smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(-c2ccccc2[O-])nc2[nH]c(-c3ccccc3)nc21	ZINC000011694709	211237294	/nfs/dbraw/zinc/23/72/94/211237294.db2.gz	GOONSRHDQFVFOR-UHFFFAOYSA-N	-2	3	331.331	3.696	50	0		EHAAHL
Cc1ccc(C(=O)C=C([O-])c2ccc(Br)cc2)c([O-])c1	ZINC000100640325	563982686	/nfs/dbraw/zinc/98/26/86/563982686.db2.gz	PQJACAMSQQHBIW-UHFFFAOYSA-N	-2	3	333.181	3.919	50	0		EHAAHL
Cc1ccc(C(=O)C=C([O-])c2cccc(Br)c2)c([O-])c1	ZINC000216629458	241202363	/nfs/dbraw/zinc/20/23/63/241202363.db2.gz	AHJJBBIGWFLSIY-UHFFFAOYSA-N	-2	3	333.181	3.919	50	0		EHAAHL
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1C	ZINC000014097285	564112180	/nfs/dbraw/zinc/11/21/80/564112180.db2.gz	LDJFLFUXNLLYHN-UHFFFAOYSA-N	-2	3	347.436	3.728	50	0		EHAAHL
CC(=NNc1ccccc1C(=O)[O-])c1cc(Br)ccc1[O-]	ZINC000252504418	564119905	/nfs/dbraw/zinc/11/99/05/564119905.db2.gz	BAMVBRRQXOFYCA-UHFFFAOYSA-N	-2	3	349.184	3.689	50	0		EHAAHL
O=C([O-])c1ccc(/C=C/C(=O)c2ccc([O-])c(CCCl)c2)cc1	ZINC000013003929	564133616	/nfs/dbraw/zinc/13/36/16/564133616.db2.gz	FWULDBDMMZWRRU-XVNBXDOJSA-N	-2	3	330.767	3.768	50	0		EHAAHL
O=c1[n-]c(-c2cc(Cl)ccc2[O-])nc2c1Cc1ccccc1O2	ZINC000006748415	564096961	/nfs/dbraw/zinc/09/69/61/564096961.db2.gz	ZZGZNJZGVJSGAN-UHFFFAOYSA-N	-2	3	326.739	3.905	50	0		EHAAHL
CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1	ZINC000003215160	563476923	/nfs/dbraw/zinc/47/69/23/563476923.db2.gz	MFFZLTRBQGTWRR-UHFFFAOYSA-N	-2	3	347.436	3.837	50	0		EHAAHL
CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1	ZINC000007053772	564015377	/nfs/dbraw/zinc/01/53/77/564015377.db2.gz	FQDDFIUXSSIXOR-GFCCVEGCSA-N	-2	3	333.409	3.699	50	0		EHAAHL
CCOc1cc(C=NNc2ccc(C(=O)[O-])cc2)cc(Cl)c1[O-]	ZINC000254624290	1040993650	/nfs/dbraw/zinc/99/36/50/1040993650.db2.gz	PUWKWIITVSXGFO-UHFFFAOYSA-N	-2	3	334.759	3.589	50	0		EHAAHL
O=S(=O)([N-]c1ccccc1Cl)c1ccc2[n-]c(=S)oc2c1	ZINC000005556417	563539556	/nfs/dbraw/zinc/53/95/56/563539556.db2.gz	CLCSMCQRGWEMEU-UHFFFAOYSA-N	-2	3	340.813	3.571	50	0		EHAAHL
O=C([O-])Cc1ccccc1-n1ccc(-c2cc(Cl)ccc2[O-])n1	ZINC000067879565	563962958	/nfs/dbraw/zinc/96/29/58/563962958.db2.gz	UQDCYSHGKHKOIL-UHFFFAOYSA-N	-2	3	328.755	3.525	50	0		EHAAHL
O=c1c(-c2ccc(Br)cc2)coc2cc([O-])cc([O-])c12	ZINC000000304562	563277439	/nfs/dbraw/zinc/27/74/39/563277439.db2.gz	TWOWQJIYFREVJJ-UHFFFAOYSA-N	-2	3	333.137	3.634	50	0	biogenic	EHAAHL
