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(Nc2cccc(O)c2)=[NH+]c2ccccc2)cc1	ZINC000096914210	185391203	/nfs/dbraw/zinc/39/12/03/185391203.db2.gz	ICSIUAMFCMUSHI-UHFFFAOYSA-N	1	1	318.376	4.591	1	30		DJEFMO
CCCCCCCC[N@H+]1CC[C@]2(C1)O[C@@H](OC)c1ccccc12	ZINC000084705865	192458732	/nfs/dbraw/zinc/45/87/32/192458732.db2.gz	PVYPOQGJHDQGBC-WOJBJXKFSA-N	1	1	317.473	4.623	1	30		DJEFMO
CCCCCCCCC[C@@H]1C[C@H](O)[C@H](Cc2ccccc2)[N@H+]1C	ZINC000040792044	183134260	/nfs/dbraw/zinc/13/42/60/183134260.db2.gz	GBCXKHLKJHRTAB-HKBOAZHASA-N	1	1	317.517	4.803	1	30		DJEFMO
COc1ccc(-c2ccc3c(c2)[C@@H]2C[C@H]3CC[N@H+]2CCC#N)cc1	ZINC000061942427	184197318	/nfs/dbraw/zinc/19/73/18/184197318.db2.gz	MQGFOMWJWDSZCC-UTKZUKDTSA-N	1	1	318.420	4.510	1	30		DJEFMO
COc1ccc(-c2ccc3c(c2)[C@@H]2C[C@H]3CC[N@@H+]2CCC#N)cc1	ZINC000061942427	184197319	/nfs/dbraw/zinc/19/73/19/184197319.db2.gz	MQGFOMWJWDSZCC-UTKZUKDTSA-N	1	1	318.420	4.510	1	30		DJEFMO
COc1ccc(-c2ccc3c(c2)[C@H]2C[C@@H]3CC[N@H+]2CCC#N)cc1	ZINC000061942425	184197238	/nfs/dbraw/zinc/19/72/38/184197238.db2.gz	MQGFOMWJWDSZCC-LAUBAEHRSA-N	1	1	318.420	4.510	1	30		DJEFMO
COc1ccc(-c2ccc3c(c2)[C@H]2C[C@@H]3CC[N@@H+]2CCC#N)cc1	ZINC000061942425	184197239	/nfs/dbraw/zinc/19/72/39/184197239.db2.gz	MQGFOMWJWDSZCC-LAUBAEHRSA-N	1	1	318.420	4.510	1	30		DJEFMO
CC(C)[C@@H]1/C(=N/O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1	ZINC000096906538	185390721	/nfs/dbraw/zinc/39/07/21/185390721.db2.gz	HUFNNJRVQABNLK-ISGIDCGFSA-N	1	1	322.452	4.907	1	30		DJEFMO
N#Cc1ccc(-c2[nH+]c3ccccn3c2NC2CCCCC2)cc1	ZINC000072175270	191070537	/nfs/dbraw/zinc/07/05/37/191070537.db2.gz	BTSYPIWHADCMSC-UHFFFAOYSA-N	1	1	316.408	4.618	1	30		DJEFMO
C=CC[N@@H+](Cc1coc(-c2cccs2)n1)C1CCCCC1	ZINC000072183870	191072640	/nfs/dbraw/zinc/07/26/40/191072640.db2.gz	RGBPIMDMMPAGKE-UHFFFAOYSA-N	1	1	302.443	4.724	1	30		DJEFMO
CC[C@@H]1/C(=N/O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1	ZINC000096906534	185390708	/nfs/dbraw/zinc/39/07/08/185390708.db2.gz	YPFNLYQGXYPFJZ-TXRCZZGCSA-N	1	1	308.425	4.661	1	30		DJEFMO
C=CC[N@H+]1[C@@H](c2ccccc2)[C@H](C)C(=O)[C@H](C)[C@H]1c1ccccc1	ZINC000095576147	185380773	/nfs/dbraw/zinc/38/07/73/185380773.db2.gz	NIFYNYGTKVSMNZ-BTYSMDAFSA-N	1	1	319.448	4.812	1	30		DJEFMO
C=CC[N@@H+]1[C@@H](c2ccccc2)[C@H](C)C(=O)[C@H](C)[C@H]1c1ccccc1	ZINC000095576147	185380774	/nfs/dbraw/zinc/38/07/74/185380774.db2.gz	NIFYNYGTKVSMNZ-BTYSMDAFSA-N	1	1	319.448	4.812	1	30		DJEFMO
C=CC[N@H+]1[C@@H](c2ccccc2)[C@H](CC)C(=O)C[C@H]1c1ccccc1	ZINC000095576238	185380717	/nfs/dbraw/zinc/38/07/17/185380717.db2.gz	LKQCCYDUOWMKOX-URVUXULASA-N	1	1	319.448	4.956	1	30		DJEFMO
