smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[S-]c1ccccc1/N=C/c1cccs1	ZINC000001560937	188273838	/nfs/dbraw/zinc/27/38/38/188273838.db2.gz	JPQPPZDBOLIINU-XYOKQWHBSA-N	-1	0	219.334	3.787	40	30		BHEBRM
CCCCCCC(=O)/C=C/c1ccccc1O	ZINC000001563376	383905510	/nfs/dbraw/zinc/90/55/10/383905510.db2.gz	RFGHUKFHHNQEIC-VAWYXSNFSA-N	-1	0	232.323	3.945	40	30		BHEBRM
CCCCCCCCCCCOCC(=O)[O-]	ZINC000001566430	168650627	/nfs/dbraw/zinc/65/06/27/168650627.db2.gz	OEAOQOBPVRGATN-UHFFFAOYSA-N	-1	0	230.348	3.618	40	30		BHEBRM
CCCCCCCCCSCCC(=O)[O-]	ZINC000001586799	346451003	/nfs/dbraw/zinc/45/10/03/346451003.db2.gz	KVZNKFXIXVQOED-UHFFFAOYSA-N	-1	0	232.389	3.945	40	30		BHEBRM
CCCCCCCCCCSCC(=O)[O-]	ZINC000001600674	342705298	/nfs/dbraw/zinc/70/52/98/342705298.db2.gz	XFSOHZKOJGKIDZ-UHFFFAOYSA-N	-1	0	232.389	3.945	40	30		BHEBRM
CCCCCCCCSCCCC(=O)[O-]	ZINC000001600675	346458741	/nfs/dbraw/zinc/45/87/41/346458741.db2.gz	GUDSRDGLYIGGNX-UHFFFAOYSA-N	-1	0	232.389	3.945	40	30		BHEBRM
C=C1CC/C=C(/C(=O)[O-])CC[C@H]2[C@@H]1CC2(C)C	ZINC000001651675	187299208	/nfs/dbraw/zinc/29/92/08/187299208.db2.gz	NXPSZVSYBXSYPZ-YCBFNFSOSA-N	-1	0	234.339	3.790	40	30	biogenic,in-vitro	BHEBRM
CCCCCCCNc1ccc(C(=O)[O-])cc1	ZINC000001723527	342711030	/nfs/dbraw/zinc/71/10/30/342711030.db2.gz	GJJAFTIJCDERTI-UHFFFAOYSA-N	-1	0	235.327	3.767	40	30		BHEBRM
CCCCCCC[C@@H](CCC)C(=O)[O-]	ZINC000002509963	342721687	/nfs/dbraw/zinc/72/16/87/342721687.db2.gz	APKRDOMMNFBDSG-LLVKDONJSA-N	-1	0	200.322	3.848	40	30		BHEBRM
CCCCCCCCCCC#CC#CC(=O)[O-]	ZINC000002528027	342722644	/nfs/dbraw/zinc/72/26/44/342722644.db2.gz	XRCJABKXJJKZPH-UHFFFAOYSA-N	-1	0	234.339	3.609	40	30		BHEBRM
CCCCCCCc1ccc(CC(=O)[O-])cc1	ZINC000003205137	398275015	/nfs/dbraw/zinc/27/50/15/398275015.db2.gz	IAKAZOZSRJNBFF-UHFFFAOYSA-N	-1	0	234.339	3.827	40	30		BHEBRM
CC(C)SC(=S)[N-]c1ccc(F)cc1	ZINC000005732982	167320899	/nfs/dbraw/zinc/32/08/99/167320899.db2.gz	LDVIXPCTMASCDT-UHFFFAOYSA-N	-1	0	229.345	3.885	40	30		BHEBRM
CC(C)SC(=S)[N-]c1cccc(F)c1	ZINC000005732984	167320490	/nfs/dbraw/zinc/32/04/90/167320490.db2.gz	MQVLHKAWUXNJQD-UHFFFAOYSA-N	-1	0	229.345	3.885	40	30		BHEBRM
C[C@@H](CCNC(=S)[S-])CC(C)(C)C	ZINC000006487149	342778550	/nfs/dbraw/zinc/77/85/50/342778550.db2.gz	LHPJPLJQQAUHLL-QMMMGPOBSA-N	-1	0	219.419	3.664	40	30		BHEBRM
C[C@H](CCNC(=S)[S-])CC(C)(C)C	ZINC000006491717	342778629	/nfs/dbraw/zinc/77/86/29/342778629.db2.gz	LHPJPLJQQAUHLL-MRVPVSSYSA-N	-1	0	219.419	3.664	40	30		BHEBRM
