smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCn1cc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)c2ccccc21	ZINC000218015561	557175765	/nfs/dbraw/zinc/17/57/65/557175765.db2.gz	VUYZOZQGGDWSIQ-JWVZEJEHSA-N	1	1	447.623	4.252	40	70		IIIBMO
COc1cccc2c1ccn2CCC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21	ZINC000218053690	557176115	/nfs/dbraw/zinc/17/61/15/557176115.db2.gz	ACPVXEYCFGHXGP-MQHKMBAJSA-N	1	1	433.596	4.462	40	70		IIIBMO
COc1ccccc1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)[nH]n1	ZINC000217950513	557175036	/nfs/dbraw/zinc/17/50/36/557175036.db2.gz	PTXIOAJNXSNJKH-DDOGDFNNSA-N	1	1	432.568	4.121	40	70		IIIBMO
COc1ccccc1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)n[nH]1	ZINC000217950513	557175041	/nfs/dbraw/zinc/17/50/41/557175041.db2.gz	PTXIOAJNXSNJKH-DDOGDFNNSA-N	1	1	432.568	4.121	40	70		IIIBMO
COc1ccccc1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)n[nH]1	ZINC000217950513	557175045	/nfs/dbraw/zinc/17/50/45/557175045.db2.gz	PTXIOAJNXSNJKH-DDOGDFNNSA-N	1	1	432.568	4.121	40	70		IIIBMO
COc1ccccc1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)[nH]n1	ZINC000217950431	557175204	/nfs/dbraw/zinc/17/52/04/557175204.db2.gz	PTXIOAJNXSNJKH-IMVQFDEQSA-N	1	1	432.568	4.121	40	70		IIIBMO
COc1ccccc1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)n[nH]1	ZINC000217950431	557175206	/nfs/dbraw/zinc/17/52/06/557175206.db2.gz	PTXIOAJNXSNJKH-IMVQFDEQSA-N	1	1	432.568	4.121	40	70		IIIBMO
COc1ccccc1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)n[nH]1	ZINC000217950431	557175207	/nfs/dbraw/zinc/17/52/07/557175207.db2.gz	PTXIOAJNXSNJKH-IMVQFDEQSA-N	1	1	432.568	4.121	40	70		IIIBMO
COCCn1cc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)c2ccccc21	ZINC000218015625	557175827	/nfs/dbraw/zinc/17/58/27/557175827.db2.gz	VUYZOZQGGDWSIQ-XMQYJYNESA-N	1	1	447.623	4.252	40	70		IIIBMO
O=C(NCc1nc(-c2cccs2)no1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1	ZINC000218078587	557176792	/nfs/dbraw/zinc/17/67/92/557176792.db2.gz	KLYCACJMBBBMMF-UHFFFAOYSA-N	1	1	430.533	4.286	40	70		IIIBMO
COc1cccc2c1ccn2CCC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21	ZINC000218053619	557176123	/nfs/dbraw/zinc/17/61/23/557176123.db2.gz	ACPVXEYCFGHXGP-VBXWPYOKSA-N	1	1	433.596	4.462	40	70		IIIBMO