smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1[O-]	ZINC000040763231	183130758	/nfs/dbraw/zinc/13/07/58/183130758.db2.gz	NSUQURXAEBDWOZ-UHFFFAOYSA-N	-1	3	312.196	4.553	1	0		DJAFHM
[O-]c1cc2nc(-c3ccc(O)cc3)oc2c(-c2cccs2)c1	ZINC000013583730	581101443	/nfs/dbraw/zinc/10/14/43/581101443.db2.gz	NWLIKAKSXLGUIS-UHFFFAOYSA-N	-1	3	309.346	4.635	1	0		DJAFHM
[O-]c1cc(F)cc(-c2ccc(-c3cc(O)cc(F)c3)s2)c1	ZINC000095589068	185382236	/nfs/dbraw/zinc/38/22/36/185382236.db2.gz	DWUVEFCGVLKESS-UHFFFAOYSA-N	-1	3	304.317	4.772	1	0		DJAFHM
COc1cc(/C=C\c2cc3sccc3c([O-])c2)cc(OC)c1	ZINC000040379128	183058084	/nfs/dbraw/zinc/05/80/84/183058084.db2.gz	KAXDUHWEDZVLIH-ARJAWSKDSA-N	-1	3	312.390	4.795	1	0		DJAFHM
CC(C)=CCc1c2oc3c(c2ccc1[O-])COc1cc(O)ccc1-3	ZINC000015115237	560228522	/nfs/dbraw/zinc/22/85/22/560228522.db2.gz	JIYPLIGVCANHTO-UHFFFAOYSA-N	-1	3	322.360	4.912	1	0	biogenic,in-vitro	DJAFHM
CC[C@]12CC[C@@H]3c4cc(Cl)c([O-])cc4CC[C@H]3[C@@H]1CCC2=O	ZINC000035839279	182789337	/nfs/dbraw/zinc/78/93/37/182789337.db2.gz	QMLGODKJXNTJIN-QPWUGHHJSA-N	-1	3	318.844	4.861	1	0		DJAFHM
[O-]c1ccc(-c2nc3ccccc3nc2Cl)c2ccccc12	ZINC000073197414	191291614	/nfs/dbraw/zinc/29/16/14/191291614.db2.gz	TXUZBIPDNZDZEN-UHFFFAOYSA-N	-1	3	306.752	4.809	1	0		DJAFHM
[O-]c1nc(Nc2ccccc2)sc1C=C1C=Nc2ccccc21	ZINC000005927481	181297024	/nfs/dbraw/zinc/29/70/24/181297024.db2.gz	XAKFGUJDOOSGLA-ZRDIBKRKSA-N	-1	3	319.389	4.849	1	0		DJAFHM
CC1(C)OCC(=S)[N-]c2ccc(-c3cc(F)cc(F)c3)cc21	ZINC000040380426	183058560	/nfs/dbraw/zinc/05/85/60/183058560.db2.gz	WBQIRTDPYKHPNA-UHFFFAOYSA-N	-1	3	319.376	4.636	1	0		DJAFHM
CCCCC[C@H](C)NCc1coc(-c2cc(Cl)ccc2[O-])n1	ZINC000072184305	191071751	/nfs/dbraw/zinc/07/17/51/191071751.db2.gz	UKFMGRFTWZBADH-LBPRGKRZSA-N	-1	3	322.836	4.759	1	0		DJAFHM
CC(=O)CC[C@H]1[C@@H](C[C@@H](C)C(=O)c2ccc([O-])c(C)c2)C1(C)C	ZINC000095099205	290936022	/nfs/dbraw/zinc/93/60/22/290936022.db2.gz	XBFZOHMYMWZROB-XOKHGSTOSA-N	-1	3	316.441	4.551	1	0	biogenic,in-vitro	DJAFHM
CC1=N[C@H](C)Cc2c(-c3cccc4ccccc43)ccc([O-])c21	ZINC000064454417	184297374	/nfs/dbraw/zinc/29/73/74/184297374.db2.gz	OMIXRGPRFMDONE-CYBMUJFWSA-N	-1	3	301.389	4.966	1	0		DJAFHM
[O-]c1ccc(-c2cscc2-c2ccc(O)cc2F)c(F)c1	ZINC000095587219	185381507	/nfs/dbraw/zinc/38/15/07/185381507.db2.gz	APIVWORSVXKTBM-UHFFFAOYSA-N	-1	3	304.317	4.772	1	0		DJAFHM
[O-]c1ccc(-c2sccc2-c2ccc(O)cc2F)c(F)c1	ZINC000095587727	185381536	/nfs/dbraw/zinc/38/15/36/185381536.db2.gz	KKTKAMKVBQSPOV-UHFFFAOYSA-N	-1	3	304.317	4.772	1	0	in-vitro	DJAFHM