C=C(C(=O)[O-])[C@@H]1CC[C@H](C)[C@H]2CCC(C)=C[C@H]12	ZINC000013381259	589118355	/nfs/dbraw/zinc/11/83/55/589118355.db2.gz	PLQMEXSCSAIXGB-GHYVTOPFSA-N	-1	0	234.339	3.646	40	30		BHEBRM
C=C1CC/C=C(/C(=O)[O-])CC[C@H]2[C@H]1CC2(C)C	ZINC000013383764	188165440	/nfs/dbraw/zinc/16/54/40/188165440.db2.gz	NXPSZVSYBXSYPZ-NHFJXKHHSA-N	-1	0	234.339	3.790	40	30	biogenic,in-vitro	BHEBRM
C=C1CC/C=C(/C(=O)[O-])CC[C@@H]2[C@H]1CC2(C)C	ZINC000013383765	188165438	/nfs/dbraw/zinc/16/54/38/188165438.db2.gz	NXPSZVSYBXSYPZ-OAIDTJHVSA-N	-1	0	234.339	3.790	40	30	biogenic,in-vitro	BHEBRM
C=C1CC/C=C(/C(=O)[O-])CC[C@@H]2[C@@H]1CC2(C)C	ZINC000013383766	388731627	/nfs/dbraw/zinc/73/16/27/388731627.db2.gz	NXPSZVSYBXSYPZ-WXYBXBMJSA-N	-1	0	234.339	3.790	40	30	biogenic,in-vitro	BHEBRM
C#CCCCCCCCCCCCC(=O)[O-]	ZINC000014722601	188584666	/nfs/dbraw/zinc/58/46/66/188584666.db2.gz	JNXXRQLAAJXERE-UHFFFAOYSA-N	-1	0	224.344	3.995	40	30	in-vitro	BHEBRM
C=C(C(=O)[O-])[C@@H]1CC[C@H](C)[C@@H]2CCC(C)=C[C@@H]12	ZINC000014918132	589333105	/nfs/dbraw/zinc/33/31/05/589333105.db2.gz	PLQMEXSCSAIXGB-DOERSZECSA-N	-1	0	234.339	3.646	40	30		BHEBRM
CCCCCCCOc1cccc(C(=O)[O-])c1	ZINC000014980578	342889900	/nfs/dbraw/zinc/88/99/00/342889900.db2.gz	FOFZVIUYGPBWLV-UHFFFAOYSA-N	-1	0	236.311	3.734	40	30	in-vivo	BHEBRM
Cc1ccc(O)c(C(=O)/C=C\c2ccccc2)c1	ZINC000016924767	342917289	/nfs/dbraw/zinc/91/72/89/342917289.db2.gz	BPAVQKLQOSHOPN-NTMALXAHSA-N	-1	0	238.286	3.597	40	30		BHEBRM
Cc1ccc(S/N=C\c2ccccc2O)cc1	ZINC000017021628	187252106	/nfs/dbraw/zinc/25/21/06/187252106.db2.gz	KBLQWCDXMGHPQM-GDNBJRDFSA-N	-1	0	243.331	3.827	40	30		BHEBRM
[S-]c1ccccc1/N=C\c1cccs1	ZINC000017063304	188107107	/nfs/dbraw/zinc/10/71/07/188107107.db2.gz	JPQPPZDBOLIINU-WQLSENKSSA-N	-1	0	219.334	3.787	40	30		BHEBRM
O=C(/C=C\c1ccco1)c1cc(Cl)ccc1[O-]	ZINC000017327674	384487169	/nfs/dbraw/zinc/48/71/69/384487169.db2.gz	WUUQATKGYNLGLM-XQRVVYSFSA-N	-1	0	248.665	3.535	40	30		BHEBRM
CCCCCCCCC#CCCCC(=O)[O-]	ZINC000028539337	371612478	/nfs/dbraw/zinc/61/24/78/371612478.db2.gz	RHOQRBVFJSAQTR-UHFFFAOYSA-N	-1	0	224.344	3.995	40	30	biogenic,in-vitro	BHEBRM
N#Cc1cc(Cc2ccccc2)cc(Cl)c1[O-]	ZINC000030714711	181086115	/nfs/dbraw/zinc/08/61/15/181086115.db2.gz	QLJYLRZKVPLTMX-UHFFFAOYSA-N	-1	0	243.693	3.508	40	30		BHEBRM
C=C(C(=O)[O-])[C@@H]1CC=C2CCC[C@H](C)[C@@]2(C)C1	ZINC000031165788	387144920	/nfs/dbraw/zinc/14/49/20/387144920.db2.gz	FMWJHXDPCQWVEJ-JVLSTEMRSA-N	-1	0	234.339	3.790	40	30	biogenic,in-vitro	BHEBRM
