smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)cc1	ZINC000035425734	204204883	/nfs/dbraw/zinc/20/48/83/204204883.db2.gz	XZOBVBRVZLABLD-IBGZPJMESA-N	2	2	397.442	3.526	40	30	biogenic,in-vitro	GHEBLP
N#Cc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)cc1	ZINC000035425734	204204888	/nfs/dbraw/zinc/20/48/88/204204888.db2.gz	XZOBVBRVZLABLD-IBGZPJMESA-N	2	2	397.442	3.526	40	30	biogenic,in-vitro	GHEBLP
CC#CC[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]([NH2+]Cc2ccccc2)[C@H]1O	ZINC000257204602	206288182	/nfs/dbraw/zinc/28/81/82/206288182.db2.gz	AVLDFNURGUAQHU-UBFVSLLYSA-N	2	2	376.544	3.974	40	30		GHEBLP
CC#CC[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]([NH2+]Cc2ccccc2)[C@H]1O	ZINC000257204602	206288184	/nfs/dbraw/zinc/28/81/84/206288184.db2.gz	AVLDFNURGUAQHU-UBFVSLLYSA-N	2	2	376.544	3.974	40	30		GHEBLP
N#Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CCOc2ccccc2)C3)c1	ZINC000096216289	208286455	/nfs/dbraw/zinc/28/64/55/208286455.db2.gz	MDKIETUKFRKCKZ-XMMPIXPASA-N	2	2	375.516	3.925	40	30		GHEBLP
N#Cc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CCOc2ccccc2)C3)c1	ZINC000096216289	208286461	/nfs/dbraw/zinc/28/64/61/208286461.db2.gz	MDKIETUKFRKCKZ-XMMPIXPASA-N	2	2	375.516	3.925	40	30		GHEBLP
N#Cc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CCOc2ccccc2)C3)c1	ZINC000096216289	208286464	/nfs/dbraw/zinc/28/64/64/208286464.db2.gz	MDKIETUKFRKCKZ-XMMPIXPASA-N	2	2	375.516	3.925	40	30		GHEBLP
N#Cc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CCOc2ccccc2)C3)c1	ZINC000096216289	208286471	/nfs/dbraw/zinc/28/64/71/208286471.db2.gz	MDKIETUKFRKCKZ-XMMPIXPASA-N	2	2	375.516	3.925	40	30		GHEBLP
N#Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CCOc2ccccc2)C3)c1	ZINC000096216285	211319800	/nfs/dbraw/zinc/31/98/00/211319800.db2.gz	MDKIETUKFRKCKZ-DEOSSOPVSA-N	2	2	375.516	3.925	40	30		GHEBLP
N#Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CCOc2ccccc2)C3)c1	ZINC000096216285	211319802	/nfs/dbraw/zinc/31/98/02/211319802.db2.gz	MDKIETUKFRKCKZ-DEOSSOPVSA-N	2	2	375.516	3.925	40	30		GHEBLP
N#Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CCOc2ccccc2)C3)c1	ZINC000096216285	211319806	/nfs/dbraw/zinc/31/98/06/211319806.db2.gz	MDKIETUKFRKCKZ-DEOSSOPVSA-N	2	2	375.516	3.925	40	30		GHEBLP
N#Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CCOc2ccccc2)C3)c1	ZINC000096216285	211319809	/nfs/dbraw/zinc/31/98/09/211319809.db2.gz	MDKIETUKFRKCKZ-DEOSSOPVSA-N	2	2	375.516	3.925	40	30		GHEBLP
Cc1cccc(C[N@H+]2CCO[C@@]3(C2)CCC[NH+](Cc2cccc(C#N)c2)CC3)n1	ZINC000306134391	212052026	/nfs/dbraw/zinc/05/20/26/212052026.db2.gz	NLRGTKGSVUSQQT-DEOSSOPVSA-N	2	2	390.531	3.519	40	30		GHEBLP
Cc1cccc(C[NH+]2CCO[C@@]3(C2)CCC[N@H+](Cc2cccc(C#N)c2)CC3)n1	ZINC000306134391	212052029	/nfs/dbraw/zinc/05/20/29/212052029.db2.gz	NLRGTKGSVUSQQT-DEOSSOPVSA-N	2	2	390.531	3.519	40	30		GHEBLP
Cc1cccc(C[NH+]2CCO[C@@]3(C2)CCC[N@@H+](Cc2cccc(C#N)c2)CC3)n1	ZINC000306134391	212052033	/nfs/dbraw/zinc/05/20/33/212052033.db2.gz	NLRGTKGSVUSQQT-DEOSSOPVSA-N	2	2	390.531	3.519	40	30		GHEBLP
Cc1cccc(C[N@@H+]2CCO[C@@]3(C2)CCC[NH+](Cc2cccc(C#N)c2)CC3)n1	ZINC000306134391	212052023	/nfs/dbraw/zinc/05/20/23/212052023.db2.gz	NLRGTKGSVUSQQT-DEOSSOPVSA-N	2	2	390.531	3.519	40	30		GHEBLP
Cc1cccc(C[N@@H+]2CCO[C@]3(C2)CCC[NH+](Cc2cccc(C#N)c2)CC3)n1	ZINC000306134392	897959853	/nfs/dbraw/zinc/95/98/53/897959853.db2.gz	NLRGTKGSVUSQQT-XMMPIXPASA-N	2	2	390.531	3.519	40	30		GHEBLP
Cc1cccc(C[N@H+]2CCO[C@]3(C2)CCC[NH+](Cc2cccc(C#N)c2)CC3)n1	ZINC000306134392	897959863	/nfs/dbraw/zinc/95/98/63/897959863.db2.gz	NLRGTKGSVUSQQT-XMMPIXPASA-N	2	2	390.531	3.519	40	30		GHEBLP
Cc1cccc(C[NH+]2CCO[C@]3(C2)CCC[N@H+](Cc2cccc(C#N)c2)CC3)n1	ZINC000306134392	897959876	/nfs/dbraw/zinc/95/98/76/897959876.db2.gz	NLRGTKGSVUSQQT-XMMPIXPASA-N	2	2	390.531	3.519	40	30		GHEBLP
Cc1cccc(C[NH+]2CCO[C@]3(C2)CCC[N@@H+](Cc2cccc(C#N)c2)CC3)n1	ZINC000306134392	897959878	/nfs/dbraw/zinc/95/98/78/897959878.db2.gz	NLRGTKGSVUSQQT-XMMPIXPASA-N	2	2	390.531	3.519	40	30		GHEBLP