O=C(Nc1ccccc1C(F)(F)F)c1c([O-])[n-]c2ccccc2c1=O	ZINC000008995685	563641494	/nfs/dbraw/zinc/64/14/94/563641494.db2.gz	MXWVXZKBPUZQDX-UHFFFAOYSA-N	-2	3	348.280	3.505	50	0		EHAAHL
CC(=NNc1ccc(C(=O)[O-])cc1)c1cc(Br)ccc1[O-]	ZINC000252475279	564119006	/nfs/dbraw/zinc/11/90/06/564119006.db2.gz	XMRZDXIJBKMZLA-UHFFFAOYSA-N	-2	3	349.184	3.689	50	0		EHAAHL
Cc1c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2oc1C(=O)[O-]	ZINC000057509515	564154605	/nfs/dbraw/zinc/15/46/05/564154605.db2.gz	MKVGUYQPNSXTLF-UHFFFAOYSA-N	-2	3	345.376	3.549	50	0		EHAAHL
CC(C)c1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1	ZINC000096747791	601317750	/nfs/dbraw/zinc/31/77/50/601317750.db2.gz	FJQOJYSQWHCAKT-XGICHPGQSA-N	-2	3	345.420	3.709	50	0		EHAAHL
O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2oc(=S)[n-]c2c1	ZINC000006189443	563561067	/nfs/dbraw/zinc/56/10/67/563561067.db2.gz	KJWXTVJPBJYXSI-UHFFFAOYSA-N	-2	3	340.813	3.571	50	0		EHAAHL
C[C@@H](CN[C@@H](c1cccc(Cl)c1)P(=O)([O-])[O-])c1ccccc1	ZINC000012997522	563683840	/nfs/dbraw/zinc/68/38/40/563683840.db2.gz	ASGIEMFZUXVBFN-BLLLJJGKSA-N	-2	3	339.759	3.910	50	0		EHAAHL
O=C([O-])c1cccc(Nc2nc(-c3ccc(O)cc3[O-])cs2)c1	ZINC000000090754	563976509	/nfs/dbraw/zinc/97/65/09/563976509.db2.gz	OSICASGPBKFBQV-UHFFFAOYSA-N	-2	3	328.349	3.663	50	0		EHAAHL
O=P([O-])([O-])[C@@H](NC[C@H]1CCCc2ccccc21)c1ccc(F)cc1	ZINC000012949504	564079804	/nfs/dbraw/zinc/07/98/04/564079804.db2.gz	IZVZWRXPGQHJMQ-CRAIPNDOSA-N	-2	3	349.342	3.712	50	0		EHAAHL
O=C([O-])Cc1ccc(-n2ccc(-c3cc(Cl)ccc3[O-])n2)cc1	ZINC000067880217	563962960	/nfs/dbraw/zinc/96/29/60/563962960.db2.gz	SYKZBQQLJCVPEA-UHFFFAOYSA-N	-2	3	328.755	3.525	50	0		EHAAHL
C[C@H](CN[C@@H](c1ccc(F)c(F)c1)P(=O)([O-])[O-])c1ccccc1	ZINC000012997531	207264098	/nfs/dbraw/zinc/26/40/98/207264098.db2.gz	VOOWOTDGINXRPG-BDJLRTHQSA-N	-2	3	341.294	3.534	50	0		EHAAHL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1	ZINC000014097309	564112200	/nfs/dbraw/zinc/11/22/00/564112200.db2.gz	FPSXCVWBJHMQII-UHFFFAOYSA-N	-2	3	333.409	3.617	50	0		EHAAHL
Cc1nc(C=Cc2cc3ccccc3s2)[n-]c(=O)c1CCC(=O)[O-]	ZINC000588619095	1033524238	/nfs/dbraw/zinc/52/42/38/1033524238.db2.gz	JXPMGRGBSSCNRN-VURMDHGXSA-N	-2	3	340.404	3.893	50	0		EHAAHL
[O-]c1cc(O)ccc1-c1n[n-]c(=S)n1-c1cccc2ncccc21	ZINC000004710609	210256712	/nfs/dbraw/zinc/25/67/12/210256712.db2.gz	RANGGRFKXIPVTL-UHFFFAOYSA-N	-2	3	336.376	3.556	50	0		EHAAHL