CCCCCCCSc1n[n-]c(=S)s1	ZINC000059608275	520066199	/nfs/dbraw/zinc/06/61/99/520066199.db2.gz	ZCUJLYRLTUNSAU-UHFFFAOYSA-N	-1	0	248.442	3.889	40	30		BHEBRM
CCCCCCCCCCO[P@@H](=O)[O-]	ZINC000060139895	539014492	/nfs/dbraw/zinc/01/44/92/539014492.db2.gz	ZBEKPPVMYNVMQO-UHFFFAOYSA-N	-1	0	222.265	3.526	40	30		BHEBRM
O=C(Nc1ccccc1[S-])c1ccccc1	ZINC000071613993	384174143	/nfs/dbraw/zinc/17/41/43/384174143.db2.gz	YGJHOWOEBFBOSF-UHFFFAOYSA-N	-1	0	229.304	3.612	40	30		BHEBRM
C=C(C)COc1cc(C(=O)[O-])cc2sccc21	ZINC000072228331	259322577	/nfs/dbraw/zinc/32/25/77/259322577.db2.gz	YZAVSWXZWLUIHO-UHFFFAOYSA-N	-1	0	248.303	3.554	40	30		BHEBRM
CCCCCCCCCCC[P@@](=O)([O-])O	ZINC000097976221	384583855	/nfs/dbraw/zinc/58/38/55/384583855.db2.gz	GKIQHTGBORJXKZ-UHFFFAOYSA-N	-1	0	236.292	3.695	40	30		BHEBRM
[O-]/N=C/c1ccccc1Oc1ccc(F)c(F)c1	ZINC000100298760	384630601	/nfs/dbraw/zinc/63/06/01/384630601.db2.gz	JGLVDIVHVFZUDA-LZYBPNLTSA-N	-1	0	249.216	3.565	40	30		BHEBRM
CCCCCCC[C@H](CCC)C(=O)[O-]	ZINC000103605376	384778685	/nfs/dbraw/zinc/77/86/85/384778685.db2.gz	APKRDOMMNFBDSG-NSHDSACASA-N	-1	0	200.322	3.848	40	30		BHEBRM
O=C(C=C([O-])c1cccs1)c1ccccc1	ZINC000103713055	387459085	/nfs/dbraw/zinc/45/90/85/387459085.db2.gz	LIPCTRODHQYJNI-XFXZXTDPSA-N	-1	0	230.288	3.530	40	30		BHEBRM
[O-]/N=C\c1ccc(-c2ccc(F)c(Cl)c2)o1	ZINC000138723661	368412947	/nfs/dbraw/zinc/41/29/47/368412947.db2.gz	JDGKUMRUJZRBBG-NSIKDUERSA-N	-1	0	239.633	3.547	40	30		BHEBRM
[O-]/N=C(\Cl)c1cccc(Oc2ccccc2)c1	ZINC000206731151	385665785	/nfs/dbraw/zinc/66/57/85/385665785.db2.gz	PXFHHUXQZMZHMX-SQFISAMPSA-N	-1	0	247.681	3.854	40	30		BHEBRM
C=C1CCC=C(C(=O)[O-])CC[C@H]2[C@@H]1CC2(C)C	ZINC000254077847	636035727	/nfs/dbraw/zinc/03/57/27/636035727.db2.gz	NXPSZVSYBXSYPZ-OLZOCXBDSA-N	-1	0	234.339	3.790	40	30	biogenic,in-vitro	BHEBRM
C=C(C(=O)[O-])[C@@H]1CC[C@H](C)[C@H]2CCC(C)=C[C@@H]12	ZINC000257513338	634435984	/nfs/dbraw/zinc/43/59/84/634435984.db2.gz	PLQMEXSCSAIXGB-AHLTXXRQSA-N	-1	0	234.339	3.646	40	30		BHEBRM
C=C(C(=O)[O-])[C@@H]1CC[C@H](C)[C@@H]2CCC(C)=C[C@H]12	ZINC000257513339	634435317	/nfs/dbraw/zinc/43/53/17/634435317.db2.gz	PLQMEXSCSAIXGB-PYJNHQTQSA-N	-1	0	234.339	3.646	40	30		BHEBRM
Cc1cc(/C=N/c2ccccc2[S-])c(C)n1C	ZINC000408781221	385297418	/nfs/dbraw/zinc/29/74/18/385297418.db2.gz	BDOBKPDYLFJNCH-OQLLNIDSSA-N	-1	0	244.363	3.681	40	30		BHEBRM
[O-]c1ccc(/C=N/c2ccccc2)cc1Cl	ZINC000409217409	385511976	/nfs/dbraw/zinc/51/19/76/385511976.db2.gz	UIYCYGDUDUTBRM-OQLLNIDSSA-N	-1	0	231.682	3.796	40	30		BHEBRM