smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC([N@@H+]2CCN(Cc3ccc(C#CC(C)(C)O)cc3)C[C@@H]2CCO)CC1	ZINC000019788955	523770118	/nfs/dbraw/zinc/77/01/18/523770118.db2.gz	PQVLKVGSMMPQRE-QHCPKHFHSA-N	1	3	399.579	1.772	50	30		GDEAHO
CN1CCC([N@H+]2CCN(Cc3ccc(C#CC(C)(C)O)cc3)C[C@@H]2CCO)CC1	ZINC000019788955	523770122	/nfs/dbraw/zinc/77/01/22/523770122.db2.gz	PQVLKVGSMMPQRE-QHCPKHFHSA-N	1	3	399.579	1.772	50	30		GDEAHO
CN1CCC([N@@H+]2CCN(Cc3ccc(C#CC(C)(C)O)cc3)C[C@H]2CCO)CC1	ZINC000039478283	570900754	/nfs/dbraw/zinc/90/07/54/570900754.db2.gz	PQVLKVGSMMPQRE-HSZRJFAPSA-N	1	3	399.579	1.772	50	30		GDEAHO
CN1CCC([N@H+]2CCN(Cc3ccc(C#CC(C)(C)O)cc3)C[C@H]2CCO)CC1	ZINC000039478283	570900757	/nfs/dbraw/zinc/90/07/57/570900757.db2.gz	PQVLKVGSMMPQRE-HSZRJFAPSA-N	1	3	399.579	1.772	50	30		GDEAHO
COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CN2CC(=O)[O+]=N2)C1	ZINC000023338639	570355275	/nfs/dbraw/zinc/35/52/75/570355275.db2.gz	WCXKLKLOMLWNAP-INIZCTEOSA-O	1	3	389.476	1.089	50	30		GDEAHO
O=C(CN1CC(=O)[O+]=N1)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2	ZINC000014971011	527194242	/nfs/dbraw/zinc/19/42/42/527194242.db2.gz	ZBWSQMHRIDJFAK-IBGZPJMESA-O	1	3	375.424	1.322	50	30		GDEAHO
COc1ccccc1CCN1CCC(CN(C)C(=O)CN2CC(=O)[O+]=N2)CC1	ZINC000015063569	570875077	/nfs/dbraw/zinc/87/50/77/570875077.db2.gz	NNRDENVBJZCQOP-UHFFFAOYSA-O	1	3	389.476	1.089	50	30		GDEAHO
CN1CC[NH+]([C@@H]2CCN(Cc3ccc(C#Cc4cncnc4)cc3)C[C@H]2O)CC1	ZINC000022851197	523917829	/nfs/dbraw/zinc/91/78/29/523917829.db2.gz	BMPFLMYEMZGSAT-DHIUTWEWSA-N	1	3	391.519	1.059	50	30		GDEAHO
CN1CCN([C@@H]2CC[N@H+](Cc3ccc(C#Cc4cncnc4)cc3)C[C@H]2O)CC1	ZINC000022851197	523917831	/nfs/dbraw/zinc/91/78/31/523917831.db2.gz	BMPFLMYEMZGSAT-DHIUTWEWSA-N	1	3	391.519	1.059	50	30		GDEAHO
CN1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#Cc4cncnc4)cc3)C[C@H]2O)CC1	ZINC000022851197	523917835	/nfs/dbraw/zinc/91/78/35/523917835.db2.gz	BMPFLMYEMZGSAT-DHIUTWEWSA-N	1	3	391.519	1.059	50	30		GDEAHO
C=CCC[C@@H](CN(C)C1CC[NH+](C)CC1)Oc1cncc(C(=O)N(C)C)n1	ZINC000067868367	518710147	/nfs/dbraw/zinc/71/01/47/518710147.db2.gz	ZNCVKBSUZPCHST-KRWDZBQOSA-N	1	3	375.517	1.918	50	30		GDEAHO
CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)CN1CC(=O)[O+]=N1	ZINC000020996049	522660204	/nfs/dbraw/zinc/66/02/04/522660204.db2.gz	LFUIBCOKVIAKJR-UHFFFAOYSA-O	1	3	377.440	1.220	50	30		GDEAHO
O=C(CN1CC(=O)[O+]=N1)N1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2	ZINC000014971008	527193714	/nfs/dbraw/zinc/19/37/14/527193714.db2.gz	ZBWSQMHRIDJFAK-LJQANCHMSA-O	1	3	375.424	1.322	50	30		GDEAHO
COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CN2CC(=O)[O+]=N2)C1	ZINC000023338640	570355283	/nfs/dbraw/zinc/35/52/83/570355283.db2.gz	WCXKLKLOMLWNAP-MRXNPFEDSA-O	1	3	389.476	1.089	50	30		GDEAHO
C#CC1(OC(=O)CCCCC(=O)OC2(C#C)CC[NH+](C)CC2)CCN(C)CC1	ZINC000005510071	518239069	/nfs/dbraw/zinc/23/90/69/518239069.db2.gz	YLCFEDSNNVINFV-UHFFFAOYSA-N	1	3	388.508	1.828	50	30		GDEAHO
C=CCC[C@H](CN(C)C1CC[NH+](C)CC1)Oc1cncc(C(=O)N(C)C)n1	ZINC000067868366	518720673	/nfs/dbraw/zinc/72/06/73/518720673.db2.gz	ZNCVKBSUZPCHST-QGZVFWFLSA-N	1	3	375.517	1.918	50	30		GDEAHO