smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[C@H]1Oc2ccccc2N([O-])C1=O	ZINC000032220493	132335071	/nfs/dbraw/zinc/33/50/71/132335071.db2.gz	GJHDKZXQOXNSJC-LLVKDONJSA-N	-1	3	221.256	2.360	1	30		BEEFHM
CCCC[C@@H]1Oc2ccccc2N([O-])C1=O	ZINC000032220492	534959031	/nfs/dbraw/zinc/95/90/31/534959031.db2.gz	GJHDKZXQOXNSJC-NSHDSACASA-N	-1	3	221.256	2.360	1	30		BEEFHM
O=C(c1ccccc1[O-])C1=CCCN2CCC[C@@H]12	ZINC000049088993	188298860	/nfs/dbraw/zinc/29/88/60/188298860.db2.gz	HOBPPDCRYVOZBO-ZDUSSCGKSA-N	-1	3	243.306	2.369	1	30		BEEFHM
O=C(N[O-])C1c2ccccc2-c2ccccc21	ZINC000103251599	182279007	/nfs/dbraw/zinc/27/90/07/182279007.db2.gz	LEYJMVDNPXDXSO-UHFFFAOYSA-N	-1	3	225.247	2.304	1	30		BEEFHM
C=CCc1ccc2c(c1[O-])C(=O)C=C(C)C2=O	ZINC000169350639	188338381	/nfs/dbraw/zinc/33/83/81/188338381.db2.gz	GCACTZWWPFKQPJ-UHFFFAOYSA-N	-1	3	228.247	2.446	1	30		BEEFHM
CCCCOc1ccc([C@H](C)C(=O)N[O-])cc1	ZINC000169304747	188337821	/nfs/dbraw/zinc/33/78/21/188337821.db2.gz	LSBPVXOUGZCVRQ-JTQLQIEISA-N	-1	3	237.299	2.474	1	30		BEEFHM
C=C1c2c(nc[n-]c2=O)O[C@]1(C)c1ccccc1	ZINC000103252083	187363802	/nfs/dbraw/zinc/36/38/02/187363802.db2.gz	QMJQWHWUYZMRIW-AWEZNQCLSA-N	-1	3	240.262	2.091	1	30		BEEFHM
[O-]c1c(O)ccc(C=NNc2ccccc2)c1O	ZINC000026269870	183266490	/nfs/dbraw/zinc/26/64/90/183266490.db2.gz	APXQLDWGNTVUKK-RIYZIHGNSA-N	-1	3	244.250	2.249	1	30		BEEFHM
CCCN1CCO[C@@H](c2cc([O-])cc(C#N)c2)C1	ZINC000028957427	169205015	/nfs/dbraw/zinc/20/50/15/169205015.db2.gz	JQYNCOPZIHLBIW-CQSZACIVSA-N	-1	3	246.310	2.047	1	30		BEEFHM
C=CCc1ccc2c(c1[O-])C(=O)C=CC2=O	ZINC000143358537	187299045	/nfs/dbraw/zinc/29/90/45/187299045.db2.gz	XYISZJRPLANKQN-UHFFFAOYSA-N	-1	3	214.220	2.056	1	30		BEEFHM
C=CCN1C(=O)CS/C1=N/c1cccc([O-])c1	ZINC000061688163	166350949	/nfs/dbraw/zinc/35/09/49/166350949.db2.gz	MPWPVTZWXNZDSQ-OUKQBFOZSA-N	-1	3	248.307	2.141	1	30		BEEFHM
O=C(N[O-])c1ccc(/C=C/c2ccc(O)cc2)o1	ZINC000040914041	182280444	/nfs/dbraw/zinc/28/04/44/182280444.db2.gz	ZXMWCNGIVVSWOO-ZZXKWVIFSA-N	-1	3	245.234	2.275	1	30		BEEFHM
O=C(Cc1ccsc1-c1ccccc1)N[O-]	ZINC000000186610	182059215	/nfs/dbraw/zinc/05/92/15/182059215.db2.gz	BAMGMLIGVKFSBR-UHFFFAOYSA-N	-1	3	233.292	2.463	3	30		BEEFHM
CCCN1CCO[C@H](c2ccc([O-])c(C#N)c2)C1	ZINC000028957459	169205516	/nfs/dbraw/zinc/20/55/16/169205516.db2.gz	ZNLXXODVWATRGR-AWEZNQCLSA-N	-1	3	246.310	2.047	1	30		BEEFHM
