smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+]1(CC)Cc2cc3ccccc3c(-c3ccccc3)c2C1	ZINC000001244188	563809725	/nfs/dbraw/zinc/80/97/25/563809725.db2.gz	GQVIAIRMUJJFBM-UHFFFAOYSA-N	1	0	302.441	5.377	50	5		DKBARO
C[N+]1(C)Cc2c(c(-c3ccccc3)c3ccccc3c2Cl)C1	ZINC000001268749	563809980	/nfs/dbraw/zinc/80/99/80/563809980.db2.gz	ZOTUGCBAURSDFV-UHFFFAOYSA-N	1	0	308.832	5.250	50	5		DKBARO
CCC[N+]12CCC(CC1)C(=C(c1ccccc1)c1ccccc1)C2	ZINC000001307856	563810942	/nfs/dbraw/zinc/81/09/42/563810942.db2.gz	KHRUJQGSFBGEOZ-UHFFFAOYSA-N	1	0	318.484	5.139	50	5		DKBARO
CC[N+]1(CC)CCC(=C(c2ccccc2)c2ccccc2)[C@H]1C	ZINC000001481906	563284853	/nfs/dbraw/zinc/28/48/53/563284853.db2.gz	ZYEPZINLLPPBMI-GOSISDBHSA-N	1	0	306.473	5.137	50	5	in-man	DKBARO
c1ccc(-c2c3c(cc4ccccc42)C[N+]2(C3)CCCCC2)cc1	ZINC000001800989	563879249	/nfs/dbraw/zinc/87/92/49/563879249.db2.gz	ZGXXVOZJRYABAE-UHFFFAOYSA-N	1	0	314.452	5.521	50	5		DKBARO
C[N+]1(C)CC[C@H]2c3ccccc3Sc3ccc(Cl)cc3[C@@H]21	ZINC000002032264	563298143	/nfs/dbraw/zinc/29/81/43/563298143.db2.gz	IDACGEVKHXFPBN-KBXCAEBGSA-N	1	0	316.877	5.110	50	5		DKBARO
C[N+]1(C)CC[C@H]2c3ccccc3Sc3ccc(Cl)cc3[C@H]21	ZINC000002032266	563298394	/nfs/dbraw/zinc/29/83/94/563298394.db2.gz	IDACGEVKHXFPBN-KSSFIOAISA-N	1	0	316.877	5.110	50	5		DKBARO
C[N+]1(C)CC[C@@H]2c3ccccc3Sc3ccc(Cl)cc3[C@@H]21	ZINC000002032268	180907004	/nfs/dbraw/zinc/90/70/04/180907004.db2.gz	IDACGEVKHXFPBN-RDTXWAMCSA-N	1	0	316.877	5.110	50	5		DKBARO
C[N+]1(C)CC[C@@H]2c3ccccc3Sc3ccc(Cl)cc3[C@H]21	ZINC000002032271	180906713	/nfs/dbraw/zinc/90/67/13/180906713.db2.gz	IDACGEVKHXFPBN-KDOFPFPSSA-N	1	0	316.877	5.110	50	5		DKBARO
CC[N+](CC)(CC)CCOc1ccc(/C=C/c2ccccc2)cc1	ZINC000002036061	563298516	/nfs/dbraw/zinc/29/85/16/563298516.db2.gz	YIMFXBPXUPTIEJ-OUKQBFOZSA-N	1	0	324.488	5.112	50	5	in-man	DKBARO
CC[N+]1(CC)CCC(=C(c2ccccc2)c2ccccc2)[C@@H]1C	ZINC000002037707	180907442	/nfs/dbraw/zinc/90/74/42/180907442.db2.gz	ZYEPZINLLPPBMI-SFHVURJKSA-N	1	0	306.473	5.137	50	5	in-man	DKBARO
C[N+](C)(C/C=C/c1ccccc1)Cc1cccc2ccccc21	ZINC000002279316	563921083	/nfs/dbraw/zinc/92/10/83/563921083.db2.gz	CUEGWWBJKWSEKE-FMIVXFBMSA-N	1	0	302.441	5.130	50	5		DKBARO
