smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2	ZINC000178991236	134314345	/nfs/dbraw/zinc/31/43/45/134314345.db2.gz	KOOJWBDKMIWDKQ-SECBINFHSA-N	2	0	211.313	-1.138	20	30		BAEDRP
CN(C)C(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2	ZINC000178991248	134314235	/nfs/dbraw/zinc/31/42/35/134314235.db2.gz	KOOJWBDKMIWDKQ-VIFPVBQESA-N	2	0	211.313	-1.138	20	30		BAEDRP
COCCNC(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C	ZINC000262321553	135292742	/nfs/dbraw/zinc/29/27/42/135292742.db2.gz	RNAZRRKJJWHSQZ-JTQLQIEISA-N	2	0	243.355	-1.217	20	30		BAEDRP
COCCNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C	ZINC000262321555	135292844	/nfs/dbraw/zinc/29/28/44/135292844.db2.gz	RNAZRRKJJWHSQZ-SNVBAGLBSA-N	2	0	243.355	-1.217	20	30		BAEDRP
C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])N2CCOCC2)C1	ZINC000262322929	536475577	/nfs/dbraw/zinc/47/55/77/536475577.db2.gz	SKZYBDPYBFSLIL-LLVKDONJSA-N	2	0	242.323	-1.300	20	30		BAEDRP
C[N@@H+]1CC[C@](O)(CNC(=[NH2+])N2CCOCC2)C1	ZINC000262322930	135293029	/nfs/dbraw/zinc/29/30/29/135293029.db2.gz	SKZYBDPYBFSLIL-NSHDSACASA-N	2	0	242.323	-1.300	20	30		BAEDRP
COCCNC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1	ZINC000262323679	135293373	/nfs/dbraw/zinc/29/33/73/135293373.db2.gz	SPXSLNYZHFSBFQ-JTQLQIEISA-N	2	0	230.312	-1.396	20	30		BAEDRP
COCCNC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1	ZINC000262323682	135293168	/nfs/dbraw/zinc/29/31/68/135293168.db2.gz	SPXSLNYZHFSBFQ-SNVBAGLBSA-N	2	0	230.312	-1.396	20	30		BAEDRP
CN(C)C(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1	ZINC000262349523	135294825	/nfs/dbraw/zinc/29/48/25/135294825.db2.gz	YONSVIMXHZBAPP-SECBINFHSA-N	2	0	200.286	-1.071	20	30		BAEDRP
CN(C)C(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1	ZINC000262349526	135294843	/nfs/dbraw/zinc/29/48/43/135294843.db2.gz	YONSVIMXHZBAPP-VIFPVBQESA-N	2	0	200.286	-1.071	20	30		BAEDRP
CN1CC[NH+]=C1NC[C@H]1C[NH+]2CCN1CC2	ZINC000262480954	135301949	/nfs/dbraw/zinc/30/19/49/135301949.db2.gz	CXFFNUUQMLXUAC-JTQLQIEISA-N	2	0	223.324	-1.123	20	30		BAEDRP
CN1CC[NH+]=C1NC[C@@H]1C[NH+]2CCN1CC2	ZINC000262480956	135301810	/nfs/dbraw/zinc/30/18/10/135301810.db2.gz	CXFFNUUQMLXUAC-SNVBAGLBSA-N	2	0	223.324	-1.123	20	30		BAEDRP
C[C@@H]1C[NH+]=C(NC[C@@H]2C[NH+]3CCN2CC3)N1	ZINC000262664323	135311767	/nfs/dbraw/zinc/31/17/67/135311767.db2.gz	NYEBKBMCTMRUGC-NXEZZACHSA-N	2	0	223.324	-1.077	20	30		BAEDRP
