smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1cc2c(cc1O)[C@H]1c3ccccc3CC[NH2+][C@@H]1CC2	ZINC000013605862	170568507	/nfs/dbraw/zinc/56/85/07/170568507.db2.gz	RPGZNBRXSQMSKC-CRAIPNDOSA-N	1	0	281.355	2.690	1	10		CFCFRO
C[C@H]1Cc2cc(O)c(O)cc2[C@H]2c3ccccc3C[NH2+][C@H]12	ZINC000072106388	176316337	/nfs/dbraw/zinc/31/63/37/176316337.db2.gz	GWUDMGMAIKWWRG-UFMUVLMGSA-N	1	0	281.355	2.894	1	10		CFCFRO
Cc1ccc2c(c1)[C@@H]1c3cc(O)c(O)cc3CC[C@H]1[NH2+]C2	ZINC000013478188	170555133	/nfs/dbraw/zinc/55/51/33/170555133.db2.gz	DUJBUFXUMONRHW-CRAIPNDOSA-N	1	0	281.355	2.956	1	10		CFCFRO
Oc1cc2c(cc1O)[C@@H]1c3ccccc3CC[C@@H]1[NH2+]CC2	ZINC000072105175	176316343	/nfs/dbraw/zinc/31/63/43/176316343.db2.gz	NAEDEEABHJUYHB-YJBOKZPZSA-N	1	0	281.355	2.690	1	10		CFCFRO
O=C1Nc2cc(C[NH+]3CCCC3)ccc2N2CCCC[C@H]12	ZINC000043018714	581100864	/nfs/dbraw/zinc/10/08/64/581100864.db2.gz	CFSCMJAXYYFBFU-MRXNPFEDSA-N	1	0	285.391	2.593	1	10		CFCFRO
O=C1Nc2cc(C[NH+]3CCCC3)ccc2N2CCCC[C@@H]12	ZINC000043018717	581100798	/nfs/dbraw/zinc/10/07/98/581100798.db2.gz	CFSCMJAXYYFBFU-INIZCTEOSA-N	1	0	285.391	2.593	1	10		CFCFRO
C[NH2+]C[C@@H]1O[C@H](C2CCCCC2)Cc2c(O)c(O)ccc21	ZINC000003787672	169912599	/nfs/dbraw/zinc/91/25/99/169912599.db2.gz	CQTDHZQZXNNVLA-HOTGVXAUSA-N	1	0	291.391	2.880	1	10		CFCFRO
Oc1cc2c(cc1O)[C@H]1c3ccccc3CC[C@@H]1[NH2+]CC2	ZINC000072105231	176316564	/nfs/dbraw/zinc/31/65/64/176316564.db2.gz	NAEDEEABHJUYHB-MAUKXSAKSA-N	1	0	281.355	2.690	1	10		CFCFRO
C[C@@]1([NH3+])Cc2cc(O)c(O)cc2[C@@]1(C)c1ccccc1	ZINC000027428152	171517407	/nfs/dbraw/zinc/51/74/07/171517407.db2.gz	HMBQZQRSXKUUEB-IAGOWNOFSA-N	1	0	269.344	2.677	1	10		CFCFRO
C[C@@H]1CCCCN1/[N+](O)=N/OCc1ccc([N+](=O)[O-])cc1	ZINC000096932937	185132534	/nfs/dbraw/zinc/13/25/34/185132534.db2.gz	SCRINHPFJUOWCN-YOEHMKRZSA-N	1	0	294.311	2.778	1	10		CFCFRO
C[N+]1(C)CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000040442119	174262780	/nfs/dbraw/zinc/26/27/80/174262780.db2.gz	CWQHOSIQPZQRBC-CQSZACIVSA-O	1	0	282.363	2.995	1	10		CFCFRO
CCCNC(=O)c1cc(C[NH+](C)C)c(O)c(C(C)(C)C)c1	ZINC000072170762	176333212	/nfs/dbraw/zinc/33/32/12/176333212.db2.gz	GRLALJCGXMOBRS-UHFFFAOYSA-N	1	0	292.423	2.891	1	10		CFCFRO
COc1ccc(C[C@H]2[NH2+]CCc3cc(O)c(O)cc32)cc1	ZINC000096829759	185115354	/nfs/dbraw/zinc/11/53/54/185115354.db2.gz	FWQAUIPLDHTNCB-OAHLLOKOSA-N	1	0	285.343	2.536	1	10		CFCFRO
