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)[nH]c1c2CC[N@H+]2C[C@H]3C[C@H](O)[C@@H](OC)[C@H](C(=O)[O-])[C@@H]3C[C@@H]12	ZINC000257459006	568818584	/nfs/dbraw/zinc/81/85/84/568818584.db2.gz	JVHNBFFHWQQPLL-KVUHBRDASA-N	0	1	400.475	2.192	3	0		HEAFMN
COc1ccc2c(c1)[nH]c1c2CC[N@@H+]2C[C@H]3C[C@H](O)[C@@H](OC)[C@H](C(=O)[O-])[C@@H]3C[C@@H]12	ZINC000257459006	568818585	/nfs/dbraw/zinc/81/85/85/568818585.db2.gz	JVHNBFFHWQQPLL-KVUHBRDASA-N	0	1	400.475	2.192	3	0		HEAFMN
O=C(NCCC1(N2CCOCC2)CCCC1)c1cc2[nH]c(=O)c3ccccc3n2n1	ZINC000043079441	581101300	/nfs/dbraw/zinc/10/13/00/581101300.db2.gz	PIPCUQXGOFMTFB-UHFFFAOYSA-N	0	1	409.490	2.353	1	0		HEAFMN
COc1ccc2c(c1)[nH]c1c2CC[N@H+]2C[C@H]3C[C@H](O)[C@@H](OC)[C@@H](C(=O)[O-])[C@@H]3C[C@@H]12	ZINC000257459005	568818530	/nfs/dbraw/zinc/81/85/30/568818530.db2.gz	JVHNBFFHWQQPLL-BEHBBHLFSA-N	0	1	400.475	2.192	3	0		HEAFMN
COc1ccc2c(c1)[nH]c1c2CC[N@@H+]2C[C@H]3C[C@H](O)[C@@H](OC)[C@@H](C(=O)[O-])[C@@H]3C[C@@H]12	ZINC000257459005	568818532	/nfs/dbraw/zinc/81/85/32/568818532.db2.gz	JVHNBFFHWQQPLL-BEHBBHLFSA-N	0	1	400.475	2.192	3	0		HEAFMN
CN1CCN(C(=O)c2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)CC1	ZINC000040975504	581099995	/nfs/dbraw/zinc/09/99/95/581099995.db2.gz	XALOFLMEUAMOLD-UHFFFAOYSA-N	0	1	402.458	2.041	1	0		HEAFMN
CCNC(=O)c1cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2s1	ZINC000003819821	535413649	/nfs/dbraw/zinc/41/36/49/535413649.db2.gz	DZGPQCOEPODXIA-UHFFFAOYSA-N	0	1	412.519	2.378	1	0		HEAFMN
CCCCOc1ccc(S(=O)(=O)N2CC(NC[C@H](O)c3ccc(O)cc3)C2)cc1	ZINC000026276453	581093839	/nfs/dbraw/zinc/09/38/39/581093839.db2.gz	RTZATHWISXFFBI-NRFANRHFSA-N	0	1	420.531	2.267	1	0		HEAFMN
O=c1cc(CO)oc2cc3c(c(O)c12)C[C@@H](O)[C@](CO)(C/C=C/c1ccccc1)O3	ZINC000085593570	291213665	/nfs/dbraw/zinc/21/36/65/291213665.db2.gz	SRIBZZUJAFWVFS-NCTPOAFISA-N	0	1	410.422	2.121	1	0	biogenic,in-vitro	HEAFMN
C/C=C(/CC[NH2+]C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3cc2OC1(C)C	ZINC000085595326	291202095	/nfs/dbraw/zinc/20/20/95/291202095.db2.gz	OYZUQFKMKLWDEQ-OHMHXEGESA-N	0	1	417.458	2.172	1	0	biogenic,in-vitro	HEAFMN
CC(=O)Nc1cc(-c2cccc(N3CCN(C)CC3)n2)nc(-n2nc(C)cc2C)n1	ZINC000040423793	581093580	/nfs/dbraw/zinc/09/35/80/581093580.db2.gz	CQMWNSQCEMHNIW-UHFFFAOYSA-N	0	1	406.494	2.051	1	0		HEAFMN
CC1(C)Oc2cc3oc([C@H](O)c4cc(O)cc(O)c4)cc(O)c-3c(=O)c2C[C@H]1O	ZINC000085593585	291203542	/nfs/dbraw/zinc/20/35/42/291203542.db2.gz	PGUDJUZHDACRHE-IEBWSBKVSA-N	0	1	400.383	2.066	1	0	biogenic,in-vitro	HEAFMN
NC(=[NH2+])c1ccc([O-])c(/C=C/CNC(=O)c2ccc(-c3ccnc(C(N)=O)c3)cc2)c1	ZINC000002008910	581101079	/nfs/dbraw/zinc/10/10/79/581101079.db2.gz	VSHBEBIVNLJTGI-OWOJBTEDSA-N	0	1	415.453	2.280	1	0		HEAFMN
Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nc[nH]c2c1	ZINC000013488043	581093916	/nfs/dbraw/zinc/09/39/16/581093916.db2.gz	BDCJAGQAAOPKLF-UHFFFAOYSA-N	0	1	416.485	2.399	1	0		HEAFMN
C/C=C(/C[NH2+]CC)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3cc2OC1(C)C	ZINC000085595324	291202088	/nfs/dbraw/zinc/20/20/88/291202088.db2.gz	MWIBBZYNXPVRKO-OHMHXEGESA-N	0	1	417.458	2.172	1	0	biogenic,in-vitro	HEAFMN
C[NH+]1CCN(c2nc3c(-c4ccc(F)cc4)cc(C(=O)[O-])c(=O)n3cc2F)CC1	ZINC000006480787	132311218	/nfs/dbraw/zinc/31/12/18/132311218.db2.gz	WJPGDZAPXIQBQZ-UHFFFAOYSA-N	0	1	400.385	2.090	1	0		HEAFMN
COc1ccc2c(c1)[nH]c1c2CC[N@H+]2C[C@H]3C[C@H](O)[C@H](OC)[C@@H](C(=O)[O-])[C@@H]3C[C@@H]12	ZINC000105106825	559162291	/nfs/dbraw/zinc/16/22/91/559162291.db2.gz	JVHNBFFHWQQPLL-CWEBIKQSSA-N	0	1	400.475	2.192	3	0		HEAFMN
COc1ccc2c(c1)[nH]c1c2CC[N@@H+]2C[C@H]3C[C@H](O)[C@H](OC)[C@@H](C(=O)[O-])[C@@H]3C[C@@H]12	ZINC000105106825	559162292	/nfs/dbraw/zinc/16/22/92/559162292.db2.gz	JVHNBFFHWQQPLL-CWEBIKQSSA-N	0	1	400.475	2.192	3	0		HEAFMN