIKPKSA-N	1	0	253.369	3.839	1	10		CHCFRO
Cc1cc(C)c(O)c2c1C[C@](C)(c1ccccc1)[C@H]2[NH3+]	ZINC000026161569	171473585	/nfs/dbraw/zinc/47/35/85/171473585.db2.gz	MOSNTSYUHVFBDH-ZWKOTPCHSA-N	1	0	267.372	3.523	1	10		CHCFRO
CCC[NH+](CCC)[C@@H]1CCc2cc(O)c(O)c(Cl)c2C1	ZINC000029388955	171596447	/nfs/dbraw/zinc/59/64/47/171596447.db2.gz	KJTICFOYDSADLT-GFCCVEGCSA-N	1	0	297.826	3.731	1	10		CHCFRO
CCOc1ccc2[nH+]c3ccc([N+](=O)[O-])cc3c(NC)c2c1	ZINC000004713921	170003455	/nfs/dbraw/zinc/00/34/55/170003455.db2.gz	NQBQASMZCUCYBM-UHFFFAOYSA-N	1	0	297.314	3.737	1	10		CHCFRO
Cc1cc(C)c(O)c2c1C[C@](C)(Cc1ccccc1)[C@H]2[NH3+]	ZINC000026165534	171474183	/nfs/dbraw/zinc/47/41/83/171474183.db2.gz	HPSFKDGQHNQPQR-OALUTQOASA-N	1	0	281.399	3.814	1	10		CHCFRO
CCC[NH+](CCC)C[C@H]1CCCc2c(O)c(O)ccc21	ZINC000029208964	171589330	/nfs/dbraw/zinc/58/93/30/171589330.db2.gz	KPPAYGWQFXJRHH-CYBMUJFWSA-N	1	0	277.408	3.640	1	10		CHCFRO
OCCCCCNc1c2ccccc2[nH+]c2ccccc21	ZINC000005822676	170144165	/nfs/dbraw/zinc/14/41/65/170144165.db2.gz	LPHXZDIAAFATRN-UHFFFAOYSA-N	1	0	280.371	3.963	1	10		CHCFRO