COc1ccc2c(c1O)[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC2	ZINC000034310303	560087380	/nfs/dbraw/zinc/08/73/80/560087380.db2.gz	QRKWLDOOAQAGAE-OAHLLOKOSA-N	1	0	299.370	2.878	1	10	endogenous,in-man	CFCFRO
COc1ccc(C[C@H]2[NH2+]CCc3ccc(OC)c(O)c32)cc1	ZINC000015263001	560229906	/nfs/dbraw/zinc/22/99/06/560229906.db2.gz	KRFKJAVTNDLYGI-OAHLLOKOSA-N	1	0	299.370	2.839	1	10	biogenic,in-vitro	CFCFRO
CN(C)c1ccc(C([NH3+])c2ccc(N(C)C)cc2)cc1	ZINC000011737272	170437777	/nfs/dbraw/zinc/43/77/77/170437777.db2.gz	SGTJPINAQYDQHG-UHFFFAOYSA-N	1	0	269.392	2.867	2	10	in-vitro	CFCFRO
CCC[N@@H+]1CC[C@H]2CCc3cc(O)c(O)cc3[C@H]2C1	ZINC000071280448	176108945	/nfs/dbraw/zinc/10/89/45/176108945.db2.gz	JINMEYABTYRTEZ-RISCZKNCSA-N	1	0	261.365	2.860	1	10		CFCFRO
C[C@H]1CCCCN1/[N+](O)=N/OCc1ccc([N+](=O)[O-])cc1	ZINC000096932938	185132463	/nfs/dbraw/zinc/13/24/63/185132463.db2.gz	SCRINHPFJUOWCN-KFZGLNKMSA-N	1	0	294.311	2.778	1	10		CFCFRO
CCC[NH2+]CCCCCCN(CCC)N(O)N=O	ZINC000027560090	171522247	/nfs/dbraw/zinc/52/22/47/171522247.db2.gz	VUVMLIDIAIBIDX-PEZBUJJGSA-N	1	0	260.382	2.525	1	10		CFCFRO
COc1ccc(N2CC[N+]3(CC2)CCCCCC3)cc1	ZINC000066111942	717133142	/nfs/dbraw/zinc/13/31/42/717133142.db2.gz	AVNUHBCAOJYNBS-UHFFFAOYSA-N	1	0	275.416	2.906	1	10		CFCFRO
[NH3+][C@@H]1Cc2cc(O)c(O)cc2[C@H](c2ccccc2)C1	ZINC000013557329	170562319	/nfs/dbraw/zinc/56/23/19/170562319.db2.gz	SSUNCBAILFPJRJ-OLZOCXBDSA-N	1	0	255.317	2.503	1	10		CFCFRO
Oc1cc2c(cc1O)[C@H]1c3ccccc3SC[C@@H]1[NH2+]CC2	ZINC000072106000	176316262	/nfs/dbraw/zinc/31/62/62/176316262.db2.gz	ZQVMLHMNAQPWOQ-SUMWQHHRSA-N	1	0	299.395	2.850	1	10		CFCFRO
C[C@@H]1Cc2cc(O)c(O)cc2[C@H]2c3ccccc3C[NH2+][C@H]12	ZINC000072104596	176315650	/nfs/dbraw/zinc/31/56/50/176315650.db2.gz	GWUDMGMAIKWWRG-AQQIJUCISA-N	1	0	281.355	2.894	1	10		CFCFRO
COc1ccc(OC)c2c1-c1ccccc1C2[N+]#N	ZINC000040568187	174338060	/nfs/dbraw/zinc/33/80/60/174338060.db2.gz	ISUWHPNIFHAUMN-UHFFFAOYSA-N	1	0	252.273	2.751	1	10		CFCFRO
Oc1cc2c3c(c1O)CC[C@H]3C[NH2+]C[C@@H]2c1ccccc1	ZINC000028758308	171572933	/nfs/dbraw/zinc/57/29/33/171572933.db2.gz	XLHXRZHPZSBATD-SWLSCSKDSA-N	1	0	281.355	2.863	1	10		CFCFRO
COc1ccc(N2CC[N+]3(CCCCC3)CC2)cc1	ZINC000066077658	717132625	/nfs/dbraw/zinc/13/26/25/717132625.db2.gz	YSMVKFIWUNORHV-UHFFFAOYSA-N	1	0	261.389	2.516	1	10		CFCFRO