[O-]c1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1F	ZINC000040972444	183153747	/nfs/dbraw/zinc/15/37/47/183153747.db2.gz	DZEUSCNAQKYWAB-UHFFFAOYSA-N	-1	3	317.363	4.971	1	0		DJAFHM
CC1=N[C@H](C)Cc2c(-c3ccc(C(F)(F)F)cc3)ccc([O-])c21	ZINC000064454454	184297665	/nfs/dbraw/zinc/29/76/65/184297665.db2.gz	ALHOBEXVYHMRCJ-SNVBAGLBSA-N	-1	3	319.326	4.832	1	0		DJAFHM
C[C@]12CC[C@@H]3c4cc(Cl)c([O-])cc4CC[C@H]3[C@@H]1CCCC2=O	ZINC000035875795	581092622	/nfs/dbraw/zinc/09/26/22/581092622.db2.gz	JPMPZOSFYWJSOX-QPWUGHHJSA-N	-1	3	318.844	4.861	1	0		DJAFHM
O=C(c1ccc(-c2ccc([O-])cc2Cl)cc1)c1cccc(O)c1	ZINC000073198998	191291031	/nfs/dbraw/zinc/29/10/31/191291031.db2.gz	WOSDRBVPQTZWNZ-UHFFFAOYSA-N	-1	3	324.763	4.649	1	0		DJAFHM
O=c1cc(-c2ccc(-c3ccccc3)cc2)oc2cccc([O-])c12	ZINC000096922783	185391801	/nfs/dbraw/zinc/39/18/01/185391801.db2.gz	BBQATSUGRGRBBM-UHFFFAOYSA-N	-1	3	314.340	4.833	1	0		DJAFHM
O=c1cccc2oc(-c3ccc(-c4ccccc4)cc3)cc([O-])c1-2	ZINC000096922783	185391802	/nfs/dbraw/zinc/39/18/02/185391802.db2.gz	BBQATSUGRGRBBM-UHFFFAOYSA-N	-1	3	314.340	4.833	1	0		DJAFHM
CCCCC[C@@H](C)NCc1coc(-c2cc(Cl)ccc2[O-])n1	ZINC000072184304	191072605	/nfs/dbraw/zinc/07/26/05/191072605.db2.gz	UKFMGRFTWZBADH-GFCCVEGCSA-N	-1	3	322.836	4.759	1	0		DJAFHM
Clc1ccc([N-]c2nnc(-c3ccc(Cl)cc3)o2)cc1	ZINC000066259830	184399302	/nfs/dbraw/zinc/39/93/02/184399302.db2.gz	BTMJQBGORCGANK-UHFFFAOYSA-N	-1	3	306.152	4.787	1	0		DJAFHM
C/C=C/CCCCc1c(O)cc(CC=C(C)C)c([O-])c1C=O	ZINC000013374439	560215532	/nfs/dbraw/zinc/21/55/32/560215532.db2.gz	HBLOFOWPCVDNCG-SNAWJCMRSA-N	-1	3	302.414	4.708	1	0	in-vitro	DJAFHM
CC(C)=CCc1c([O-])ccc2c1OCc1c3ccc(O)cc3oc1-2	ZINC000015115235	560228501	/nfs/dbraw/zinc/22/85/01/560228501.db2.gz	VREXGHBHPUSDKC-UHFFFAOYSA-N	-1	3	322.360	4.912	1	0	biogenic,in-vitro	DJAFHM
[O-]c1cc(-c2ccc(-c3ccc(F)c(O)c3)s2)ccc1F	ZINC000095587049	185381430	/nfs/dbraw/zinc/38/14/30/185381430.db2.gz	GLZZWWFVILISTI-UHFFFAOYSA-N	-1	3	304.317	4.772	1	0		DJAFHM
CC(C)=CCc1c2oc(-c3cc(O)cc(O)c3)cc2ccc1[O-]	ZINC000040867124	183144598	/nfs/dbraw/zinc/14/45/98/183144598.db2.gz	PMSZSXKBGUQXFG-UHFFFAOYSA-N	-1	3	310.349	4.725	1	0		DJAFHM
CC1=N[C@H](C)Cc2c(-c3ccc4ccccc4c3)ccc([O-])c21	ZINC000064454460	184297634	/nfs/dbraw/zinc/29/76/34/184297634.db2.gz	GVLGNVUQNHMAGA-CYBMUJFWSA-N	-1	3	301.389	4.966	1	0		DJAFHM
CSc1ccc(-c2nnc([N-]c3ccc(Cl)cc3)o2)cc1	ZINC000066260052	184399275	/nfs/dbraw/zinc/39/92/75/184399275.db2.gz	PUKKVPIASROPEL-UHFFFAOYSA-N	-1	3	317.801	4.856	1	0		DJAFHM
CC(C)=CCc1cc2cc(-c3cc(O)cc(O)c3)oc2cc1[O-]	ZINC000014610071	560101618	/nfs/dbraw/zinc/10/16/18/560101618.db2.gz	WBSCSIABHGPAMC-UHFFFAOYSA-N	-1	3	310.349	4.725	1	0	endogenous,in-man	DJAFHM