Cc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)c1	ZINC000065564926	564107063	/nfs/dbraw/zinc/10/70/63/564107063.db2.gz	NGZZBXNJZFASQV-UHFFFAOYSA-N	-2	3	339.416	3.753	50	0		EHAAHL
Cc1ccccc1CN[C@H](c1cccc(Cl)c1)P(=O)([O-])[O-]	ZINC000012997492	563683819	/nfs/dbraw/zinc/68/38/19/563683819.db2.gz	DJEFIEQGZSTSAG-HNNXBMFYSA-N	-2	3	325.732	3.615	50	0		EHAAHL
O=P([O-])([O-])[C@@H](NC[C@@H]1CCCc2ccccc21)c1ccc(F)cc1	ZINC000012949499	564079816	/nfs/dbraw/zinc/07/98/16/564079816.db2.gz	IZVZWRXPGQHJMQ-MAUKXSAKSA-N	-2	3	349.342	3.712	50	0		EHAAHL
O=P([O-])([O-])[C@H](NC[C@H]1CCCc2ccccc21)c1ccc(F)cc1	ZINC000012949508	564079775	/nfs/dbraw/zinc/07/97/75/564079775.db2.gz	IZVZWRXPGQHJMQ-QAPCUYQASA-N	-2	3	349.342	3.712	50	0		EHAAHL
O=c1[n-]n(C2CCCC2)c2c1[C@H](c1ccc([O-])c(Cl)c1)CC(=O)N2	ZINC000071280680	564174874	/nfs/dbraw/zinc/17/48/74/564174874.db2.gz	VAMQTVZLLAHCCR-NSHDSACASA-N	-2	3	347.802	3.774	50	0		EHAAHL
Cc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000053944080	214205818	/nfs/dbraw/zinc/20/58/18/214205818.db2.gz	DQFVQRBTYKTPCC-UHFFFAOYSA-N	-2	3	333.409	3.617	50	0		EHAAHL
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1C(=O)[O-]	ZINC000013265589	564019627	/nfs/dbraw/zinc/01/96/27/564019627.db2.gz	HWNHSLHWWAZSLR-UHFFFAOYSA-N	-2	3	333.409	3.617	50	0		EHAAHL
Cc1cc2oc(-c3ccc(C(=O)[O-])cc3)c([O-])c(=O)c2cc1Cl	ZINC000031773450	564159811	/nfs/dbraw/zinc/15/98/11/564159811.db2.gz	OAESWBMHXBTDFL-UHFFFAOYSA-N	-2	3	330.723	3.826	50	0		EHAAHL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1	ZINC000013027543	564019360	/nfs/dbraw/zinc/01/93/60/564019360.db2.gz	RIHUISYKFMYWPD-UHFFFAOYSA-N	-2	3	333.409	3.617	50	0		EHAAHL
Cc1c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2oc1C(=O)[O-]	ZINC000057509606	564154610	/nfs/dbraw/zinc/15/46/10/564154610.db2.gz	BIIMJZHDEHJNAW-UHFFFAOYSA-N	-2	3	345.376	3.549	50	0		EHAAHL
CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1	ZINC000007053774	208578348	/nfs/dbraw/zinc/57/83/48/208578348.db2.gz	FQDDFIUXSSIXOR-LBPRGKRZSA-N	-2	3	333.409	3.699	50	0		EHAAHL
O=C([O-])C[C@H](/N=C\c1cc(Br)ccc1[O-])c1ccccc1	ZINC000230138601	563983210	/nfs/dbraw/zinc/98/32/10/563983210.db2.gz	CUSYDOOHCWEMBN-KPYNCUPYSA-N	-2	3	348.196	3.790	50	0		EHAAHL
Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(C)c1C	ZINC000003395038	210027209	/nfs/dbraw/zinc/02/72/09/210027209.db2.gz	HZSWWPADEATJSB-UHFFFAOYSA-N	-2	3	347.436	3.728	50	0		EHAAHL
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000003260429	209992317	/nfs/dbraw/zinc/99/23/17/209992317.db2.gz	ILODIABXYXEPMB-UHFFFAOYSA-N	-2	3	347.436	3.792	50	0		EHAAHL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1	ZINC000012526047	211399146	/nfs/dbraw/zinc/39/91/46/211399146.db2.gz	JIZSNUKSXIJDQP-UHFFFAOYSA-N	-2	3	347.436	3.792	50	0		EHAAHL
Cc1ccccc1CCN[C@@H](c1ccccc1Cl)P(=O)([O-])[O-]	ZINC000012997440	563683848	/nfs/dbraw/zinc/68/38/48/563683848.db2.gz	RMHZHKACKWDSFJ-MRXNPFEDSA-N	-2	3	339.759	3.657	50	0		EHAAHL
CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1	ZINC000007053735	564015362	/nfs/dbraw/zinc/01/53/62/564015362.db2.gz	GHEZAYNWZVGJCG-GFCCVEGCSA-N	-2	3	333.409	3.699	50	0		EHAAHL
CSc1ccc([C@H](NCc2ccc(C)cc2)P(=O)([O-])[O-])cc1	ZINC000012997516	564135838	/nfs/dbraw/zinc/13/58/38/564135838.db2.gz	GDOQVOLONZBMDA-MRXNPFEDSA-N	-2	3	337.381	3.683	50	0		EHAAHL
CC(=NNc1cccc(C(=O)[O-])c1)c1cc(Br)ccc1[O-]	ZINC000252474375	564118948	/nfs/dbraw/zinc/11/89/48/564118948.db2.gz	CCQYQQOUBIZBIP-UHFFFAOYSA-N	-2	3	349.184	3.689	50	0		EHAAHL
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1C	ZINC000003295748	210000996	/nfs/dbraw/zinc/00/09/96/210000996.db2.gz	GKEGGVAHMGAZEQ-UHFFFAOYSA-N	-2	3	347.436	3.728	50	0		EHAAHL
CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1	ZINC000007053736	564070830	/nfs/dbraw/zinc/07/08/30/564070830.db2.gz	GHEZAYNWZVGJCG-LBPRGKRZSA-N	-2	3	333.409	3.699	50	0		EHAAHL
O=c1[n-]n(C2CCCC2)c2c1[C@@H](c1ccc([O-])c(Cl)c1)CC(=O)N2	ZINC000071280682	564174883	/nfs/dbraw/zinc/17/48/83/564174883.db2.gz	VAMQTVZLLAHCCR-LLVKDONJSA-N	-2	3	347.802	3.774	50	0		EHAAHL
CCCc1cc(=O)[n-]c(C(=Cc2ccc(C(=O)[O-])c(F)c2)CC)n1	ZINC000656612950	975665810	/nfs/dbraw/zinc/66/58/10/975665810.db2.gz	CSPSNDLYIBUMKG-XYOKQWHBSA-N	-2	3	330.359	3.510	50	0		EHAAHL
C[C@@H](CN[C@H](c1cccc(Cl)c1)P(=O)([O-])[O-])c1ccccc1	ZINC000012997526	563683781	/nfs/dbraw/zinc/68/37/81/563683781.db2.gz	ASGIEMFZUXVBFN-LRDDRELGSA-N	-2	3	339.759	3.910	50	0		EHAAHL
CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@H](c2ccc(C(=O)[O-])cc2)S1	ZINC000071286116	215754169	/nfs/dbraw/zinc/75/41/69/215754169.db2.gz	DDWOQNJYOGHMSW-ZDUSSCGKSA-N	-2	3	331.397	3.754	50	0		EHAAHL
CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1	ZINC000003215151	563476777	/nfs/dbraw/zinc/47/67/77/563476777.db2.gz	OTSNMUDJXINAKM-UHFFFAOYSA-N	-2	3	347.436	3.837	50	0		EHAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1C(=O)[O-]	ZINC000013348857	564019682	/nfs/dbraw/zinc/01/96/82/564019682.db2.gz	MDZQQZDKLVKQCI-UHFFFAOYSA-N	-2	3	333.409	3.617	50	0		EHAAHL
O=C(Nc1ccc(Cl)cc1Cl)c1c([O-])[n-]c2ccccc2c1=O	ZINC000008994628	211030073	/nfs/dbraw/zinc/03/00/73/211030073.db2.gz	RVAWTAKMMXMGGU-UHFFFAOYSA-N	-2	3	349.173	3.793	50	0	biogenic,in-vitro	EHAAHL
O=c1[n-]c(-c2cc(Cl)ccc2[O-])nc2c1Cc1cc(F)ccc1O2	ZINC000006748541	564097055	/nfs/dbraw/zinc/09/70/55/564097055.db2.gz	PORHMBWJTNLKCD-UHFFFAOYSA-N	-2	3	344.729	3.632	50	0		EHAAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(/C=C/C(=O)[O-])c2)c(C)c1	ZINC000000046730	209389391	/nfs/dbraw/zinc/38/93/91/209389391.db2.gz	MKFZMVNUDTUTER-BQYQJAHWSA-N	-2	3	345.420	3.510	50	0		EHAAHL
O=C([O-])C[C@@H](/N=C/c1cc(Br)ccc1[O-])c1ccccc1	ZINC000034633923	564033126	/nfs/dbraw/zinc/03/31/26/564033126.db2.gz	CUSYDOOHCWEMBN-YFEUJDIGSA-N	-2	3	348.196	3.790	50	0		EHAAHL
O=C([O-])c1cc(-c2ccccc2[O-])nc2n[nH]c(-c3ccccc3)c21	ZINC000072332300	216156301	/nfs/dbraw/zinc/15/63/01/216156301.db2.gz	DJQVYQLBZMARFX-UHFFFAOYSA-N	-2	3	331.331	3.696	50	0		EHAAHL
C[C@H](CN[C@H](c1cccc(Cl)c1)P(=O)([O-])[O-])c1ccccc1	ZINC000012997528	563683762	/nfs/dbraw/zinc/68/37/62/563683762.db2.gz	ASGIEMFZUXVBFN-WBMJQRKESA-N	-2	3	339.759	3.910	50	0		EHAAHL
CC(=O)[N-]C([N-]c1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F	ZINC000003138053	563474351	/nfs/dbraw/zinc/47/43/51/563474351.db2.gz	WHDPXTILYIFUGO-UHFFFAOYSA-N	-2	3	334.647	3.709	50	0		EHAAHL
CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@@H](c2ccc(C(=O)[O-])cc2)S1	ZINC000071286118	564110943	/nfs/dbraw/zinc/11/09/43/564110943.db2.gz	DDWOQNJYOGHMSW-CYBMUJFWSA-N	-2	3	331.397	3.754	50	0		EHAAHL
CC(=O)[N-]C([N-]c1ccccc1Cl)(C(F)(F)F)C(F)(F)F	ZINC000003138657	563474259	/nfs/dbraw/zinc/47/42/59/563474259.db2.gz	KHPDMVULMPTXOG-UHFFFAOYSA-N	-2	3	334.647	3.709	50	0		EHAAHL
Cc1ccc([O-])c(C(=O)C=C([O-])c2cccc(Br)c2)c1	ZINC000101097829	563919498	/nfs/dbraw/zinc/91/94/98/563919498.db2.gz	XWTSVSJHFPTFRY-UHFFFAOYSA-N	-2	3	333.181	3.919	50	0		EHAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1C(=O)[O-]	ZINC000013348935	564019675	/nfs/dbraw/zinc/01/96/75/564019675.db2.gz	ZCJHJFOJKSOOIN-UHFFFAOYSA-N	-2	3	333.409	3.617	50	0		EHAAHL
