smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000443415277	457761385	/nfs/dbraw/zinc/76/13/85/457761385.db2.gz	FHQWEBSXOCVUKD-UHFFFAOYSA-N	-3	3	347.392	3.010	10	30		EGEEHL
CC(=O)[N-]C([N-]c1ccc(F)c(F)c1)(C(F)(F)F)C(F)(F)F	ZINC000003138055	452747018	/nfs/dbraw/zinc/74/70/18/452747018.db2.gz	PIIGLFXUQHHNCM-UHFFFAOYSA-N	-2	3	336.182	3.334	10	30		EGEEHL
O=C1C=C(c2ccc([O-])c3c(O)cccc23)C(=O)c2cccc([O-])c21	ZINC000000899325	560179331	/nfs/dbraw/zinc/17/93/31/560179331.db2.gz	DWPXLJQPGHLLCH-UHFFFAOYSA-N	-2	3	332.311	3.419	10	30	in-vitro	EGEEHL
N#Cc1cccc([C@@H](NCc2cccc(Cl)c2)P(=O)([O-])[O-])c1	ZINC000013004736	453437506	/nfs/dbraw/zinc/43/75/06/453437506.db2.gz	RMDOEWZYQLTTST-HNNXBMFYSA-N	-2	3	336.715	3.178	10	30		EGEEHL
N#Cc1ccsc1C(=O)[N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1	ZINC000436912184	270051494	/nfs/dbraw/zinc/05/14/94/270051494.db2.gz	GSIBCQVTRPXKNH-UHFFFAOYSA-N	-2	3	345.771	3.016	10	30		EGEEHL
[O-]c1cc(/C=N/c2cccc(/N=C/c3ccc(O)c([O-])c3)n2)ccc1O	ZINC000003172467	526339781	/nfs/dbraw/zinc/33/97/81/526339781.db2.gz	KQMMXZYNIJSYCG-CLVAPQHMSA-N	-2	3	349.346	3.405	10	30		EGEEHL
N#Cc1cc([O-])cc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1	ZINC000615486608	460336015	/nfs/dbraw/zinc/33/60/15/460336015.db2.gz	MTKUEALKULJHRB-UHFFFAOYSA-N	-2	3	338.241	3.120	10	30		EGEEHL
CC(=NNc1nnc2c3cccc(C)c3nc-2[n-]1)c1ccccc1[O-]	ZINC000252635902	455825535	/nfs/dbraw/zinc/82/55/35/455825535.db2.gz	XBKQPCQEMNBCRP-UHFFFAOYSA-N	-2	3	332.367	3.356	10	30		EGEEHL
Cc1ccc(-c2nc([N-]C(=O)c3cc(-c4cccnc4)on3)n[n-]2)o1	ZINC000095418909	454207474	/nfs/dbraw/zinc/20/74/74/454207474.db2.gz	DDKVSILCDGBFQI-UHFFFAOYSA-N	-2	3	336.311	3.059	10	30		EGEEHL
O=C([O-])c1cccc(NC(=S)N/N=C/c2cc(Cl)ccc2[O-])c1	ZINC000000234625	304263452	/nfs/dbraw/zinc/26/34/52/304263452.db2.gz	USYCRXALBNDUKJ-CAOOACKPSA-N	-2	3	349.799	3.064	10	30		EGEEHL
S=c1[n-]nc(NN=Cc2ccccc2OCc2ccccc2)[n-]1	ZINC000006339643	526387925	/nfs/dbraw/zinc/38/79/25/526387925.db2.gz	XYNSNCGIYIYVBZ-LICLKQGHSA-N	-2	3	325.397	3.492	10	30		EGEEHL
[O-]c1ccccc1C=NNc1nnc2c3cc(Cl)ccc3nc-2[n-]1	ZINC000040827549	213391077	/nfs/dbraw/zinc/39/10/77/213391077.db2.gz	OLCMHFPQDMDLQR-QGMBQPNBSA-N	-2	3	338.758	3.311	10	30		EGEEHL
C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000443415652	457762492	/nfs/dbraw/zinc/76/24/92/457762492.db2.gz	GPZCROYOTINHNG-UHFFFAOYSA-N	-2	3	348.380	3.220	10	30		EGEEHL
CCCCCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000003021017	520038029	/nfs/dbraw/zinc/03/80/29/520038029.db2.gz	GWUYLZRLEGYXKQ-UHFFFAOYSA-N	-2	3	331.409	3.163	10	30		EGEEHL
CCCCCCCOc1ccc(Cc2c([O-])[nH]c(=S)[n-]c2=O)cc1	ZINC000103614508	219317061	/nfs/dbraw/zinc/31/70/61/219317061.db2.gz	CFURONNEEGCTID-UHFFFAOYSA-N	-2	3	348.468	3.137	10	30		EGEEHL
CCCCN([O-])C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-]	ZINC001306897202	1383916660	/nfs/dbraw/zinc/91/66/60/1383916660.db2.gz	CSOIUZATUVOOIL-UHFFFAOYSA-N	-2	3	343.305	3.228	10	30		EGEEHL
C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-]	ZINC000443418072	457761881	/nfs/dbraw/zinc/76/18/81/457761881.db2.gz	MQUOOCWWNILZMJ-UHFFFAOYSA-N	-2	3	333.409	3.320	10	30		EGEEHL
N#Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])cc1[O-]	ZINC000443571662	268206469	/nfs/dbraw/zinc/20/64/69/268206469.db2.gz	ZEODHZCQSACHPJ-UHFFFAOYSA-N	-2	3	338.241	3.120	10	30		EGEEHL
N#Cc1cccc([C@H](NCc2cccc(Cl)c2)P(=O)([O-])[O-])c1	ZINC000013004735	453437540	/nfs/dbraw/zinc/43/75/40/453437540.db2.gz	RMDOEWZYQLTTST-OAHLLOKOSA-N	-2	3	336.715	3.178	10	30		EGEEHL
CC(=O)c1cccc2c1[N-]C(=C1[N-]c3c(cccc3C(C)=O)C1=O)C2=O	ZINC000103637727	454564882	/nfs/dbraw/zinc/56/48/82/454564882.db2.gz	NGHFBPAFTMSWPC-ZCXUNETKSA-N	-2	3	346.342	3.220	10	30		EGEEHL