smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cc(C)no2)c(O)c1	ZINC000012154149	563363155	/nfs/dbraw/zinc/36/31/55/563363155.db2.gz	MLEYWUWQPDTSLN-MRXNPFEDSA-N	1	1	316.401	3.815	40	10		DHCBMO
Cn1ccc([C@H]2CCCCC[N@@H+]2Cc2cc(Cl)ccc2O)n1	ZINC000012154148	563363224	/nfs/dbraw/zinc/36/32/24/563363224.db2.gz	PFAUXGGVVFTGCA-MRXNPFEDSA-N	1	1	319.836	3.896	40	10		DHCBMO
Cn1ccc([C@H]2CCCCC[N@H+]2Cc2cc(Cl)ccc2O)n1	ZINC000012154148	563363227	/nfs/dbraw/zinc/36/32/27/563363227.db2.gz	PFAUXGGVVFTGCA-MRXNPFEDSA-N	1	1	319.836	3.896	40	10		DHCBMO
COc1ccc(C[N@H+]2CCCCC[C@H]2c2cc(C)on2)c(O)c1	ZINC000012185851	563364042	/nfs/dbraw/zinc/36/40/42/563364042.db2.gz	XPZASMBEGBSPHH-KRWDZBQOSA-N	1	1	316.401	3.815	40	10		DHCBMO
CN(C)c1ccc(C[N@H+]2CC[C@H](c3nc4ccccc4o3)C2)cc1	ZINC000049168870	560084823	/nfs/dbraw/zinc/08/48/23/560084823.db2.gz	CKSUCWBDEJKEFB-INIZCTEOSA-N	1	1	321.424	3.883	40	10	biogenic,in-vitro	DHCBMO
CN(C)c1ccc(C[N@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)cc1	ZINC000049169047	563700942	/nfs/dbraw/zinc/70/09/42/563700942.db2.gz	YHUMLFGNNTWGAQ-INIZCTEOSA-N	1	1	320.440	3.618	40	10	biogenic,in-vitro	DHCBMO
CC[NH+](CC)c1ccc(NNCc2ccc(N(C)C)cc2)cc1	ZINC000001671900	563290742	/nfs/dbraw/zinc/29/07/42/563290742.db2.gz	VTSYMDOKOIWJCW-UHFFFAOYSA-N	1	1	312.461	3.716	40	10		DHCBMO
COc1ccc(C[N@H+]2CCCCC[C@H]2c2cc(C)no2)c(O)c1	ZINC000012154150	563363419	/nfs/dbraw/zinc/36/34/19/563363419.db2.gz	MLEYWUWQPDTSLN-INIZCTEOSA-N	1	1	316.401	3.815	40	10		DHCBMO
C[NH+]1CCN(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1	ZINC000004792199	181152538	/nfs/dbraw/zinc/15/25/38/181152538.db2.gz	XRTOJWBQQPMCIX-QZQOTICOSA-N	1	1	323.400	3.881	40	10		DHCBMO
Cn1cc([C@H]2CCCCC[N@H+]2Cc2cc(Cl)ccc2O)cn1	ZINC000019290609	182112595	/nfs/dbraw/zinc/11/25/95/182112595.db2.gz	HBFBXRXWXMKFIB-MRXNPFEDSA-N	1	1	319.836	3.896	40	10		DHCBMO
COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cc(C)on2)c(O)c1	ZINC000012185848	563363993	/nfs/dbraw/zinc/36/39/93/563363993.db2.gz	XPZASMBEGBSPHH-QGZVFWFLSA-N	1	1	316.401	3.815	40	10		DHCBMO
Cn1cc([C@@H]2CCCCC[N@H+]2Cc2cc(Cl)ccc2O)cn1	ZINC000019290607	182112492	/nfs/dbraw/zinc/11/24/92/182112492.db2.gz	HBFBXRXWXMKFIB-INIZCTEOSA-N	1	1	319.836	3.896	40	10		DHCBMO
Cc1cc(C[NH+]2CCCCC2)c([O-])c(C[NH+]2CCCCC2)c1	ZINC000001622094	563288175	/nfs/dbraw/zinc/28/81/75/563288175.db2.gz	OBMRKNTWRSFMQZ-UHFFFAOYSA-N	1	1	302.462	3.672	40	10	in-vitro	DHCBMO
Oc1cc2c(cc1O)[C@@H](c1ccc(Cl)cc1Cl)[NH2+]CC2	ZINC000019691296	182137808	/nfs/dbraw/zinc/13/78/08/182137808.db2.gz	BKSZHUYQRBSSEN-OAHLLOKOSA-N	1	1	310.180	3.640	40	10		DHCBMO
Oc1cc2c(cc1O)[C@H](c1ccc(Cl)cc1Cl)[NH2+]CC2	ZINC000019691294	182137742	/nfs/dbraw/zinc/13/77/42/182137742.db2.gz	BKSZHUYQRBSSEN-HNNXBMFYSA-N	1	1	310.180	3.640	40	10		DHCBMO
Cn1ccc([C@@H]2CCCCC[N@@H+]2Cc2cc(Cl)ccc2O)n1	ZINC000012154147	563362996	/nfs/dbraw/zinc/36/29/96/563362996.db2.gz	PFAUXGGVVFTGCA-INIZCTEOSA-N	1	1	319.836	3.896	40	10		DHCBMO
Cn1ccc([C@@H]2CCCCC[N@H+]2Cc2cc(Cl)ccc2O)n1	ZINC000012154147	563362999	/nfs/dbraw/zinc/36/29/99/563362999.db2.gz	PFAUXGGVVFTGCA-INIZCTEOSA-N	1	1	319.836	3.896	40	10		DHCBMO