C=CC[N@@H+]1[C@@H](c2ccccc2)[C@H](CC)C(=O)C[C@H]1c1ccccc1	ZINC000095576238	185380718	/nfs/dbraw/zinc/38/07/18/185380718.db2.gz	LKQCCYDUOWMKOX-URVUXULASA-N	1	1	319.448	4.956	1	30		DJEFMO
CC[C@@H]1/C(=N/OC)C[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1	ZINC000072978494	191264394	/nfs/dbraw/zinc/26/43/94/191264394.db2.gz	BEAUKYYFWRNDKJ-CDGAWMLISA-N	1	1	322.452	4.833	1	30		DJEFMO
COc1ccc(/C(Nc2ccccc2)=[NH+]\c2ccccc2)cc1	ZINC000005853793	181290026	/nfs/dbraw/zinc/29/00/26/181290026.db2.gz	BBBLTGNLLFHNJE-UHFFFAOYSA-N	1	1	302.377	4.886	1	30		DJEFMO
C=CC[N@@H+]1[C@@H](c2ccccc2)CC(=NO)C[C@H]1c1ccccc1	ZINC000095576776	185380714	/nfs/dbraw/zinc/38/07/14/185380714.db2.gz	FTUAHRUMRWISLF-BGYRXZFFSA-N	1	1	306.409	4.581	1	30		DJEFMO
CCCCCCCCCC[N@H+]1CCc2cc(O)c(O)cc2C1	ZINC000043543945	183370044	/nfs/dbraw/zinc/37/00/44/183370044.db2.gz	KPGIJVPFAJCNNY-UHFFFAOYSA-N	1	1	305.462	4.597	1	30		DJEFMO
C=CC[N@@H+]1[C@@H](c2ccccc2)[C@H](C)/C(=N/O)C[C@H]1c1ccccc1	ZINC000095573149	185380434	/nfs/dbraw/zinc/38/04/34/185380434.db2.gz	ZPNPMEBIZSISCL-MGKCPMNASA-N	1	1	320.436	4.827	1	30		DJEFMO
C=CC[N@@H+]1[C@H](c2ccccc2)CC(=O)C(C)(C)[C@@H]1c1ccccc1	ZINC000095579527	185380674	/nfs/dbraw/zinc/38/06/74/185380674.db2.gz	NIGMYUZXIALJOI-FPOVZHCZSA-N	1	1	319.448	4.956	1	30		DJEFMO
C=CC[N@H+]1[C@H](c2ccccc2)CC(=O)C(C)(C)[C@@H]1c1ccccc1	ZINC000095579527	185380675	/nfs/dbraw/zinc/38/06/75/185380675.db2.gz	NIGMYUZXIALJOI-FPOVZHCZSA-N	1	1	319.448	4.956	1	30		DJEFMO
COc1ccc(C(Nc2ccc(O)cc2)=[NH+]c2ccccc2)cc1	ZINC000096914209	185391137	/nfs/dbraw/zinc/39/11/37/185391137.db2.gz	FJBSSSCDVZBEKT-UHFFFAOYSA-N	1	1	318.376	4.591	1	30		DJEFMO
C=CCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1	ZINC000043068052	183333966	/nfs/dbraw/zinc/33/39/66/183333966.db2.gz	BGANPLIPWUHOGW-FQEVSTJZSA-N	1	1	301.498	4.658	1	30		DJEFMO
C(#C[NH+]1CCCCC1)CN1c2ccccc2Sc2ccccc21	ZINC000040892611	183146346	/nfs/dbraw/zinc/14/63/46/183146346.db2.gz	ZVDGUUIIIXZHJX-UHFFFAOYSA-N	1	1	320.461	4.736	1	30		DJEFMO
COc1cccc(/C(Nc2ccccc2)=[NH+]/c2ccccc2)c1	ZINC000096915007	185391131	/nfs/dbraw/zinc/39/11/31/185391131.db2.gz	XLFNUJUKNHEFSS-UHFFFAOYSA-N	1	1	302.377	4.886	1	30		DJEFMO
Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C#Cc2ccccc2)[N@H+]3C)cc1	ZINC000040955214	183151483	/nfs/dbraw/zinc/15/14/83/183151483.db2.gz	XDXFJTSHBBHJKC-MYDTUXCISA-N	1	1	315.460	4.613	1	30		DJEFMO
N#Cc1cccc(-c2[nH+]c3ccccn3c2NC2CCCCC2)c1	ZINC000072179419	191071794	/nfs/dbraw/zinc/07/17/94/191071794.db2.gz	WQJSGAWMUFQMQA-UHFFFAOYSA-N	1	1	316.408	4.618	1	30		DJEFMO
CCC[N@@H+](CCc1cccs1)[C@@H]1CCC2=C(CCCC2=O)C1	ZINC000027657125	182486846	/nfs/dbraw/zinc/48/68/46/182486846.db2.gz	HATYPGSJSOTUCL-MRXNPFEDSA-N	1	1	317.498	4.605	1	30		DJEFMO