smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1Nc2c(cccc2C(F)(F)F)[C@@]12[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000217724436	569881184	/nfs/dbraw/zinc/88/11/84/569881184.db2.gz	UBAKJWQJJKFCMI-QNFHRHJVSA-N	1	2	459.399	3.276	50	70		JGIALO
O=C1Nc2c(cccc2C(F)(F)F)[C@@]12[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000217724436	569881185	/nfs/dbraw/zinc/88/11/85/569881185.db2.gz	UBAKJWQJJKFCMI-QNFHRHJVSA-N	1	2	459.399	3.276	50	70		JGIALO
O=C1Nc2c(cccc2C(F)(F)F)[C@@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000217724280	569881191	/nfs/dbraw/zinc/88/11/91/569881191.db2.gz	UBAKJWQJJKFCMI-DVSDUFGPSA-N	1	2	459.399	3.276	50	70		JGIALO
O=C1Nc2c(cccc2C(F)(F)F)[C@@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000217724280	569881192	/nfs/dbraw/zinc/88/11/92/569881192.db2.gz	UBAKJWQJJKFCMI-DVSDUFGPSA-N	1	2	459.399	3.276	50	70		JGIALO
O=C(CCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCn1ccc2ccc(Cl)cc21	ZINC000218276345	569883209	/nfs/dbraw/zinc/88/32/09/569883209.db2.gz	CMKXKXVAXRTUTK-UHFFFAOYSA-N	1	2	453.974	3.325	50	70		JGIALO
COc1ccc(OC)c(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)c1	ZINC000217478207	569880061	/nfs/dbraw/zinc/88/00/61/569880061.db2.gz	ULJJPJQUJPEHNW-SEVLPDGMSA-N	1	2	454.910	3.192	50	70		JGIALO
COc1ccc(OC)c(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)c1	ZINC000217478207	569880062	/nfs/dbraw/zinc/88/00/62/569880062.db2.gz	ULJJPJQUJPEHNW-SEVLPDGMSA-N	1	2	454.910	3.192	50	70		JGIALO
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1	ZINC000217475825	569880100	/nfs/dbraw/zinc/88/01/00/569880100.db2.gz	YVJLMBZWDDLOBM-ANULTFPQSA-N	1	2	466.921	3.352	50	70		JGIALO
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1	ZINC000217475825	569880101	/nfs/dbraw/zinc/88/01/01/569880101.db2.gz	YVJLMBZWDDLOBM-ANULTFPQSA-N	1	2	466.921	3.352	50	70		JGIALO
O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1c[nH+]c[nH]1	ZINC000217909488	569882083	/nfs/dbraw/zinc/88/20/83/569882083.db2.gz	LGDDFIYETKVICE-XMMPIXPASA-N	1	2	457.534	3.444	50	70		JGIALO
O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1c[nH]c[nH+]1	ZINC000217909488	569882084	/nfs/dbraw/zinc/88/20/84/569882084.db2.gz	LGDDFIYETKVICE-XMMPIXPASA-N	1	2	457.534	3.444	50	70		JGIALO
O=C1Nc2c(cccc2C(F)(F)F)[C@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000217724347	569881129	/nfs/dbraw/zinc/88/11/29/569881129.db2.gz	UBAKJWQJJKFCMI-GEYWLOKFSA-N	1	2	459.399	3.276	50	70		JGIALO
O=C1Nc2c(cccc2C(F)(F)F)[C@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000217724347	569881130	/nfs/dbraw/zinc/88/11/30/569881130.db2.gz	UBAKJWQJJKFCMI-GEYWLOKFSA-N	1	2	459.399	3.276	50	70		JGIALO
O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1c[nH+]c[nH]1	ZINC000217909557	569882072	/nfs/dbraw/zinc/88/20/72/569882072.db2.gz	LGDDFIYETKVICE-DEOSSOPVSA-N	1	2	457.534	3.444	50	70		JGIALO
O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1c[nH]c[nH+]1	ZINC000217909557	569882073	/nfs/dbraw/zinc/88/20/73/569882073.db2.gz	LGDDFIYETKVICE-DEOSSOPVSA-N	1	2	457.534	3.444	50	70		JGIALO
COC(=O)C[C@@H](c1cc2c(cc1O)OCO2)c1cc2ccc(OC)cc2[nH+]c1N1CCOCC1	ZINC000218267456	569883147	/nfs/dbraw/zinc/88/31/47/569883147.db2.gz	NZSZSKZLQQACTH-KRWDZBQOSA-N	1	2	466.490	3.209	50	70		JGIALO
CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1	ZINC000217479471	569880079	/nfs/dbraw/zinc/88/00/79/569880079.db2.gz	VLGJOAPBJSCFFS-ANULTFPQSA-N	1	2	452.894	3.100	50	70		JGIALO
CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1	ZINC000217479471	569880080	/nfs/dbraw/zinc/88/00/80/569880080.db2.gz	VLGJOAPBJSCFFS-ANULTFPQSA-N	1	2	452.894	3.100	50	70		JGIALO
COC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1cc2ccc(OC)cc2[nH+]c1N1CCOCC1	ZINC000218267512	569883155	/nfs/dbraw/zinc/88/31/55/569883155.db2.gz	NZSZSKZLQQACTH-QGZVFWFLSA-N	1	2	466.490	3.209	50	70		JGIALO
O=C1Nc2c(cccc2C(F)(F)F)[C@]12[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000217724520	569881164	/nfs/dbraw/zinc/88/11/64/569881164.db2.gz	UBAKJWQJJKFCMI-FSBGXSNOSA-N	1	2	459.399	3.276	50	70		JGIALO
O=C1Nc2c(cccc2C(F)(F)F)[C@]12[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000217724520	569881165	/nfs/dbraw/zinc/88/11/65/569881165.db2.gz	UBAKJWQJJKFCMI-FSBGXSNOSA-N	1	2	459.399	3.276	50	70		JGIALO