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1	ZINC000006328206	564085054	/nfs/dbraw/zinc/08/50/54/564085054.db2.gz	RLAOPUXVZNTFRU-UHFFFAOYSA-N	-2	3	333.409	3.617	50	0		EHAAHL
O=P([O-])([O-])[C@H](NC[C@@H]1CCCc2ccccc21)c1ccc(F)cc1	ZINC000012949501	564079791	/nfs/dbraw/zinc/07/97/91/564079791.db2.gz	IZVZWRXPGQHJMQ-YJBOKZPZSA-N	-2	3	349.342	3.712	50	0		EHAAHL
O=C([O-])CC1(CC(=O)Nc2cc(Cl)ccc2[O-])CCCCC1	ZINC000029011462	563904884	/nfs/dbraw/zinc/90/48/84/563904884.db2.gz	CHJVVZDYCFNXEE-UHFFFAOYSA-N	-2	3	325.792	3.799	50	0		EHAAHL
C[C@@H](CN[C@@H](c1ccc(F)c(F)c1)P(=O)([O-])[O-])c1ccccc1	ZINC000012997530	564135858	/nfs/dbraw/zinc/13/58/58/564135858.db2.gz	VOOWOTDGINXRPG-MEDUHNTESA-N	-2	3	341.294	3.534	50	0		EHAAHL
CSc1ccc([C@@H](NCc2ccc(C)cc2)P(=O)([O-])[O-])cc1	ZINC000012997514	564135850	/nfs/dbraw/zinc/13/58/50/564135850.db2.gz	GDOQVOLONZBMDA-INIZCTEOSA-N	-2	3	337.381	3.683	50	0		EHAAHL
C[C@H](CN[C@H](c1ccc(F)c(F)c1)P(=O)([O-])[O-])c1ccccc1	ZINC000012997536	564135835	/nfs/dbraw/zinc/13/58/35/564135835.db2.gz	VOOWOTDGINXRPG-BZNIZROVSA-N	-2	3	341.294	3.534	50	0		EHAAHL
Cc1cc(Cl)cc2c(=O)c([O-])c(-c3ccc(C(=O)[O-])cc3)oc12	ZINC000041195142	564173612	/nfs/dbraw/zinc/17/36/12/564173612.db2.gz	BULOWNATJNWYDA-UHFFFAOYSA-N	-2	3	330.723	3.826	50	0		EHAAHL
Cc1ccc(/C=C\S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])cc1	ZINC000098059463	219075900	/nfs/dbraw/zinc/07/59/00/219075900.db2.gz	ORZOIJDTTYKHTE-KTKRTIGZSA-N	-2	3	349.383	3.553	50	0		EHAAHL
C[C@H](CN[C@@H](c1cccc(Cl)c1)P(=O)([O-])[O-])c1ccccc1	ZINC000012997524	563683813	/nfs/dbraw/zinc/68/38/13/563683813.db2.gz	ASGIEMFZUXVBFN-MLGOLLRUSA-N	-2	3	339.759	3.910	50	0		EHAAHL
Cc1ccccc1CN[C@@H](c1cccc(Cl)c1)P(=O)([O-])[O-]	ZINC000012997490	563683866	/nfs/dbraw/zinc/68/38/66/563683866.db2.gz	DJEFIEQGZSTSAG-OAHLLOKOSA-N	-2	3	325.732	3.615	50	0		EHAAHL
C[C@@H](CN[C@H](c1ccc(F)c(F)c1)P(=O)([O-])[O-])c1ccccc1	ZINC000012997533	564135854	/nfs/dbraw/zinc/13/58/54/564135854.db2.gz	VOOWOTDGINXRPG-ZBEGNZNMSA-N	-2	3	341.294	3.534	50	0		EHAAHL
Cc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1	ZINC000057115409	564153252	/nfs/dbraw/zinc/15/32/52/564153252.db2.gz	VGRDEZMBQXDVPF-UHFFFAOYSA-N	-2	3	345.392	3.816	50	0		EHAAHL