C#CCOC(=O)Nc1cc(Cl)ccc1[O-]	ZINC000027313754	166194812	/nfs/dbraw/zinc/19/48/12/166194812.db2.gz	MQXKZBWGIFOJQP-UHFFFAOYSA-N	-1	3	225.631	2.227	1	30		BEEFHM
C=CCc1ccc([O-])c(-c2cc(CO)on2)c1	ZINC000084618322	188098125	/nfs/dbraw/zinc/09/81/25/188098125.db2.gz	YAZCFLYPOOBQPX-UHFFFAOYSA-N	-1	3	231.251	2.268	1	30		BEEFHM
CCCN1CCO[C@H](c2cc([O-])cc(C#N)c2)C1	ZINC000028957430	169205127	/nfs/dbraw/zinc/20/51/27/169205127.db2.gz	JQYNCOPZIHLBIW-AWEZNQCLSA-N	-1	3	246.310	2.047	1	30		BEEFHM
C=CCc1cc(C2=CC(=O)C=CC2=O)ccc1[O-]	ZINC000086024295	290763194	/nfs/dbraw/zinc/76/31/94/290763194.db2.gz	FEGJXAGGLBXBLV-UHFFFAOYSA-N	-1	3	240.258	2.212	1	30	biogenic,in-vitro	BEEFHM
O=C(N[O-])C1c2ccccc2Cc2ccccc21	ZINC000045298518	182279216	/nfs/dbraw/zinc/27/92/16/182279216.db2.gz	SIYRPEHGIQLXJG-UHFFFAOYSA-N	-1	3	239.274	2.228	1	30	in-vivo	BEEFHM
C/C(=C/Cc1cc2c(cc1[O-])CC(=O)C=C2)CO	ZINC000059588026	560082450	/nfs/dbraw/zinc/08/24/50/560082450.db2.gz	BNKPLHIVTXAWFZ-SGAXSIHGSA-N	-1	3	244.290	2.012	1	30	biogenic,in-vitro	BEEFHM
[O-]c1cc(O)ccc1/C=N\c1ccncc1	ZINC000103275593	183266808	/nfs/dbraw/zinc/26/68/08/183266808.db2.gz	OLDTVDSYDKCYLF-ZSOIEALJSA-N	-1	3	214.224	2.243	1	30		BEEFHM
O=C(N[O-])c1ccc(/C=C/c2ccccc2O)o1	ZINC000040406383	182280838	/nfs/dbraw/zinc/28/08/38/182280838.db2.gz	JYWPGDYURGSVMW-AATRIKPKSA-N	-1	3	245.234	2.275	1	30		BEEFHM
N#CC=C([O-])c1c[nH]c2ccc(C#N)cc12	ZINC000169312591	181034451	/nfs/dbraw/zinc/03/44/51/181034451.db2.gz	JZNZZUQOMOIYDM-UHFFFAOYSA-N	-1	3	209.208	2.136	1	30		BEEFHM
O=C(CC12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2)N[O-]	ZINC000095592300	181883349	/nfs/dbraw/zinc/88/33/49/181883349.db2.gz	XCEXDHZVHYDBFQ-LRSDLPTKSA-N	-1	3	243.734	2.460	1	30		BEEFHM
[O-]c1c(C=Nc2nc[nH]n2)ccc2ccccc12	ZINC000013130610	183252590	/nfs/dbraw/zinc/25/25/90/183252590.db2.gz	KMKDBJRZLMJMIR-VGOFMYFVSA-N	-1	3	238.250	2.414	1	30		BEEFHM
N#Cc1cccc(-c2cccc(-c3nnn[n-]3)c2)c1	ZINC000084689035	181133700	/nfs/dbraw/zinc/13/37/00/181133700.db2.gz	SPYYLXWVVCYEME-UHFFFAOYSA-N	-1	3	247.261	2.405	1	30		BEEFHM
N#Cc1cccc(-c2cccc(-c3nn[n-]n3)c2)c1	ZINC000084689035	181133702	/nfs/dbraw/zinc/13/37/02/181133702.db2.gz	SPYYLXWVVCYEME-UHFFFAOYSA-N	-1	3	247.261	2.405	1	30		BEEFHM
CCCN1CCO[C@@H](c2ccc([O-])c(C#N)c2)C1	ZINC000028957458	169204336	/nfs/dbraw/zinc/20/43/36/169204336.db2.gz	ZNLXXODVWATRGR-CQSZACIVSA-N	-1	3	246.310	2.047	1	30		BEEFHM