smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NN=C2C(=O)C=Cc3ccccc32)c([N+](=O)[O-])c1	ZINC000003896768	181053455	/nfs/dbraw/zinc/05/34/55/181053455.db2.gz	XKCBOKJVKUTYEH-VHEBQXMUSA-N	0	1	323.308	4.878	50	10		DJCAMN
Cn1c2ccccc2[nH]c1=NN=C1C=CC(=O)c2ccccc21	ZINC000003876535	181051349	/nfs/dbraw/zinc/05/13/49/181051349.db2.gz	IBGRHQIMRFJCLE-QZQOTICOSA-N	0	1	302.337	4.848	50	10		DJCAMN
C[N@@H+](Cc1c(O)ccc2ccccc21)[C@H]1CCc2ccccc21	ZINC000023199797	563723248	/nfs/dbraw/zinc/72/32/48/563723248.db2.gz	CALKPNRSWZTFPS-FQEVSTJZSA-N	0	1	303.405	4.665	50	10		DJCAMN
COc1ccc(NN=C2C(=O)C=Cc3ccccc32)c([N+](=O)[O-])c1	ZINC000254819625	563943020	/nfs/dbraw/zinc/94/30/20/563943020.db2.gz	XKCBOKJVKUTYEH-UHFFFAOYSA-N	0	1	323.308	4.878	50	10		DJCAMN
Cc1n[nH]c(Nc2ccc(N=Nc3ccccc3)cc2)c1[N+](=O)[O-]	ZINC000009087663	563952301	/nfs/dbraw/zinc/95/23/01/563952301.db2.gz	BLNPQEBOPWZMOX-FMQUCBEESA-N	0	1	322.328	4.785	50	10		DJCAMN
[O-]c1ccc(-c2ccccn2)cc1C[NH2+]C1CCCCCCC1	ZINC000011981715	563603554	/nfs/dbraw/zinc/60/35/54/563603554.db2.gz	XBFAIRZOXORFIK-UHFFFAOYSA-N	0	1	310.441	4.657	50	10		DJCAMN
C[C@@H](N[C@@H](C)c1ccccc1Cl)c1ccc(N(C)C)cc1	ZINC000037219088	563906722	/nfs/dbraw/zinc/90/67/22/563906722.db2.gz	CONRCXRZXARQDW-KGLIPLIRSA-N	0	1	302.849	4.818	50	10		DJCAMN
[O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H](c2ccccc2)C1	ZINC000016478372	182046556	/nfs/dbraw/zinc/04/65/56/182046556.db2.gz	VCLXWKAESVOGIE-SFHVURJKSA-N	0	1	303.405	4.535	50	10		DJCAMN
[O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H](c2ccccc2)C1	ZINC000016478372	182046557	/nfs/dbraw/zinc/04/65/57/182046557.db2.gz	VCLXWKAESVOGIE-SFHVURJKSA-N	0	1	303.405	4.535	50	10		DJCAMN
[O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H](c2ccccc2)C1	ZINC000016478369	182046786	/nfs/dbraw/zinc/04/67/86/182046786.db2.gz	VCLXWKAESVOGIE-GOSISDBHSA-N	0	1	303.405	4.535	50	10		DJCAMN
[O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H](c2ccccc2)C1	ZINC000016478369	182046788	/nfs/dbraw/zinc/04/67/88/182046788.db2.gz	VCLXWKAESVOGIE-GOSISDBHSA-N	0	1	303.405	4.535	50	10		DJCAMN
Cc1ccccc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1	ZINC000013955228	563393134	/nfs/dbraw/zinc/39/31/34/563393134.db2.gz	XDSRPHDHYKUDAI-UHFFFAOYSA-N	0	1	315.376	4.913	50	10		DJCAMN
C[C@@H](N[C@H](C)c1ccccc1Cl)c1ccc(N(C)C)cc1	ZINC000037219090	563906695	/nfs/dbraw/zinc/90/66/95/563906695.db2.gz	CONRCXRZXARQDW-ZIAGYGMSSA-N	0	1	302.849	4.818	50	10		DJCAMN
C[N@@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CCc2ccccc21	ZINC000023199793	563723422	/nfs/dbraw/zinc/72/34/22/563723422.db2.gz	CALKPNRSWZTFPS-HXUWFJFHSA-N	0	1	303.405	4.665	50	10		DJCAMN
C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1Cl	ZINC000037219089	563906679	/nfs/dbraw/zinc/90/66/79/563906679.db2.gz	CONRCXRZXARQDW-UONOGXRCSA-N	0	1	302.849	4.818	50	10		DJCAMN
Oc1c(Cl)cc(Cl)cc1CNc1cnc2ccccc2c1	ZINC000000464739	332853289	/nfs/dbraw/zinc/85/32/89/332853289.db2.gz	BWYZLKHXRFEGHC-UHFFFAOYSA-N	0	1	319.191	4.859	50	10		DJCAMN
c1ccc(-c2nc(CN3CCCCC3)[nH]c2-c2ccccc2)cc1	ZINC000005532114	181254437	/nfs/dbraw/zinc/25/44/37/181254437.db2.gz	NZDWIBGZTQGVON-UHFFFAOYSA-N	0	1	317.436	4.730	50	10		DJCAMN
Oc1c(Cl)cc(Cl)cc1CNc1ccc(F)c(F)c1	ZINC000000280557	563629317	/nfs/dbraw/zinc/62/93/17/563629317.db2.gz	QPTZVPUIHBBZNP-UHFFFAOYSA-N	0	1	304.123	4.589	50	10		DJCAMN
C[C@H](N[C@@H](C)c1ccccc1Cl)c1ccc(N(C)C)cc1	ZINC000037219087	563906638	/nfs/dbraw/zinc/90/66/38/563906638.db2.gz	CONRCXRZXARQDW-KBPBESRZSA-N	0	1	302.849	4.818	50	10		DJCAMN
[O-]c1c([C@@H](c2cccs2)[NH+]2CCCCC2)ccc2cccnc21	ZINC000020507273	182225824	/nfs/dbraw/zinc/22/58/24/182225824.db2.gz	SEQAWAGFJKHOJR-SFHVURJKSA-N	0	1	324.449	4.577	50	10		DJCAMN
[O-]c1c([C@H](c2cccs2)[NH+]2CCCCC2)ccc2cccnc21	ZINC000020507271	182226110	/nfs/dbraw/zinc/22/61/10/182226110.db2.gz	SEQAWAGFJKHOJR-GOSISDBHSA-N	0	1	324.449	4.577	50	10		DJCAMN
Oc1c(Cl)cc(Cl)cc1CNc1cccc2cccnc21	ZINC000000464199	563617824	/nfs/dbraw/zinc/61/78/24/563617824.db2.gz	HIIQBCNXDVRXTR-UHFFFAOYSA-N	0	1	319.191	4.859	50	10		DJCAMN
CC[N@H+]1CCC(=C2c3ccccc3CCc3ccccc32)[C@@H]1C	ZINC000002020004	563297439	/nfs/dbraw/zinc/29/74/39/563297439.db2.gz	NKJQZSDCCLDOQH-INIZCTEOSA-N	0	1	303.449	4.701	50	10	in-man	DJCAMN