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@@H]1CN(C(C)(C)C#CC#CC(C)(C)[N@@H+]2CC[C@H](O)[C@H](C)C2)CC[C@@H]1O	ZINC000004753524	518311091	/nfs/dbraw/zinc/31/10/91/518311091.db2.gz	CWZZDRLMJRGFCW-ZRNYENFQSA-N	1	3	360.542	1.956	50	30		FDEAHO
C[C@@H]1CN(C(C)(C)C#CC#CC(C)(C)[N@H+]2CC[C@H](O)[C@H](C)C2)CC[C@@H]1O	ZINC000004753524	518311095	/nfs/dbraw/zinc/31/10/95/518311095.db2.gz	CWZZDRLMJRGFCW-ZRNYENFQSA-N	1	3	360.542	1.956	50	30		FDEAHO
C=CC[NH2+]Cc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(OC)c1	ZINC000014968421	518953575	/nfs/dbraw/zinc/95/35/75/518953575.db2.gz	DSYIABUOZLLSES-KRWDZBQOSA-N	1	3	350.459	1.167	50	30		FDEAHO
C=CCNCc1cc(OC)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1	ZINC000011879409	670608895	/nfs/dbraw/zinc/60/88/95/670608895.db2.gz	BIJCCQFPVOZBGY-KRWDZBQOSA-N	1	3	350.459	1.167	50	30		FDEAHO
C[C@H](C1CCN(Cc2ccc(C#CCO)cc2)CC1)[NH+]1CCN(C)CC1	ZINC000215804638	537441317	/nfs/dbraw/zinc/44/13/17/537441317.db2.gz	BUIBHWKSHPQFQT-LJQANCHMSA-N	1	3	355.526	1.878	50	30		FDEAHO
C[C@@H](C1CCN(Cc2ccc(C#CCO)cc2)CC1)[NH+]1CCN(C)CC1	ZINC000215804596	537442181	/nfs/dbraw/zinc/44/21/81/537442181.db2.gz	BUIBHWKSHPQFQT-IBGZPJMESA-N	1	3	355.526	1.878	50	30		FDEAHO
CNS(=O)(=O)c1ccc(C[N+](=O)C2N(C)C(=S)SC2(C)C)cc1	ZINC000002254869	204030779	/nfs/dbraw/zinc/03/07/79/204030779.db2.gz	ATVYOJCRWDCIPB-AXIYWZQUSA-N	1	3	373.525	1.592	50	30		FDEAHO
CCOC(=O)C(CC#CCN(C)C)(CC#CC[NH+](C)C)C(=O)OCC	ZINC000002945546	518256048	/nfs/dbraw/zinc/25/60/48/518256048.db2.gz	NYCIKYIJDZSKDB-UHFFFAOYSA-N	1	3	350.459	1.009	50	30		FDEAHO
CNS(=O)(=O)c1ccc(C[N+](=O)C2N(C)C(=S)SC2(C)C)cc1	ZINC000002254871	210386934	/nfs/dbraw/zinc/38/69/34/210386934.db2.gz	ATVYOJCRWDCIPB-CHROMADKSA-N	1	3	373.525	1.592	50	30		FDEAHO
C=CCN1CC[C@]2(CN(CCCn3ccnc3C)CC[N@H+]2C)CCC1=O	ZINC000091829686	210072504	/nfs/dbraw/zinc/07/25/04/210072504.db2.gz	AIAVVRSDVUIRRI-FQEVSTJZSA-N	1	3	359.518	1.766	50	30		FDEAHO
C=CCN1CC[C@]2(CN(CCCn3ccnc3C)CC[N@@H+]2C)CCC1=O	ZINC000091829686	210072509	/nfs/dbraw/zinc/07/25/09/210072509.db2.gz	AIAVVRSDVUIRRI-FQEVSTJZSA-N	1	3	359.518	1.766	50	30		FDEAHO
C=CCN1CC[C@@]2(CN(CCCn3ccnc3C)CC[N@H+]2C)CCC1=O	ZINC000107415525	210138633	/nfs/dbraw/zinc/13/86/33/210138633.db2.gz	AIAVVRSDVUIRRI-HXUWFJFHSA-N	1	3	359.518	1.766	50	30		FDEAHO
C=CCN1CC[C@@]2(CN(CCCn3ccnc3C)CC[N@@H+]2C)CCC1=O	ZINC000107415525	210138637	/nfs/dbraw/zinc/13/86/37/210138637.db2.gz	AIAVVRSDVUIRRI-HXUWFJFHSA-N	1	3	359.518	1.766	50	30		FDEAHO
C=CC[NH2+]Cc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(OC)c1	ZINC000014968426	518952934	/nfs/dbraw/zinc/95/29/34/518952934.db2.gz	DSYIABUOZLLSES-QGZVFWFLSA-N	1	3	350.459	1.167	50	30		FDEAHO
CN1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]2CCCO)CC1	ZINC000091664636	524756859	/nfs/dbraw/zinc/75/68/59/524756859.db2.gz	KDLCGXKTOOAWNX-RTWAWAEBSA-N	1	3	356.514	1.769	50	30		FDEAHO
CN1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2CCCO)CC1	ZINC000091664636	524756867	/nfs/dbraw/zinc/75/68/67/524756867.db2.gz	KDLCGXKTOOAWNX-RTWAWAEBSA-N	1	3	356.514	1.769	50	30		FDEAHO
C=CCNCc1cc(OC)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1	ZINC000011879410	670608916	/nfs/dbraw/zinc/60/89/16/670608916.db2.gz	BIJCCQFPVOZBGY-QGZVFWFLSA-N	1	3	350.459	1.167	50	30		FDEAHO