smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)c1ccc(CN3CC[NH+](C)CC3)cc1)C2	ZINC000218705641	537464862	/nfs/dbraw/zinc/46/48/62/537464862.db2.gz	HXRJFWNPNKGEIJ-AERCQKQUSA-N	2	0	370.541	1.846	50	70		FDIARP
CN(CC(=O)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1)Cc1ccccc1F	ZINC000216756401	568137945	/nfs/dbraw/zinc/13/79/45/568137945.db2.gz	ZGYUDOFUWWSVOM-GOSISDBHSA-N	2	0	363.477	1.705	50	70		FDIARP
C[NH+]1CCN([C@H]2CCN(C(=O)CCC[NH+]3Cc4ccccc4C3)C2)CC1	ZINC000217188985	523921112	/nfs/dbraw/zinc/92/11/12/523921112.db2.gz	BFSZVOGZHOVOPM-FQEVSTJZSA-N	2	0	356.514	1.631	50	70		FDIARP
C[NH+](C)C[C@@]1(O)CCCN(C(=O)C[NH+]2CCC(c3ccccc3)CC2)C1	ZINC000217552005	537454771	/nfs/dbraw/zinc/45/47/71/537454771.db2.gz	JKFHHXSYYQIWFT-NRFANRHFSA-N	2	0	359.514	1.781	50	70		FDIARP
Cc1cc(C)c(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc1CN1CC[NH+](C)CC1	ZINC000217215858	524262630	/nfs/dbraw/zinc/26/26/30/524262630.db2.gz	HWOVIAQZPNMMPX-WIYYLYMNSA-N	2	0	361.530	1.226	50	70		FDIARP
C[NH+](C)C[C@]1(O)CCCN(C(=O)C[NH+]2CCC(c3ccccc3)CC2)C1	ZINC000217552082	206363654	/nfs/dbraw/zinc/36/36/54/206363654.db2.gz	JKFHHXSYYQIWFT-OAQYLSRUSA-N	2	0	359.514	1.781	50	70		FDIARP
Cc1c[nH+]ccc1N1CCCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1	ZINC000218419022	537463938	/nfs/dbraw/zinc/46/39/38/537463938.db2.gz	BGSWDZZFEHHHQO-UHFFFAOYSA-N	2	0	353.474	1.684	50	70		FDIARP
C[NH+]1CCN([C@@H]2CCN(C(=O)CCC[NH+]3Cc4ccccc4C3)C2)CC1	ZINC000217188978	523918493	/nfs/dbraw/zinc/91/84/93/523918493.db2.gz	BFSZVOGZHOVOPM-HXUWFJFHSA-N	2	0	356.514	1.631	50	70		FDIARP
CN(C)C(=O)CO[C@@H]1COCC[C@H]1[NH2+]C1CCC2(CC[NH2+]CC2)CC1	ZINC000218280944	222680155	/nfs/dbraw/zinc/68/01/55/222680155.db2.gz	MKXBVEDWKFBCNX-IAGOWNOFSA-N	2	0	353.507	1.151	50	70		FDIARP
C[NH+]1CCN(CCOc2ccccc2C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)CC1	ZINC000217216308	523905855	/nfs/dbraw/zinc/90/58/55/523905855.db2.gz	NGUSKQKHBOCQJD-KXTWHKPSSA-N	2	0	359.514	1.516	50	70		FDIARP
C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)C[C@H]12	ZINC000218289203	521853736	/nfs/dbraw/zinc/85/37/36/521853736.db2.gz	NDNQAWYFCCXUOL-OWZKRDHZSA-N	2	0	356.514	1.314	50	70		FDIARP
O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1)c1ccc(C[NH+]2CCCC2)o1	ZINC000218703330	537465682	/nfs/dbraw/zinc/46/56/82/537465682.db2.gz	YLAKEIYSRDYGLW-QXCFHYIPSA-N	2	0	359.470	1.857	50	70		FDIARP
CN1CC[NH+](C2(CNc3cc(C4CC([NH3+])C4)nc(N)n3)CCCC2)CC1	ZINC000218564596	523889419	/nfs/dbraw/zinc/88/94/19/523889419.db2.gz	XHXQJABRMQEXHY-UHFFFAOYSA-N	2	0	359.522	1.236	50	70		FDIARP