smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2nc3cc(Cl)ccc3c(NCCCCC[NH+]3CCCCC3)c2c1	ZINC000004353145	557545070	/nfs/dbraw/zinc/54/50/70/557545070.db2.gz	MRDUIMWRCOBGBZ-UHFFFAOYSA-N	1	3	411.977	6.118	40	10		HKCBHO
CCCC[N@H+](CCO)Cc1cc(Nc2c3ccccc3nc3ccccc32)ccc1O	ZINC000004366367	557547540	/nfs/dbraw/zinc/54/75/40/557547540.db2.gz	KWXCOQPYBVERDB-UHFFFAOYSA-N	1	3	415.537	5.432	40	10		HKCBHO
CCCC[N@@H+](CCO)Cc1cc(Nc2c3ccccc3nc3ccccc32)ccc1O	ZINC000004366367	557547543	/nfs/dbraw/zinc/54/75/43/557547543.db2.gz	KWXCOQPYBVERDB-UHFFFAOYSA-N	1	3	415.537	5.432	40	10		HKCBHO
COc1ccc2nc3cc(Cl)ccc3c(NCCC[C@H](C)[NH+]3CCCCC3)c2c1	ZINC000004411118	557552547	/nfs/dbraw/zinc/55/25/47/557552547.db2.gz	ZOVSLDVNNYVHJF-KRWDZBQOSA-N	1	3	411.977	6.117	40	10		HKCBHO
COc1ccc2nc3cc(Cl)ccc3c(NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1	ZINC000005519367	557659468	/nfs/dbraw/zinc/65/94/68/557659468.db2.gz	WDOZYYCIYOXKKX-QMHKHESXSA-N	1	3	409.961	5.726	40	10		HKCBHO
COc1ccc2nc3cc(Cl)ccc3c(NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2c1	ZINC000005519367	557659471	/nfs/dbraw/zinc/65/94/71/557659471.db2.gz	WDOZYYCIYOXKKX-QMHKHESXSA-N	1	3	409.961	5.726	40	10		HKCBHO
COc1ccc2nc3cc(Cl)ccc3c(NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1	ZINC000005519368	557659475	/nfs/dbraw/zinc/65/94/75/557659475.db2.gz	WDOZYYCIYOXKKX-WAIKUNEKSA-N	1	3	409.961	5.726	40	10		HKCBHO
COc1ccc2nc3cc(Cl)ccc3c(NC[C@H]3CCC[N@H+]4CCCC[C@H]34)c2c1	ZINC000005519368	557659476	/nfs/dbraw/zinc/65/94/76/557659476.db2.gz	WDOZYYCIYOXKKX-WAIKUNEKSA-N	1	3	409.961	5.726	40	10		HKCBHO
COc1ccc2nc3cc(Cl)ccc3c(NCC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1	ZINC000005519369	557659377	/nfs/dbraw/zinc/65/93/77/557659377.db2.gz	RRPCHVOTWQFQCR-BXKMTCNYSA-N	1	3	423.988	6.117	40	10		HKCBHO
COc1ccc2nc3cc(Cl)ccc3c(NCC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2c1	ZINC000005519369	557659381	/nfs/dbraw/zinc/65/93/81/557659381.db2.gz	RRPCHVOTWQFQCR-BXKMTCNYSA-N	1	3	423.988	6.117	40	10		HKCBHO
COc1ccc2nc3cc(Cl)ccc3c(NCC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c2c1	ZINC000005519371	557659460	/nfs/dbraw/zinc/65/94/60/557659460.db2.gz	RRPCHVOTWQFQCR-MZNJEOGPSA-N	1	3	423.988	6.117	40	10		HKCBHO
COc1ccc2nc3cc(Cl)ccc3c(NCC[C@H]3CCC[N@H+]4CCCC[C@H]34)c2c1	ZINC000005519371	557659462	/nfs/dbraw/zinc/65/94/62/557659462.db2.gz	RRPCHVOTWQFQCR-MZNJEOGPSA-N	1	3	423.988	6.117	40	10		HKCBHO
COc1ccc2nc3cc(Cl)ccc3c(NCCC[C@@H](C)[NH+]3CCCCC3)c2c1	ZINC000008602883	557796423	/nfs/dbraw/zinc/79/64/23/557796423.db2.gz	ZOVSLDVNNYVHJF-QGZVFWFLSA-N	1	3	411.977	6.117	40	10		HKCBHO