smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@]1(c2ccc(N[C@@H](C)c3ccc(F)c(F)c3O)cc2)CCC(=O)NC1=O	ZINC000187886993	883811542	/nfs/dbraw/zinc/81/15/42/883811542.db2.gz	SHVVCYVGRAJGBT-LAJNKCICSA-N	0	1	388.414	3.928	10	10		GHCEMN
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C	ZINC000116569927	886368323	/nfs/dbraw/zinc/36/83/23/886368323.db2.gz	GVVSAQQICRIYRE-GHTZIAJQSA-N	0	1	396.535	3.619	10	10		GHCEMN
CC[C@]1(c2ccc(N[C@H](C)c3ccc(F)c(F)c3O)cc2)CCC(=O)NC1=O	ZINC000187887051	883811423	/nfs/dbraw/zinc/81/14/23/883811423.db2.gz	SHVVCYVGRAJGBT-XUSGNXJCSA-N	0	1	388.414	3.928	10	10		GHCEMN
Cc1nc([C@@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c2ccccc2)n[nH]1	ZINC000162644556	843291793	/nfs/dbraw/zinc/29/17/93/843291793.db2.gz	OJBHFKBJQPECME-VFNWGFHPSA-N	0	1	395.482	3.529	10	10		GHCEMN
CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C	ZINC000246896388	891322802	/nfs/dbraw/zinc/32/28/02/891322802.db2.gz	GVVSAQQICRIYRE-WIYYLYMNSA-N	0	1	396.535	3.619	10	10		GHCEMN
COc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc4ccccc34)C2=O)cc1	ZINC000006008972	204160971	/nfs/dbraw/zinc/16/09/71/204160971.db2.gz	CEACBNGIRLZOIZ-MOSHPQCFSA-N	0	1	386.407	3.510	10	10		GHCEMN
CC[C@@]1(c2ccc(N[C@@H](C)c3ccc(F)c(F)c3O)cc2)CCC(=O)NC1=O	ZINC000187887024	883811124	/nfs/dbraw/zinc/81/11/24/883811124.db2.gz	SHVVCYVGRAJGBT-QKVFXAPYSA-N	0	1	388.414	3.928	10	10		GHCEMN
COc1ccc(N2CCCN(C(=O)CCc3nc4cccc(C)c4[nH]3)CC2)cc1	ZINC000175714669	882577632	/nfs/dbraw/zinc/57/76/32/882577632.db2.gz	PMYKLELRCYLMTK-UHFFFAOYSA-N	0	1	392.503	3.551	10	10		GHCEMN
O=C([O-])CC[N@H+](Cc1ccccc1)Cc1cc(Br)cc(F)c1O	ZINC000715790067	977785681	/nfs/dbraw/zinc/78/56/81/977785681.db2.gz	TURAZIXAWSILES-UHFFFAOYSA-N	0	1	382.229	3.771	10	10		GHCEMN
O=C([O-])CC[N@@H+](Cc1ccccc1)Cc1cc(Br)cc(F)c1O	ZINC000715790067	977785685	/nfs/dbraw/zinc/78/56/85/977785685.db2.gz	TURAZIXAWSILES-UHFFFAOYSA-N	0	1	382.229	3.771	10	10		GHCEMN
Cc1nc([C@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c2ccccc2)n[nH]1	ZINC000162644135	843291560	/nfs/dbraw/zinc/29/15/60/843291560.db2.gz	OJBHFKBJQPECME-YCRPNKLZSA-N	0	1	395.482	3.529	10	10		GHCEMN
Cc1nc([C@H](N[C@H](C)c2ccc(N3CCC(O)CC3)cc2)c2ccccc2)n[nH]1	ZINC000162474480	843258488	/nfs/dbraw/zinc/25/84/88/843258488.db2.gz	AFQXYRBOCNVLIB-OPAMFIHVSA-N	0	1	391.519	3.514	10	10		GHCEMN
Cc1nc([C@H](N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c2ccccc2)n[nH]1	ZINC000162644416	843291626	/nfs/dbraw/zinc/29/16/26/843291626.db2.gz	OJBHFKBJQPECME-QVKFZJNVSA-N	0	1	395.482	3.529	10	10		GHCEMN
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C	ZINC000116569930	886367927	/nfs/dbraw/zinc/36/79/27/886367927.db2.gz	GVVSAQQICRIYRE-RXVVDRJESA-N	0	1	396.535	3.619	10	10		GHCEMN
