smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2[C@@H](O)[C@H]2CCCC[N@@H+]2C1	ZINC000073296799	222269646	/nfs/dbraw/zinc/26/96/46/222269646.db2.gz	CMONGIHNDXAKGU-YKSBVNFPSA-N	1	1	393.483	4.420	1	5		GIBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2[C@@H](O)[C@H]2CCCC[N@H+]2C1	ZINC000073296799	222269650	/nfs/dbraw/zinc/26/96/50/222269650.db2.gz	CMONGIHNDXAKGU-YKSBVNFPSA-N	1	1	393.483	4.420	1	5		GIBFMO
COc1cc2c3cc4c(cc3c3c(c2cc1OC)C[C@H]1CCC[N@@H+]1C3)OCCO4	ZINC000073295264	222270003	/nfs/dbraw/zinc/27/00/03/222270003.db2.gz	KZXPFZPLKGIQOD-CQSZACIVSA-N	1	1	391.467	4.302	1	5		GIBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2[C@H](O)[C@H]2CCC[N@H+]2C1	ZINC000032275474	291138638	/nfs/dbraw/zinc/13/86/38/291138638.db2.gz	LAWAARLALKUFQQ-AUSIDOKSSA-N	1	1	379.456	4.030	1	5	biogenic,in-vitro	GIBFMO
CC[NH+](CC)CCNc1c2[n-]c3c(cc(F)cc3F)c2[n+](C)c2ccccc21	ZINC000055734801	205150491	/nfs/dbraw/zinc/15/04/91/205150491.db2.gz	RNZRDQFDLYXXCX-UHFFFAOYSA-O	1	1	383.466	4.331	1	5		GIBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[N@@H+]2CCC[C@@H]2[C@@H]1O	ZINC000013370335	206261615	/nfs/dbraw/zinc/26/16/15/206261615.db2.gz	VEPWWLXWVFFRLY-XXBNENTESA-N	1	1	379.456	4.030	1	5		GIBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2[C@H](O)[C@@H]2CCC[N@H+]2C1	ZINC000013513646	206262515	/nfs/dbraw/zinc/26/25/15/206262515.db2.gz	LAWAARLALKUFQQ-WMZHIEFXSA-N	1	1	379.456	4.030	1	5		GIBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[N@@H+]2CCCC[C@@H]2[C@@H]1O	ZINC000013411460	206261521	/nfs/dbraw/zinc/26/15/21/206261521.db2.gz	KKXLHPYVIGADHN-YKSBVNFPSA-N	1	1	393.483	4.420	1	5		GIBFMO
COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(-c3ccccc3[N+](=O)[O-])cc1)[N@H+]2C	ZINC000029477609	207362353	/nfs/dbraw/zinc/36/23/53/207362353.db2.gz	VAOSRYXOQDMAAS-RCVZYCBYSA-N	1	1	380.444	4.001	1	5		GIBFMO
CC[NH+](CC)CCNc1ccc(CN(C)C)c2sc3ccccc3c(=O)c12	ZINC000100953450	208385660	/nfs/dbraw/zinc/38/56/60/208385660.db2.gz	XRCMQPCSWAVMEH-UHFFFAOYSA-N	1	1	383.561	4.230	1	5		GIBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2[C@@H](O)[C@H]2CCC[N@H+]2C1	ZINC000013513649	206262875	/nfs/dbraw/zinc/26/28/75/206262875.db2.gz	LAWAARLALKUFQQ-XXBNENTESA-N	1	1	379.456	4.030	1	5		GIBFMO
O=c1oc2c3ccc4ccccc4c3n(CC[NH+]3CCOCC3)c2c2ccccc21	ZINC000031830110	207387139	/nfs/dbraw/zinc/38/71/39/207387139.db2.gz	OSSRUGWUZPBCIW-UHFFFAOYSA-N	1	1	398.462	4.386	1	5		GIBFMO
CCC[N@H+]1Cc2c3cc(OC)c(OC)cc3c3cc(OC)ccc3c2[C@H](O)C1	ZINC000095572237	211279350	/nfs/dbraw/zinc/27/93/50/211279350.db2.gz	CJOHEOFVUALWSY-HXUWFJFHSA-N	1	1	381.472	4.278	1	5		GIBFMO
CCC[N@@H+]1Cc2c3cc(OC)c(OC)cc3c3cc(OC)ccc3c2[C@H](O)C1	ZINC000095572237	211279354	/nfs/dbraw/zinc/27/93/54/211279354.db2.gz	CJOHEOFVUALWSY-HXUWFJFHSA-N	1	1	381.472	4.278	1	5		GIBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2[C@H](O)[C@@H]2CCCC[N@@H+]2C1	ZINC000073295198	222270016	/nfs/dbraw/zinc/27/00/16/222270016.db2.gz	CMONGIHNDXAKGU-GBXCKJPGSA-N	1	1	393.483	4.420	1	5		GIBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2[C@H](O)[C@@H]2CCCC[N@H+]2C1	ZINC000073295198	222270018	/nfs/dbraw/zinc/27/00/18/222270018.db2.gz	CMONGIHNDXAKGU-GBXCKJPGSA-N	1	1	393.483	4.420	1	5		GIBFMO
