smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)c1ccc(CNc2cccc3c(=O)[n-][nH]c(=O)c23)cc1	ZINC000223814123	464146848	/nfs/dbraw/zinc/14/68/48/464146848.db2.gz	NMEAFBQIPJDIBX-UHFFFAOYSA-O	0	3	325.392	2.025	40	10		EECBHN
CCOc1cccc(C[NH2+][C@@H]2COC[C@H]2Cc2cc(C)no2)c1[O-]	ZINC000012366582	211356840	/nfs/dbraw/zinc/35/68/40/211356840.db2.gz	PHKBHMVYUZDMOM-GDBMZVCRSA-N	0	3	332.400	2.435	40	10		EECBHN
COc1ccc(CN2CCC(O)(c3cccnc3F)CC2)c(O)c1	ZINC000072339999	216158349	/nfs/dbraw/zinc/15/83/49/216158349.db2.gz	JRFOVRJJMOIUFA-UHFFFAOYSA-N	0	3	332.375	2.419	40	10		EECBHN
Cc1cc(C(=O)NCc2ccc(N3CCNCC3)c(F)c2)c(C)o1	ZINC000195542845	464072985	/nfs/dbraw/zinc/07/29/85/464072985.db2.gz	YLNXKPHLSYFDCP-UHFFFAOYSA-N	0	3	331.391	2.375	40	10		EECBHN
[O-]c1cc(O)ccc1C[N@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](O)[C@H]1CO	ZINC000585291555	469011560	/nfs/dbraw/zinc/01/15/60/469011560.db2.gz	ACQXPWGZRZJFLG-JFIYKMOQSA-N	0	3	349.814	2.072	40	10		EECBHN
[O-]c1cc(O)ccc1C[N@@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](O)[C@H]1CO	ZINC000585291555	469011567	/nfs/dbraw/zinc/01/15/67/469011567.db2.gz	ACQXPWGZRZJFLG-JFIYKMOQSA-N	0	3	349.814	2.072	40	10		EECBHN
CN(C)c1ccc([C@H]2Nc3ncnn3[C@@H](c3ccccc3)[C@H]2N)cc1	ZINC000035337505	276885145	/nfs/dbraw/zinc/88/51/45/276885145.db2.gz	WXYHLZGFKWPBNJ-KSZLIROESA-N	0	3	334.427	2.428	40	10		EECBHN
COc1cccc2c(N)c3cccc(C(=O)NCCN(C)C)c3nc12	ZINC000005845700	462671064	/nfs/dbraw/zinc/67/10/64/462671064.db2.gz	XCIIYQHJFSLOSD-UHFFFAOYSA-N	0	3	338.411	2.270	40	10		EECBHN
Cc1cccc(CC(=O)NCc2ccc(N3CCNCC3)c(F)c2)c1	ZINC000195542836	464073288	/nfs/dbraw/zinc/07/32/88/464073288.db2.gz	IFVCCBPMDGLNKS-UHFFFAOYSA-N	0	3	341.430	2.403	40	10		EECBHN
CCN1CCN(c2ccc(CNCc3c[nH]nc3C)cc2F)CC1	ZINC000078604291	217085929	/nfs/dbraw/zinc/08/59/29/217085929.db2.gz	YEJPIHDGACESBC-UHFFFAOYSA-N	0	3	331.439	2.289	40	10		EECBHN
O=C(NCc1ccc(N2CCNCC2)c(F)c1)c1ccc(Cl)o1	ZINC000195542853	464073070	/nfs/dbraw/zinc/07/30/70/464073070.db2.gz	ZNCWCBCODIDILX-UHFFFAOYSA-N	0	3	337.782	2.412	40	10		EECBHN
CN(C)CCN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S	ZINC000005235954	462651260	/nfs/dbraw/zinc/65/12/60/462651260.db2.gz	UDGUMXBASDHKRF-XFXZXTDPSA-N	0	3	332.454	2.326	40	10		EECBHN
O=C([C@H](C[NH2+]Cc1ccccc1[O-])c1ccccc1)N1CCOCC1	ZINC000078553700	217074700	/nfs/dbraw/zinc/07/47/00/217074700.db2.gz	AVCISVMWDPLMEN-GOSISDBHSA-N	0	3	340.423	2.124	40	10		EECBHN
CCN1CCCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000096404125	463237951	/nfs/dbraw/zinc/23/79/51/463237951.db2.gz	WHIUQBXCHMCRCN-GOSISDBHSA-N	0	3	349.450	2.153	40	10		EECBHN
O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@@H]1CC1(Cl)Cl	ZINC000195542842	464072925	/nfs/dbraw/zinc/07/29/25/464072925.db2.gz	WNNIUSOFBXYUMA-NSHDSACASA-N	0	3	346.233	2.045	40	10		EECBHN
CN(C)c1ccc([C@H]2Nc3ncnn3[C@@H](c3ccccc3)[C@@H]2N)cc1	ZINC000015830369	462964839	/nfs/dbraw/zinc/96/48/39/462964839.db2.gz	WXYHLZGFKWPBNJ-KURKYZTESA-N	0	3	334.427	2.428	40	10		EECBHN
O=C([C@@H](C[NH2+]Cc1ccccc1[O-])c1ccccc1)N1CCOCC1	ZINC000078553704	217074623	/nfs/dbraw/zinc/07/46/23/217074623.db2.gz	AVCISVMWDPLMEN-SFHVURJKSA-N	0	3	340.423	2.124	40	10		EECBHN
CN(C)CCN1C(=O)/C(=C\c2nc3ccccc3n2C)SC1=S	ZINC000005235984	462651503	/nfs/dbraw/zinc/65/15/03/462651503.db2.gz	QVLAYGXOIOVBPO-JLHYYAGUSA-N	0	3	346.481	2.336	40	10		EECBHN
CN(C)c1ccc([C@H]2Nc3ncnn3[C@H](c3ccccc3)[C@@H]2N)cc1	ZINC000015830373	289411785	/nfs/dbraw/zinc/41/17/85/289411785.db2.gz	WXYHLZGFKWPBNJ-KZNAEPCWSA-N	0	3	334.427	2.428	40	10		EECBHN
O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@H]1CC1(Cl)Cl	ZINC000195542843	464073602	/nfs/dbraw/zinc/07/36/02/464073602.db2.gz	WNNIUSOFBXYUMA-LLVKDONJSA-N	0	3	346.233	2.045	40	10		EECBHN
O=C1[N-]C(=S)NC(=O)C1=CNc1c2ccccc2[nH+]c2ccccc21	ZINC000006025774	284867151	/nfs/dbraw/zinc/86/71/51/284867151.db2.gz	ODNPGEAJJGJOEB-UHFFFAOYSA-N	0	3	348.387	2.215	40	10		EECBHN
CCN1CCCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000096404126	463238416	/nfs/dbraw/zinc/23/84/16/463238416.db2.gz	WHIUQBXCHMCRCN-SFHVURJKSA-N	0	3	349.450	2.153	40	10		EECBHN