Cc1nc([C@H](N[C@@H](C)c2ccc(N3CCC(O)CC3)cc2)c2ccccc2)n[nH]1	ZINC000162474210	843259097	/nfs/dbraw/zinc/25/90/97/843259097.db2.gz	AFQXYRBOCNVLIB-KSFYIVLOSA-N	0	1	391.519	3.514	10	10		GHCEMN
CC[C@@]1(c2ccc(N[C@H](C)c3ccc(F)c(F)c3O)cc2)CCC(=O)NC1=O	ZINC000187887079	883811685	/nfs/dbraw/zinc/81/16/85/883811685.db2.gz	SHVVCYVGRAJGBT-GTJPDFRWSA-N	0	1	388.414	3.928	10	10		GHCEMN
CC(C)(C)OC(=O)N[C@](C)(C([O-])=C[N+]#N)c1ccc(OCc2ccccc2)cc1	ZINC000095931888	208239370	/nfs/dbraw/zinc/23/93/70/208239370.db2.gz	QYYOIXSFUACVEC-QFIPXVFZSA-N	0	1	395.459	3.875	10	10		GHCEMN
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cccc2c1NCC2	ZINC000089210465	136175497	/nfs/dbraw/zinc/17/54/97/136175497.db2.gz	CLXVQNVDUPILKX-GDNBJRDFSA-N	0	1	383.860	3.980	10	10		GHCEMN
COc1ccc([C@H](NCc2c(O)ccc(Cl)c2F)c2nccn2C)cc1	ZINC000190739210	884118924	/nfs/dbraw/zinc/11/89/24/884118924.db2.gz	XASGBRUDYJHXJV-SFHVURJKSA-N	0	1	375.831	3.806	10	10		GHCEMN
COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1O	ZINC000001197731	206366890	/nfs/dbraw/zinc/36/68/90/206366890.db2.gz	BKTIKVSHVJEFPW-NTUHNPAUSA-N	0	1	388.832	3.726	10	10		GHCEMN
COc1ccc(N2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)cc1	ZINC000058534567	136155562	/nfs/dbraw/zinc/15/55/62/136155562.db2.gz	NSMZLCUSUKWNNG-UHFFFAOYSA-N	0	1	394.494	3.959	10	10		GHCEMN
Cc1nc([C@@H](N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c2ccccc2)n[nH]1	ZINC000162644282	843292047	/nfs/dbraw/zinc/29/20/47/843292047.db2.gz	OJBHFKBJQPECME-BTYIYWSLSA-N	0	1	395.482	3.529	10	10		GHCEMN
Cc1nc([C@@H](N[C@H](C)c2ccc(N3CCC(O)CC3)cc2)c2ccccc2)n[nH]1	ZINC000162474601	843259208	/nfs/dbraw/zinc/25/92/08/843259208.db2.gz	AFQXYRBOCNVLIB-ZHRRBRCNSA-N	0	1	391.519	3.514	10	10		GHCEMN
CC[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc(Br)ccc1[O-]	ZINC000192712539	864465236	/nfs/dbraw/zinc/46/52/36/864465236.db2.gz	PJSQFLNTGFFSFL-INIZCTEOSA-N	0	1	391.313	3.654	10	10		GHCEMN
COc1ccc([C@@H](NCc2c(O)ccc(Cl)c2F)c2nccn2C)cc1	ZINC000190739187	884118735	/nfs/dbraw/zinc/11/87/35/884118735.db2.gz	XASGBRUDYJHXJV-GOSISDBHSA-N	0	1	375.831	3.806	10	10		GHCEMN
CC[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc(Br)ccc1[O-]	ZINC000192712555	864465275	/nfs/dbraw/zinc/46/52/75/864465275.db2.gz	PJSQFLNTGFFSFL-MRXNPFEDSA-N	0	1	391.313	3.654	10	10		GHCEMN
Cc1nc([C@@H](N[C@@H](C)c2ccc(N3CCC(O)CC3)cc2)c2ccccc2)n[nH]1	ZINC000162474342	843258956	/nfs/dbraw/zinc/25/89/56/843258956.db2.gz	AFQXYRBOCNVLIB-AOMKIAJQSA-N	0	1	391.519	3.514	10	10		GHCEMN
CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C	ZINC000246896358	891322243	/nfs/dbraw/zinc/32/22/43/891322243.db2.gz	GVVSAQQICRIYRE-NQIIRXRSSA-N	0	1	396.535	3.619	10	10		GHCEMN
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c2ccccc12	ZINC000001197462	212228455	/nfs/dbraw/zinc/22/84/55/212228455.db2.gz	MSDQEWXQAWPSIE-QGOAFFKASA-N	0	1	388.448	3.680	10	10		GHCEMN