smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CC[C@@H](O)c1cc2ccccc2c2ccccc21	ZINC000001706384	563292690	/nfs/dbraw/zinc/29/26/90/563292690.db2.gz	FFOYQIDOZRZQOE-OAQYLSRUSA-N	1	0	307.437	4.758	40	5		DJBBRO
C[N+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@H]1c1cccnc1	ZINC000001718340	563293311	/nfs/dbraw/zinc/29/33/11/563293311.db2.gz	DHZLAIBCAABUSU-PBVYKCSPSA-N	1	0	322.259	4.870	40	5		DJBBRO
CC(C)(C[N+](C)(C)C)[C@H]1O[C@@H]2CCCC[C@@H]2C2=C1CCCC2	ZINC000012662347	563652814	/nfs/dbraw/zinc/65/28/14/563652814.db2.gz	XUHCPTZAIMAKDK-QRQLOZEOSA-N	1	0	306.514	4.547	40	5		DJBBRO
C[n+]1c2ccc(Cl)cc2nc2cc(-c3ccccc3)ccc21	ZINC000004769460	181149941	/nfs/dbraw/zinc/14/99/41/181149941.db2.gz	LKUIDPASLFTANZ-UHFFFAOYSA-N	1	0	305.788	4.533	40	5		DJBBRO
CC(C)[N+]1(C)CCc2c(c3ccccc3n2Cc2ccccc2)C1	ZINC000001321300	563620162	/nfs/dbraw/zinc/62/01/62/563620162.db2.gz	DZUCQBYWBBOHDD-UHFFFAOYSA-N	1	0	319.472	4.601	40	5		DJBBRO
COc1ccc([C@H](Cc2ccccc2)[N+]2(C)CCCCC2)cc1	ZINC000006519747	181348651	/nfs/dbraw/zinc/34/86/51/181348651.db2.gz	CIFBTSFZMHRBGX-NRFANRHFSA-N	1	0	310.461	4.610	40	5		DJBBRO
CC[N+](CC)(CC)CCN(Cc1ccccc1)c1ccccc1	ZINC000005333417	181230181	/nfs/dbraw/zinc/23/01/81/181230181.db2.gz	RJQPZEAVHFOLBJ-UHFFFAOYSA-N	1	0	311.493	4.570	40	5		DJBBRO
CC[N+](C)(CC)C[C@H](C)Oc1ccccc1Cc1ccccc1	ZINC000005469405	181247401	/nfs/dbraw/zinc/24/74/01/181247401.db2.gz	VBCQLYXVPSLUEU-SFHVURJKSA-N	1	0	312.477	4.531	40	5		DJBBRO
CC(C)CC[NH+](CCc1ccccc1[N+](=O)[O-])CCC(C)C	ZINC000001666515	563864199	/nfs/dbraw/zinc/86/41/99/563864199.db2.gz	IVYYIHQBNPWQKZ-UHFFFAOYSA-N	1	0	306.450	4.532	40	5		DJBBRO
C[N+](C)(C)C1(Cc2ccccc2)c2ccccc2-c2ccccc21	ZINC000001724883	563294006	/nfs/dbraw/zinc/29/40/06/563294006.db2.gz	NPEOTKSVNHZJOJ-UHFFFAOYSA-N	1	0	314.452	4.860	40	5		DJBBRO
C[N+]1(Cc2ccc(Cl)cc2Cl)CCC[C@@H]1c1cccnc1	ZINC000001718338	180891510	/nfs/dbraw/zinc/89/15/10/180891510.db2.gz	QKXBESHCXMNDMS-OQHSHRKDSA-N	1	0	322.259	4.870	40	5		DJBBRO
CC(C)(C[N+](C)(C)C)[C@H]1O[C@H]2CCCC[C@@H]2C2=C1CCCC2	ZINC000004061021	181068258	/nfs/dbraw/zinc/06/82/58/181068258.db2.gz	XUHCPTZAIMAKDK-NEWSRXKRSA-N	1	0	306.514	4.547	40	5		DJBBRO
