smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Clc1cccc2c1[C@H](C=N[NH+]=C1NCCN1)c1ccccc1[C@H]2CN=NC1=[NH+]CCN1	ZINC000027560754	563044225	/nfs/dbraw/zinc/04/42/25/563044225.db2.gz	XBOZQRXYZMKENE-PBJCFXAKSA-N	2	2	434.935	1.986	1	30		IDEFLP
Clc1cccc2c1[C@H](CN=NC1=[NH+]CCN1)c1ccccc1[C@H]2CN=NC1=[NH+]CCN1	ZINC000027560754	563044227	/nfs/dbraw/zinc/04/42/27/563044227.db2.gz	XBOZQRXYZMKENE-PBJCFXAKSA-N	2	2	434.935	1.986	1	30		IDEFLP
Cc1cc2c(cc1C)[C@@H](CN=NC1=[NH+]CCN1)c1ccccc1[C@H]2CN=NC1=[NH+]CCN1	ZINC000027563426	563044411	/nfs/dbraw/zinc/04/44/11/563044411.db2.gz	SALIGDPRYOZTLK-ZCMAYGHJSA-N	2	2	428.544	1.950	1	30		IDEFLP
C(=NNC1=[NH+]CCCN1)c1ccc(-c2cn3cc(C=NNC4=[NH+]CCCN4)ccc3n2)cc1	ZINC000027435616	563042351	/nfs/dbraw/zinc/04/23/51/563042351.db2.gz	MJQOADGXZXEZLD-JOFLXYQRSA-N	2	2	442.531	1.547	1	30		IDEFLP
Clc1ccc2c(c1)[C@H](CN=NC1=[NH+]CCN1)c1ccccc1[C@H]2CN=NC1=[NH+]CCN1	ZINC000027560811	563044271	/nfs/dbraw/zinc/04/42/71/563044271.db2.gz	RUXCRJWTFJQHEP-AKVSGKDWSA-N	2	2	434.935	1.986	1	30		IDEFLP
Clc1ccc2c(c1)[C@H](C=N[NH+]=C1NCCN1)c1ccccc1[C@H]2CN=NC1=[NH+]CCN1	ZINC000027560811	563044272	/nfs/dbraw/zinc/04/42/72/563044272.db2.gz	RUXCRJWTFJQHEP-AKVSGKDWSA-N	2	2	434.935	1.986	1	30		IDEFLP
COc1ncccc1C(=O)N1CC[C@@H]([NH2+]Cc2c[nH+]cn2Cc2ccc(C#N)cc2)C1=O	ZINC000040410475	563101742	/nfs/dbraw/zinc/10/17/42/563101742.db2.gz	WSZPVEPHZIBFKY-HXUWFJFHSA-N	2	2	430.468	1.738	1	30		IDEFLP
C(=NNC1=[NH+]CCCN1)c1ccc(-c2cn3cc(C=NNC4=[NH+]CCCN4)ccc3n2)cc1	ZINC000005843763	562945106	/nfs/dbraw/zinc/94/51/06/562945106.db2.gz	MJQOADGXZXEZLD-UHFFFAOYSA-N	2	2	442.531	1.547	1	30		IDEFLP
Clc1cccc2c1[C@@H](C=N[NH+]=C1NCCN1)c1ccccc1[C@@H]2CN=NC1=[NH+]CCN1	ZINC000027560756	563044247	/nfs/dbraw/zinc/04/42/47/563044247.db2.gz	XBOZQRXYZMKENE-BIJWXANBSA-N	2	2	434.935	1.986	1	30		IDEFLP
Clc1cccc2c1[C@@H](CN=NC1=[NH+]CCN1)c1ccccc1[C@@H]2CN=NC1=[NH+]CCN1	ZINC000027560756	563044249	/nfs/dbraw/zinc/04/42/49/563044249.db2.gz	XBOZQRXYZMKENE-BIJWXANBSA-N	2	2	434.935	1.986	1	30		IDEFLP
Clc1cccc2c1[C@H](C=N[NH+]=C1NCCN1)c1ccccc1[C@@H]2CN=NC1=[NH+]CCN1	ZINC000027560752	563044202	/nfs/dbraw/zinc/04/42/02/563044202.db2.gz	XBOZQRXYZMKENE-VMMBTDFBSA-N	2	2	434.935	1.986	1	30		IDEFLP
Clc1cccc2c1[C@H](CN=NC1=[NH+]CCN1)c1ccccc1[C@@H]2CN=NC1=[NH+]CCN1	ZINC000027560752	563044203	/nfs/dbraw/zinc/04/42/03/563044203.db2.gz	XBOZQRXYZMKENE-VMMBTDFBSA-N	2	2	434.935	1.986	1	30		IDEFLP