COc1cc2c3cc4c(cc3c3c(c2cc1OC)C[C@@H]1CCC[N@@H+]1C3)OCCO4	ZINC000073295262	222269846	/nfs/dbraw/zinc/26/98/46/222269846.db2.gz	KZXPFZPLKGIQOD-AWEZNQCLSA-N	1	1	391.467	4.302	1	5		GIBFMO
CCC[N@H+]1Cc2c3cc(OC)c(OC)cc3c3cc(OC)ccc3c2[C@@H](O)C1	ZINC000095572238	211278782	/nfs/dbraw/zinc/27/87/82/211278782.db2.gz	CJOHEOFVUALWSY-FQEVSTJZSA-N	1	1	381.472	4.278	1	5		GIBFMO
CCC[N@@H+]1Cc2c3cc(OC)c(OC)cc3c3cc(OC)ccc3c2[C@@H](O)C1	ZINC000095572238	211278783	/nfs/dbraw/zinc/27/87/83/211278783.db2.gz	CJOHEOFVUALWSY-FQEVSTJZSA-N	1	1	381.472	4.278	1	5		GIBFMO
CC[N@@H+]1CCc2c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc3c2C1	ZINC000095579889	211278848	/nfs/dbraw/zinc/27/88/48/211278848.db2.gz	PJDGVHAYCNBZDN-UHFFFAOYSA-N	1	1	381.472	4.405	1	5		GIBFMO
CC[N@H+]1CCc2c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc3c2C1	ZINC000095579889	211278851	/nfs/dbraw/zinc/27/88/51/211278851.db2.gz	PJDGVHAYCNBZDN-UHFFFAOYSA-N	1	1	381.472	4.405	1	5		GIBFMO
COc1cc2c3cc4c(cc3c3c(c2cc1OC)C[N@@H+]1CCC[C@H]1C3)OCCO4	ZINC000073311677	211127812	/nfs/dbraw/zinc/12/78/12/211127812.db2.gz	VJONHTGPEWFGJM-AWEZNQCLSA-N	1	1	391.467	4.302	1	5		GIBFMO
C[NH+]1CCN(CCn2c3ccc4ccccc4c3c3nc4ccccc4nc32)CC1	ZINC000066077912	211000761	/nfs/dbraw/zinc/00/07/61/211000761.db2.gz	AACNINVWYIMOAD-UHFFFAOYSA-N	1	1	395.510	4.138	1	5		GIBFMO
c1c2c(cc3c1c1cc4c(cc1c1c3C[C@H]3CCC[N@@H+]3C1)OCCO4)OCCO2	ZINC000073295268	222269981	/nfs/dbraw/zinc/26/99/81/222269981.db2.gz	LCQXBJBYAFGUBG-CQSZACIVSA-N	1	1	389.451	4.056	1	5		GIBFMO
c1c2c(cc3c1c1cc4c(cc1c1c3C[C@@H]3CCC[N@@H+]3C1)OCCO4)OCCO2	ZINC000073295266	222270052	/nfs/dbraw/zinc/27/00/52/222270052.db2.gz	LCQXBJBYAFGUBG-AWEZNQCLSA-N	1	1	389.451	4.056	1	5		GIBFMO
COc1cc2c3cc(OC)c(OC)cc3c3c(c2cc1O)C[N@@H+]1CCC[C@@H]1C3	ZINC000014824787	212117894	/nfs/dbraw/zinc/11/78/94/212117894.db2.gz	ODPLWLKKGHQYFQ-CYBMUJFWSA-N	1	1	379.456	4.245	1	5		GIBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[N@@H+]2CCCC[C@H]2[C@H]1O	ZINC000014947650	221319604	/nfs/dbraw/zinc/31/96/04/221319604.db2.gz	KKXLHPYVIGADHN-GBXCKJPGSA-N	1	1	393.483	4.420	1	5		GIBFMO
COc1cc2c3cc(OC(C)=O)ccc3c3c(c2cc1OC)C[N@@H+]1CCC[C@H]1C3	ZINC000072125142	222208196	/nfs/dbraw/zinc/20/81/96/222208196.db2.gz	YTQKQIIGESTPDU-HNNXBMFYSA-N	1	1	391.467	4.456	1	5		GIBFMO
COC1=C[C@@H]2Cc3c4cc(OC)c(OC)cc4c4cc(OC)ccc4c3C[N@H+]2C1	ZINC000095555035	222355016	/nfs/dbraw/zinc/35/50/16/222355016.db2.gz	REBHYHNVBBDCLC-CQSZACIVSA-N	1	1	391.467	4.289	1	5		GIBFMO
CC1(C)Oc2cc3c(cc2O1)c1c(c2ccc(O)cc23)[C@H](O)[C@@H]2CCC[N@H+]2C1	ZINC000066259524	222138989	/nfs/dbraw/zinc/13/89/89/222138989.db2.gz	LQJHAQZXLBOSAZ-PGRDOPGGSA-N	1	1	377.440	4.217	1	5		GIBFMO
COc1cc2c(cc1O)c1cc(OC)c(OC)cc1c1c2C[N@@H+]2CCC[C@@H]2C1	ZINC000095099545	291138209	/nfs/dbraw/zinc/13/82/09/291138209.db2.gz	ZWPFWEJMOPUEJE-CYBMUJFWSA-N	1	1	379.456	4.245	1	5	biogenic,in-vitro	GIBFMO
CCC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc3c(ccc(OC)c3[N+](=O)[O-])c1)[N@H+]2C	ZINC000013862683	221291608	/nfs/dbraw/zinc/29/16/08/221291608.db2.gz	JYGCGYZVYIDMNS-VZRKHXGSSA-N	1	1	382.460	4.302	1	5		GIBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[N@@H+]2CCC[C@H]2[C@H]1O	ZINC000014853930	221317257	/nfs/dbraw/zinc/31/72/57/221317257.db2.gz	VEPWWLXWVFFRLY-WMZHIEFXSA-N	1	1	379.456	4.030	1	5		GIBFMO