O=C([O-])C[C@@H](/N=C\c1cc(Br)ccc1[O-])c1ccccc1	ZINC000230138597	563983218	/nfs/dbraw/zinc/98/32/18/563983218.db2.gz	CUSYDOOHCWEMBN-FNHQQPGVSA-N	-2	3	348.196	3.790	50	0		EHAAHL
O=c1c(Oc2ccc(Br)cc2)coc2cc([O-])cc([O-])c12	ZINC000006557400	564092029	/nfs/dbraw/zinc/09/20/29/564092029.db2.gz	SDIKDVUXKIIIOD-UHFFFAOYSA-N	-2	3	349.136	3.759	50	0	biogenic	EHAAHL
Cc1ccc([O-])c(C(=O)C=C([O-])c2ccc(Br)cc2)c1	ZINC000101064661	1019551564	/nfs/dbraw/zinc/55/15/64/1019551564.db2.gz	FAPPXMYLPGYRAB-UHFFFAOYSA-N	-2	3	333.181	3.919	50	0		EHAAHL
CCc1ccc([C@H](NCCc2ccccc2C)P(=O)([O-])[O-])cc1	ZINC000012949474	564079784	/nfs/dbraw/zinc/07/97/84/564079784.db2.gz	ARCMVNIYOPROKV-GOSISDBHSA-N	-2	3	333.368	3.566	50	0		EHAAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1C(=O)[O-]	ZINC000045946644	564028955	/nfs/dbraw/zinc/02/89/55/564028955.db2.gz	MZQMGRHMOZMAAR-UHFFFAOYSA-N	-2	3	347.436	3.926	50	0		EHAAHL
Cc1ccccc1CCN[C@H](c1ccccc1Cl)P(=O)([O-])[O-]	ZINC000012997442	563683804	/nfs/dbraw/zinc/68/38/04/563683804.db2.gz	RMHZHKACKWDSFJ-INIZCTEOSA-N	-2	3	339.759	3.657	50	0		EHAAHL
O=C([O-])C[C@H](/N=C/c1cc(Br)ccc1[O-])c1ccccc1	ZINC000075249459	564121272	/nfs/dbraw/zinc/12/12/72/564121272.db2.gz	CUSYDOOHCWEMBN-XKYMITNMSA-N	-2	3	348.196	3.790	50	0		EHAAHL
CC(C)c1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1	ZINC000013345655	601317666	/nfs/dbraw/zinc/31/76/66/601317666.db2.gz	FJQOJYSQWHCAKT-LFYBBSHMSA-N	-2	3	345.420	3.709	50	0		EHAAHL
O=C([N-]C(=O)c1ccccc1[O-])c1sc2ccccc2c1Cl	ZINC000000157013	563248190	/nfs/dbraw/zinc/24/81/90/563248190.db2.gz	PMEDFKUWHPTEAE-UHFFFAOYSA-N	-2	3	331.780	3.831	50	0		EHAAHL
Cc1cc(Cl)ccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1	ZINC000342255568	1028516112	/nfs/dbraw/zinc/51/61/12/1028516112.db2.gz	BFNMSGJEQISPLG-DAXSKMNVSA-N	-2	3	332.787	3.640	50	0		EHAAHL
CCc1ccc([C@@H](NCCc2ccccc2C)P(=O)([O-])[O-])cc1	ZINC000012949471	564079822	/nfs/dbraw/zinc/07/98/22/564079822.db2.gz	ARCMVNIYOPROKV-SFHVURJKSA-N	-2	3	333.368	3.566	50	0		EHAAHL
CCCc1cc(=O)[n-]c(C(=Cc2ccc(C(=O)[O-])c(F)c2)CC)n1	ZINC000656612938	975665695	/nfs/dbraw/zinc/66/56/95/975665695.db2.gz	CSPSNDLYIBUMKG-WQLSENKSSA-N	-2	3	330.359	3.510	50	0		EHAAHL
O=C([O-])c1cc(Cl)c(Cl)cc1C(=O)Nc1ccccc1[O-]	ZINC000000332920	209538810	/nfs/dbraw/zinc/53/88/10/209538810.db2.gz	WFQXGYFLTOVFCA-UHFFFAOYSA-N	-2	3	326.135	3.650	50	0		EHAAHL