Cc1cc2c(cc1C)[C@@H](CN=NC1=[NH+]CCN1)c1ccccc1[C@@H]2CN=NC1=[NH+]CCN1	ZINC000027563431	563044383	/nfs/dbraw/zinc/04/43/83/563044383.db2.gz	SALIGDPRYOZTLK-SITJKCRGSA-N	2	2	428.544	1.950	1	30		IDEFLP
CC1(CN=NC2=[NH+]CCN2)c2ccccc2C(C)(CN=NC2=[NH+]CCN2)c2ccccc21	ZINC000027559944	563044085	/nfs/dbraw/zinc/04/40/85/563044085.db2.gz	ZYGUBTUHZPUKMC-CMNXJCJSSA-N	2	2	428.544	1.681	1	30		IDEFLP
Clc1ccc2c(c1)[C@@H](CN=NC1=[NH+]CCN1)c1ccccc1[C@H]2CN=NC1=[NH+]CCN1	ZINC000027560815	563044216	/nfs/dbraw/zinc/04/42/16/563044216.db2.gz	RUXCRJWTFJQHEP-YNRWJFMFSA-N	2	2	434.935	1.986	1	30		IDEFLP
Clc1ccc2c(c1)[C@@H](C=N[NH+]=C1NCCN1)c1ccccc1[C@H]2CN=NC1=[NH+]CCN1	ZINC000027560815	563044217	/nfs/dbraw/zinc/04/42/17/563044217.db2.gz	RUXCRJWTFJQHEP-YNRWJFMFSA-N	2	2	434.935	1.986	1	30		IDEFLP
Clc1cccc2c1[C@@H](C=N[NH+]=C1NCCN1)c1ccccc1[C@H]2CN=NC1=[NH+]CCN1	ZINC000027560758	563044242	/nfs/dbraw/zinc/04/42/42/563044242.db2.gz	XBOZQRXYZMKENE-XROIKZOMSA-N	2	2	434.935	1.986	1	30		IDEFLP
Clc1cccc2c1[C@@H](CN=NC1=[NH+]CCN1)c1ccccc1[C@H]2CN=NC1=[NH+]CCN1	ZINC000027560758	563044244	/nfs/dbraw/zinc/04/42/44/563044244.db2.gz	XBOZQRXYZMKENE-XROIKZOMSA-N	2	2	434.935	1.986	1	30		IDEFLP
Clc1ccc2c(c1)[C@H](CN=NC1=[NH+]CCN1)c1ccccc1[C@@H]2CN=NC1=[NH+]CCN1	ZINC000027560809	563044256	/nfs/dbraw/zinc/04/42/56/563044256.db2.gz	RUXCRJWTFJQHEP-WIMFGHQTSA-N	2	2	434.935	1.986	1	30		IDEFLP
Clc1ccc2c(c1)[C@H](C=N[NH+]=C1NCCN1)c1ccccc1[C@@H]2CN=NC1=[NH+]CCN1	ZINC000027560809	563044258	/nfs/dbraw/zinc/04/42/58/563044258.db2.gz	RUXCRJWTFJQHEP-WIMFGHQTSA-N	2	2	434.935	1.986	1	30		IDEFLP
Cc1cc2c(cc1C)[C@H](CN=NC1=[NH+]CCN1)c1ccccc1[C@H]2CN=NC1=[NH+]CCN1	ZINC000027563429	563044428	/nfs/dbraw/zinc/04/44/28/563044428.db2.gz	SALIGDPRYOZTLK-YZVKGQNQSA-N	2	2	428.544	1.950	1	30		IDEFLP
COc1ncccc1C(=O)N1CC[C@H]([NH2+]Cc2c[nH+]cn2Cc2ccc(C#N)cc2)C1=O	ZINC000040410471	563101679	/nfs/dbraw/zinc/10/16/79/563101679.db2.gz	WSZPVEPHZIBFKY-FQEVSTJZSA-N	2	2	430.468	1.738	1	30		IDEFLP
Clc1ccc2c(c1)[C@@H](CN=NC1=[NH+]CCN1)c1ccccc1[C@@H]2CN=NC1=[NH+]CCN1	ZINC000027560813	563044237	/nfs/dbraw/zinc/04/42/37/563044237.db2.gz	RUXCRJWTFJQHEP-DHQHGXEFSA-N	2	2	434.935	1.986	1	30		IDEFLP
Clc1ccc2c(c1)[C@@H](C=N[NH+]=C1NCCN1)c1ccccc1[C@@H]2CN=NC1=[NH+]CCN1	ZINC000027560813	563044239	/nfs/dbraw/zinc/04/42/39/563044239.db2.gz	RUXCRJWTFJQHEP-DHQHGXEFSA-N	2	2	434.935	1.986	1	30		IDEFLP