CC[N+](CC)(CC)CCOc1ccccc1Cc1ccccc1	ZINC000005469453	181247516	/nfs/dbraw/zinc/24/75/16/181247516.db2.gz	YAJIMGRZGQIJME-UHFFFAOYSA-N	1	0	312.477	4.533	40	5		DJBBRO
O[C@H](C[NH+]1CCCCC1)c1ccc2c(ccc3ccccc32)c1	ZINC000006584157	181357105	/nfs/dbraw/zinc/35/71/05/181357105.db2.gz	AYHOQGFZDJXDID-OAQYLSRUSA-N	1	0	305.421	4.512	40	5		DJBBRO
CCCCC[N+](C)(CCC)[C@H](C)[C@H](OC(C)=O)c1ccccc1	ZINC000005254167	181222355	/nfs/dbraw/zinc/22/23/55/181222355.db2.gz	BOEMESBZYXNQRJ-HXOQZHHGSA-N	1	0	320.497	4.726	40	5		DJBBRO
C[N+]1(Cc2ccc(Cl)c(Cl)c2)CCC[C@@H]1c1cccnc1	ZINC000001718342	563293353	/nfs/dbraw/zinc/29/33/53/563293353.db2.gz	DHZLAIBCAABUSU-OQHSHRKDSA-N	1	0	322.259	4.870	40	5		DJBBRO
Cc1cc2c(cc1N)[nH+]c1cc(N)c(C)cc1c2-c1ccccc1	ZINC000004707853	181140135	/nfs/dbraw/zinc/14/01/35/181140135.db2.gz	AFYNWNWCDBFAJL-UHFFFAOYSA-N	1	0	313.404	4.836	40	5		DJBBRO
CC[NH+](CC)CC[C@H](O)c1cc2ccccc2c2ccccc21	ZINC000006382363	181335930	/nfs/dbraw/zinc/33/59/30/181335930.db2.gz	FFOYQIDOZRZQOE-NRFANRHFSA-N	1	0	307.437	4.758	40	5		DJBBRO
COc1ccc([C@@H](Cc2ccccc2)[N+]2(C)CCCCC2)cc1	ZINC000001667071	563289991	/nfs/dbraw/zinc/28/99/91/563289991.db2.gz	CIFBTSFZMHRBGX-OAQYLSRUSA-N	1	0	310.461	4.610	40	5		DJBBRO
CC[N+](C)(CC)C[C@@H](C)Oc1ccccc1Cc1ccccc1	ZINC000005469397	181247452	/nfs/dbraw/zinc/24/74/52/181247452.db2.gz	VBCQLYXVPSLUEU-GOSISDBHSA-N	1	0	312.477	4.531	40	5		DJBBRO
CC(C)(C[N+](C)(C)C)[C@H]1O[C@H]2CCCC[C@H]2C2=C1CCCC2	ZINC000004061017	181068027	/nfs/dbraw/zinc/06/80/27/181068027.db2.gz	XUHCPTZAIMAKDK-WDSOQIARSA-N	1	0	306.514	4.547	40	5		DJBBRO
C[N+]1(Cc2ccc(Cl)cc2Cl)CCC[C@H]1c1cccnc1	ZINC000001718336	563293263	/nfs/dbraw/zinc/29/32/63/563293263.db2.gz	QKXBESHCXMNDMS-PBVYKCSPSA-N	1	0	322.259	4.870	40	5		DJBBRO
CCC[N+]1(C)CCc2c(c3ccccc3n2Cc2ccccc2)C1	ZINC000001322424	563620318	/nfs/dbraw/zinc/62/03/18/563620318.db2.gz	IPIIRIDTLMGTCC-UHFFFAOYSA-N	1	0	319.472	4.602	40	5		DJBBRO
CCCCC[N+](C)(CCC)[C@@H](C)[C@H](OC(C)=O)c1ccccc1	ZINC000005254164	181222555	/nfs/dbraw/zinc/22/25/55/181222555.db2.gz	BOEMESBZYXNQRJ-LTGDSAQFSA-N	1	0	320.497	4.726	40	5		DJBBRO
O[C@@H](C[NH+]1CCCCC1)c1ccc2c(ccc3ccccc32)c1	ZINC000001594884	563286821	/nfs/dbraw/zinc/28/68/21/563286821.db2.gz	AYHOQGFZDJXDID-NRFANRHFSA-N	1	0	305.421	4.512	40	5		DJBBRO