smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC(Oc2ccnc(N(C[C@@H]3CCC[C@@]4(CC[NH2+]C4)O3)S(=O)(=O)C3CC3)c2)CC1	ZINC001164949514	721991425	/nfs/dbraw/zinc/99/14/25/721991425.db2.gz	GWKSXBMGOWHJQH-REWPJTCUSA-N	1	3	464.632	2.154	20	0		JEADHO
CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1CN1CC[C@H](CO)C1	ZINC001164967233	722074329	/nfs/dbraw/zinc/07/43/29/722074329.db2.gz	PCOHRTPJTNQKDU-PCCBWWKXSA-N	1	3	471.646	2.180	20	0		JEADHO
CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1CN1CC[C@H](CO)C1	ZINC001164967233	722074330	/nfs/dbraw/zinc/07/43/30/722074330.db2.gz	PCOHRTPJTNQKDU-PCCBWWKXSA-N	1	3	471.646	2.180	20	0		JEADHO
O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCN4CC[NH2+]C[C@H]4C3)c21	ZINC001164407330	718838184	/nfs/dbraw/zinc/83/81/84/718838184.db2.gz	VCZGUQVKLKGGHL-IBGZPJMESA-N	1	3	468.001	2.491	20	0		JEADHO
O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@H]4C[NH2+]C[C@]4(CO)C3)c21	ZINC001164402584	718852875	/nfs/dbraw/zinc/85/28/75/718852875.db2.gz	GKNQNRVLOFDKSG-HOYKHHGWSA-N	1	3	468.985	2.415	20	0		JEADHO
C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@H](CO)C1	ZINC001164926912	721873927	/nfs/dbraw/zinc/87/39/27/721873927.db2.gz	SPVOBBWADUGVAK-WWPVKYPJSA-N	1	3	472.678	2.095	20	0		JEADHO
CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@H](CO)C1	ZINC001164926912	721873930	/nfs/dbraw/zinc/87/39/30/721873930.db2.gz	SPVOBBWADUGVAK-WWPVKYPJSA-N	1	3	472.678	2.095	20	0		JEADHO
CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@H](CO)C1	ZINC001164926912	721873931	/nfs/dbraw/zinc/87/39/31/721873931.db2.gz	SPVOBBWADUGVAK-WWPVKYPJSA-N	1	3	472.678	2.095	20	0		JEADHO
CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1CN1CC[C@@H](CO)C1	ZINC001164967232	722074137	/nfs/dbraw/zinc/07/41/37/722074137.db2.gz	PCOHRTPJTNQKDU-NJYVYQBISA-N	1	3	471.646	2.180	20	0		JEADHO
CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1CN1CC[C@@H](CO)C1	ZINC001164967232	722074139	/nfs/dbraw/zinc/07/41/39/722074139.db2.gz	PCOHRTPJTNQKDU-NJYVYQBISA-N	1	3	471.646	2.180	20	0		JEADHO
O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCN4CC[NH2+]C[C@@H]4C3)c21	ZINC001164407332	718838302	/nfs/dbraw/zinc/83/83/02/718838302.db2.gz	VCZGUQVKLKGGHL-LJQANCHMSA-N	1	3	468.001	2.491	20	0		JEADHO
CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)c1ccc2c(n1)CCN(Cc1ccccc1)C2	ZINC001164655554	719327158	/nfs/dbraw/zinc/32/71/58/719327158.db2.gz	QOAALEWYYQSIPY-UHFFFAOYSA-N	1	3	453.568	2.240	20	0		JEADHO
C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@@H](CO)C1	ZINC001164926908	721874076	/nfs/dbraw/zinc/87/40/76/721874076.db2.gz	SPVOBBWADUGVAK-UEVCKROQSA-N	1	3	472.678	2.095	20	0		JEADHO
CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@@H](CO)C1	ZINC001164926908	721874077	/nfs/dbraw/zinc/87/40/77/721874077.db2.gz	SPVOBBWADUGVAK-UEVCKROQSA-N	1	3	472.678	2.095	20	0		JEADHO
CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@@H](CO)C1	ZINC001164926908	721874081	/nfs/dbraw/zinc/87/40/81/721874081.db2.gz	SPVOBBWADUGVAK-UEVCKROQSA-N	1	3	472.678	2.095	20	0		JEADHO
O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC(=O)NC4(CC[NH2+]CC4)C3)c21	ZINC001164394170	718809566	/nfs/dbraw/zinc/80/95/66/718809566.db2.gz	ZKZJXODNZHDDFH-UHFFFAOYSA-N	1	3	496.011	2.455	20	0		JEADHO
O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)c21	ZINC001164402585	718852702	/nfs/dbraw/zinc/85/27/02/718852702.db2.gz	GKNQNRVLOFDKSG-KOSHJBKYSA-N	1	3	468.985	2.415	20	0		JEADHO
CN1CCC(Oc2ccnc(N(C[C@H]3CCC[C@@]4(CC[NH2+]C4)O3)S(=O)(=O)C3CC3)c2)CC1	ZINC001164949513	721991442	/nfs/dbraw/zinc/99/14/42/721991442.db2.gz	GWKSXBMGOWHJQH-OFNKIYASSA-N	1	3	464.632	2.154	20	0		JEADHO
O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@@H]4C[NH2+]C[C@]4(CO)C3)c21	ZINC001164402586	718852610	/nfs/dbraw/zinc/85/26/10/718852610.db2.gz	GKNQNRVLOFDKSG-MHECFPHRSA-N	1	3	468.985	2.415	20	0		JEADHO
O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@@H]4C[NH2+]C[C@@]4(CO)C3)c21	ZINC001164402587	718852794	/nfs/dbraw/zinc/85/27/94/718852794.db2.gz	GKNQNRVLOFDKSG-UUOWRZLLSA-N	1	3	468.985	2.415	20	0		JEADHO
C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@@H](CO)C1	ZINC001164926910	721873870	/nfs/dbraw/zinc/87/38/70/721873870.db2.gz	SPVOBBWADUGVAK-WTIAFYNJSA-N	1	3	472.678	2.095	20	0		JEADHO
CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@@H](CO)C1	ZINC001164926910	721873873	/nfs/dbraw/zinc/87/38/73/721873873.db2.gz	SPVOBBWADUGVAK-WTIAFYNJSA-N	1	3	472.678	2.095	20	0		JEADHO
CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@@H](CO)C1	ZINC001164926910	721873875	/nfs/dbraw/zinc/87/38/75/721873875.db2.gz	SPVOBBWADUGVAK-WTIAFYNJSA-N	1	3	472.678	2.095	20	0		JEADHO
CN1CCC(Oc2ccnc(N(C[C@H]3CCC[C@]4(CC[NH2+]C4)O3)S(=O)(=O)C3CC3)c2)CC1	ZINC001164949510	721991569	/nfs/dbraw/zinc/99/15/69/721991569.db2.gz	GWKSXBMGOWHJQH-NFBKMPQASA-N	1	3	464.632	2.154	20	0		JEADHO
Cc1nc(CN2CCN(C)C3(CCN(c4cccc(N5CCC([NH3+])CC5)n4)CC3)C2=O)cs1	ZINC001164821179	720376770	/nfs/dbraw/zinc/37/67/70/720376770.db2.gz	ZORUZBMHVXHBAN-UHFFFAOYSA-N	1	3	469.659	2.087	20	0		JEADHO
C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@H](CO)C1	ZINC001164926904	721873794	/nfs/dbraw/zinc/87/37/94/721873794.db2.gz	SPVOBBWADUGVAK-AJSBUHFISA-N	1	3	472.678	2.095	20	0		JEADHO
CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@H](CO)C1	ZINC001164926904	721873797	/nfs/dbraw/zinc/87/37/97/721873797.db2.gz	SPVOBBWADUGVAK-AJSBUHFISA-N	1	3	472.678	2.095	20	0		JEADHO
CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@H](CO)C1	ZINC001164926904	721873798	/nfs/dbraw/zinc/87/37/98/721873798.db2.gz	SPVOBBWADUGVAK-AJSBUHFISA-N	1	3	472.678	2.095	20	0		JEADHO
CN1CCC(Oc2ccnc(N(C[C@@H]3CCC[C@]4(CC[NH2+]C4)O3)S(=O)(=O)C3CC3)c2)CC1	ZINC001164949512	721991251	/nfs/dbraw/zinc/99/12/51/721991251.db2.gz	GWKSXBMGOWHJQH-NZQKXSOJSA-N	1	3	464.632	2.154	20	0		JEADHO