smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1cc(-c2nc(CN3CCC(c4c[nH]c5ncccc45)CC3)no2)cs1	ZINC000160886281	567827734	/nfs/dbraw/zinc/82/77/34/567827734.db2.gz	IAKOJCDIAWKYAE-UHFFFAOYSA-N	1	0	365.462	4.054	20	70		FIIDRO
c1ccc2oc(C3CC[NH+](Cc4ccc(N5CCCC5)nc4)CC3)nc2c1	ZINC000161055215	567852958	/nfs/dbraw/zinc/85/29/58/567852958.db2.gz	TVVLGPBUKHUAQR-UHFFFAOYSA-N	1	0	362.477	4.203	20	70		FIIDRO
O=C(NCc1ccccc1-c1ccc(Cl)cc1)[C@H]1CCn2ccnc2C1	ZINC000161157524	567882878	/nfs/dbraw/zinc/88/28/78/567882878.db2.gz	MBPUGWXOKYLGOY-INIZCTEOSA-N	1	0	365.864	4.082	20	70		FIIDRO
Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)o2)cc1C	ZINC000160940503	567837448	/nfs/dbraw/zinc/83/74/48/567837448.db2.gz	BMNZRUWHKKOUJI-WBVHZDCISA-N	1	0	351.454	4.017	20	70		FIIDRO
O=C(NCc1ccccc1-c1ccc(Cl)cc1)[C@@H]1CCn2ccnc2C1	ZINC000161157410	567882888	/nfs/dbraw/zinc/88/28/88/567882888.db2.gz	MBPUGWXOKYLGOY-MRXNPFEDSA-N	1	0	365.864	4.082	20	70		FIIDRO
C[C@H](CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cccc(C(F)(F)F)c1	ZINC000159393365	568242767	/nfs/dbraw/zinc/24/27/67/568242767.db2.gz	DRZYHXMPOOHNBF-QAPCUYQASA-N	1	0	368.443	4.286	20	70		FIIDRO
Cc1ccc([C@@H](C)NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000160666466	568248171	/nfs/dbraw/zinc/24/81/71/568248171.db2.gz	YEKOHVICWBPNMT-GOSISDBHSA-N	1	0	366.509	4.009	20	70		FIIDRO
Cc1ccc([C@H](C)NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000160666603	568290655	/nfs/dbraw/zinc/29/06/55/568290655.db2.gz	YEKOHVICWBPNMT-SFHVURJKSA-N	1	0	366.509	4.009	20	70		FIIDRO
C[C@@H](CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cccc(C(F)(F)F)c1	ZINC000159393252	568242647	/nfs/dbraw/zinc/24/26/47/568242647.db2.gz	DRZYHXMPOOHNBF-YJBOKZPZSA-N	1	0	368.443	4.286	20	70		FIIDRO
Cc1nc(-c2cccs2)ccc1C(=O)NCc1ccc(C[NH+](C)C)cc1	ZINC000216877705	568149369	/nfs/dbraw/zinc/14/93/69/568149369.db2.gz	FJIREIZOWORISK-UHFFFAOYSA-N	1	0	365.502	4.110	20	70		FIIDRO
Cn1cc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)c(-c2cccnc2)n1	ZINC000161053714	567852649	/nfs/dbraw/zinc/85/26/49/567852649.db2.gz	JSEPOXSXIZHHKI-UHFFFAOYSA-N	1	0	373.460	4.003	20	70		FIIDRO
C[C@H](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cccc(C(F)(F)F)c1	ZINC000159393674	568242850	/nfs/dbraw/zinc/24/28/50/568242850.db2.gz	DRZYHXMPOOHNBF-CRAIPNDOSA-N	1	0	368.443	4.286	20	70		FIIDRO
Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)o2)cc1C	ZINC000160940639	567837506	/nfs/dbraw/zinc/83/75/06/567837506.db2.gz	BMNZRUWHKKOUJI-RDJZCZTQSA-N	1	0	351.454	4.017	20	70		FIIDRO
C[C@@H](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cccc(C(F)(F)F)c1	ZINC000159393478	568242860	/nfs/dbraw/zinc/24/28/60/568242860.db2.gz	DRZYHXMPOOHNBF-MAUKXSAKSA-N	1	0	368.443	4.286	20	70		FIIDRO