Cc1c(C[NH+]2CCCCC2)cc2c3ccccc3ccc2c1C	ZINC000002289163	563925046	/nfs/dbraw/zinc/92/50/46/563925046.db2.gz	VHNNRZGARZOBHK-UHFFFAOYSA-N	1	0	303.449	5.596	50	5		DKBARO
CCC[N+]1(CCC)Cc2cc3ccc4ccccc4c3cc2C1	ZINC000002318309	563621562	/nfs/dbraw/zinc/62/15/62/563621562.db2.gz	CKZJNEZXOZZFGR-UHFFFAOYSA-N	1	0	304.457	5.643	50	5		DKBARO
Cc1cc(-c2ccccc2)cc2c3ccccc3c3ccccc3[n+]12	ZINC000002981378	180973525	/nfs/dbraw/zinc/97/35/25/180973525.db2.gz	CQGPXCGZQFGTLT-UHFFFAOYSA-N	1	0	320.415	5.707	50	5		DKBARO
CCNc1cc2sc3cc(=[NH+]CC)c(C)cc-3nc2cc1C	ZINC000003861474	181050279	/nfs/dbraw/zinc/05/02/79/181050279.db2.gz	CIGHCERGVVXOOH-UHFFFAOYSA-N	1	0	312.462	5.211	50	5		DKBARO
Cc1c2ccccc2[nH]c1-c1c2ccccc2nc2ccccc21	ZINC000004117089	181075358	/nfs/dbraw/zinc/07/53/58/181075358.db2.gz	XXFOEMKDZGIHKT-UHFFFAOYSA-N	1	0	308.384	5.845	50	5		DKBARO
c1ccc(-c2c3c(cc4ccccc42)C[N+]2(CCCC2)C3)cc1	ZINC000004311794	181095918	/nfs/dbraw/zinc/09/59/18/181095918.db2.gz	ILJGNHUZVHYZDK-UHFFFAOYSA-N	1	0	300.425	5.131	50	5		DKBARO
CC1(C)c2cccc([N+](C)(C)C)c2C(C)(C)C(C)(C)C1(C)C	ZINC000004798113	181153052	/nfs/dbraw/zinc/15/30/52/181153052.db2.gz	AXITVAGWVSVJBM-UHFFFAOYSA-N	1	0	302.526	5.505	50	5		DKBARO
CCCC[N@H+](CC)Cc1c(C)[nH]c2c3ccccc3ccc2c1=O	ZINC000008572538	563949249	/nfs/dbraw/zinc/94/92/49/563949249.db2.gz	KEUVVAPIVWIGCE-UHFFFAOYSA-N	1	0	322.452	5.024	50	5		DKBARO
Cc1cc(C)c(-c2c3ccccc3[n+](C)c3ccccc32)c(C)c1	ZINC000033799059	182722916	/nfs/dbraw/zinc/72/29/16/182722916.db2.gz	LULZXNOVLBISGB-UHFFFAOYSA-N	1	0	312.436	5.410	50	5		DKBARO
CC[C@@H](C[C@@H](C)c1ccccc1)c1ccc(C[N+](C)(C)C)cc1	ZINC000150273809	717153357	/nfs/dbraw/zinc/15/33/57/717153357.db2.gz	BSMYVBKDBCUVBF-QUCCMNQESA-N	1	0	310.505	5.580	50	5		DKBARO
CC[C@H](C[C@@H](C)c1ccccc1)c1ccc(C[N+](C)(C)C)cc1	ZINC000150274025	717153376	/nfs/dbraw/zinc/15/33/76/717153376.db2.gz	BSMYVBKDBCUVBF-UYAOXDASSA-N	1	0	310.505	5.580	50	5		DKBARO
CC[C@@H](C[C@H](C)c1ccccc1)c1ccc(C[N+](C)(C)C)cc1	ZINC000150274219	717153383	/nfs/dbraw/zinc/15/33/83/717153383.db2.gz	BSMYVBKDBCUVBF-ICSRJNTNSA-N	1	0	310.505	5.580	50	5		DKBARO
CC[C@H](C[C@H](C)c1ccccc1)c1ccc(C[N+](C)(C)C)cc1	ZINC000150274432	717153592	/nfs/dbraw/zinc/15/35/92/717153592.db2.gz	BSMYVBKDBCUVBF-AZUAARDMSA-N	1	0	310.505	5.580	50	5		DKBARO