smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C[C@H]1C[N+]2(c3ccccc3)CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc21	ZINC000040466222	717127341	/nfs/dbraw/zinc/12/73/41/717127341.db2.gz	DPPFQHISSOGLQW-PWOZPVSASA-N	1	0	401.530	4.879	1	30		HJEFRO
CC[N@@+]1(C)CC[C@@](O)(/C=C/c2ccc(C)cc2)[C@H](C(=O)C=Cc2ccc(C)cc2)C1	ZINC000253639316	717166714	/nfs/dbraw/zinc/16/67/14/717166714.db2.gz	DFRWCVQTQOYPCP-GZRWRUIQSA-N	1	0	404.574	4.817	1	30		HJEFRO
CCCCCCCOc1c(OC)cc(C(=O)OCCCC[N+](C)(C)C)cc1OC	ZINC000044247308	717129514	/nfs/dbraw/zinc/12/95/14/717129514.db2.gz	VHFCYCYYAGYINR-UHFFFAOYSA-N	1	0	410.575	4.696	1	30		HJEFRO
C=C[C@H]1C[N+]2(c3ccccc3)CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc21	ZINC000169300930	717154970	/nfs/dbraw/zinc/15/49/70/717154970.db2.gz	DPPFQHISSOGLQW-XCDRCQIASA-N	1	0	401.530	4.879	1	30		HJEFRO
C=C[C@@H]1C[N@+]2(c3ccccc3)CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc21	ZINC000253634206	717166350	/nfs/dbraw/zinc/16/63/50/717166350.db2.gz	DPPFQHISSOGLQW-DMIPOTRWSA-N	1	0	401.530	4.879	1	30		HJEFRO
C=C[C@H]1C[N+]2(c3ccccc3)CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc21	ZINC000040466218	717127459	/nfs/dbraw/zinc/12/74/59/717127459.db2.gz	DPPFQHISSOGLQW-MMEXELFOSA-N	1	0	401.530	4.879	1	30		HJEFRO
C=C[C@H]1C[N+]2(Cc3ccccc3)CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc21	ZINC000001318719	717087822	/nfs/dbraw/zinc/08/78/22/717087822.db2.gz	ZWXVYWVIUDLPJE-FIGPNCGPSA-N	1	0	415.557	4.888	1	30		HJEFRO
C=C[C@@H]1C[N+]2(c3ccccc3)CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc21	ZINC000169300929	717154968	/nfs/dbraw/zinc/15/49/68/717154968.db2.gz	DPPFQHISSOGLQW-PBZUOLMESA-N	1	0	401.530	4.879	1	30		HJEFRO
C=C[C@H]1C[N+]2(c3ccccc3)CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc21	ZINC000040466220	717127443	/nfs/dbraw/zinc/12/74/43/717127443.db2.gz	DPPFQHISSOGLQW-TYIXPABJSA-N	1	0	401.530	4.879	1	30		HJEFRO
C=C[C@H]1C[N+]2(c3ccccc3)CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc21	ZINC000040466216	717127512	/nfs/dbraw/zinc/12/75/12/717127512.db2.gz	DPPFQHISSOGLQW-RFFCKPEFSA-N	1	0	401.530	4.879	1	30		HJEFRO
CC#Cc1ccc(-c2ccc(C(=O)C3CCC(CCCNC(N)=[NH2+])CC3)s2)s1	ZINC000085592367	291272518	/nfs/dbraw/zinc/27/25/18/291272518.db2.gz	OCSADTDHOPJTLJ-UHFFFAOYSA-N	1	0	413.612	4.891	1	30	biogenic,in-vitro	HJEFRO
C[C@]12CCC[C@@H]3C[C@]4(O1)[C@H](C#CCc1cc(O)ccc1C[C@@H]1CCC[C@H]4C1)[C@@H]([NH3+])[C@@H]32	ZINC000085543234	291279223	/nfs/dbraw/zinc/27/92/23/291279223.db2.gz	ONHFDRLXMCXERN-GQPHLSSSSA-N	1	0	405.582	4.592	1	30	biogenic,in-vitro	HJEFRO
C#Cc1ncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1	ZINC000014962530	581091914	/nfs/dbraw/zinc/09/19/14/581091914.db2.gz	KYCYRGUYNYCBAH-QFIPXVFZSA-N	1	0	418.500	4.708	1	30		HJEFRO
CC[N+]1(C)CC[C@@](O)(/C=C/c2ccc(C)cc2)[C@H](C(=O)C=Cc2ccc(C)cc2)C1	ZINC000027319312	717114667	/nfs/dbraw/zinc/11/46/67/717114667.db2.gz	DFRWCVQTQOYPCP-QVRIAGIOSA-N	1	0	404.574	4.817	1	30		HJEFRO
C=C[C@@H]1C[N@+]2(c3ccccc3)CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc21	ZINC000253634211	717166437	/nfs/dbraw/zinc/16/64/37/717166437.db2.gz	DPPFQHISSOGLQW-LKCFXALDSA-N	1	0	401.530	4.879	1	30		HJEFRO
C=C[C@@H]1C[N@+]2(c3ccccc3)CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc21	ZINC000253634209	717166260	/nfs/dbraw/zinc/16/62/60/717166260.db2.gz	DPPFQHISSOGLQW-JIVWHUQLSA-N	1	0	401.530	4.879	1	30		HJEFRO
C[NH2+]C[C@H](C)CC1(CCCC(=O)C=C(O)C=Cc2ccc(O)c(OC)c2)CCCC1	ZINC000085630786	291275748	/nfs/dbraw/zinc/27/57/48/291275748.db2.gz	HJTICFWXHWSGLV-LHUXKHBRSA-N	1	0	415.574	4.919	1	30	biogenic,in-vitro	HJEFRO
C=C[C@@H]1C[N@+]2(c3ccccc3)CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc21	ZINC000253634213	717166187	/nfs/dbraw/zinc/16/61/87/717166187.db2.gz	DPPFQHISSOGLQW-NGDDHLRKSA-N	1	0	401.530	4.879	1	30		HJEFRO
CC[N@+]1(C)CC[C@@](O)(/C=C/c2ccc(C)cc2)[C@H](C(=O)C=Cc2ccc(C)cc2)C1	ZINC000253639321	717166574	/nfs/dbraw/zinc/16/65/74/717166574.db2.gz	DFRWCVQTQOYPCP-OHTMYXNTSA-N	1	0	404.574	4.817	1	30		HJEFRO