C[C@H]1C[NH+]=C(NC[C@H]2C[NH+]3CCN2CC3)N1	ZINC000262664324	135312035	/nfs/dbraw/zinc/31/20/35/135312035.db2.gz	NYEBKBMCTMRUGC-UWVGGRQHSA-N	2	0	223.324	-1.077	20	30		BAEDRP
C[C@H]1C[NH+]=C(NC[C@@H]2C[NH+]3CCN2CC3)N1	ZINC000262664325	135312302	/nfs/dbraw/zinc/31/23/02/135312302.db2.gz	NYEBKBMCTMRUGC-VHSXEESVSA-N	2	0	223.324	-1.077	20	30		BAEDRP
C[C@@H]1C[NH+]=C(NC[C@H]2C[NH+]3CCN2CC3)N1	ZINC000262664326	135311674	/nfs/dbraw/zinc/31/16/74/135311674.db2.gz	NYEBKBMCTMRUGC-ZJUUUORDSA-N	2	0	223.324	-1.077	20	30		BAEDRP
C[C@@H]1C[NH+]=C(NC[C@]2(O)CC[N@H+](C)C2)N1	ZINC000262667214	135312472	/nfs/dbraw/zinc/31/24/72/135312472.db2.gz	PIOXZIBEEFENDP-PSASIEDQSA-N	2	0	212.297	-1.010	20	30		BAEDRP
C[C@@H]1C[NH+]=C(NC[C@@]2(O)CC[N@H+](C)C2)N1	ZINC000262667215	135312494	/nfs/dbraw/zinc/31/24/94/135312494.db2.gz	PIOXZIBEEFENDP-SCZZXKLOSA-N	2	0	212.297	-1.010	20	30		BAEDRP
C[C@H]1C[NH+]=C(NC[C@]2(O)CC[N@H+](C)C2)N1	ZINC000262667217	135312451	/nfs/dbraw/zinc/31/24/51/135312451.db2.gz	PIOXZIBEEFENDP-WCBMZHEXSA-N	2	0	212.297	-1.010	20	30		BAEDRP
C[C@H]1C[NH+]=C(NC[C@@]2(O)CC[N@H+](C)C2)N1	ZINC000262667218	135312482	/nfs/dbraw/zinc/31/24/82/135312482.db2.gz	PIOXZIBEEFENDP-WPRPVWTQSA-N	2	0	212.297	-1.010	20	30		BAEDRP
COCCNC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2	ZINC000262801412	135319042	/nfs/dbraw/zinc/31/90/42/135319042.db2.gz	QYTHSFQWLJLSLL-JTQLQIEISA-N	2	0	241.339	-1.463	20	30		BAEDRP
COCCNC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2	ZINC000262801415	135319099	/nfs/dbraw/zinc/31/90/99/135319099.db2.gz	QYTHSFQWLJLSLL-SNVBAGLBSA-N	2	0	241.339	-1.463	20	30		BAEDRP
CNC(NC[C@@H]1C[NH+]2CCN1CC2)=[NH+]C	ZINC000305186816	385203041	/nfs/dbraw/zinc/20/30/41/385203041.db2.gz	IVDBWOKSYIZXIF-SECBINFHSA-N	2	0	211.313	-1.219	20	30		BAEDRP
CNC(NC[C@H]1C[NH+]2CCN1CC2)=[NH+]C	ZINC000305186817	385204161	/nfs/dbraw/zinc/20/41/61/385204161.db2.gz	IVDBWOKSYIZXIF-VIFPVBQESA-N	2	0	211.313	-1.219	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[NH2+]C1CC1	ZINC000309546871	711637097	/nfs/dbraw/zinc/63/70/97/711637097.db2.gz	CCMSHOJPANEEAM-APPZFPTMSA-N	2	0	208.265	-1.034	20	30		BAEDRP
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C[NH2+]C1CC1	ZINC000309546874	711637072	/nfs/dbraw/zinc/63/70/72/711637072.db2.gz	CCMSHOJPANEEAM-CBAPKCEASA-N	2	0	208.265	-1.034	20	30		BAEDRP
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C[NH2+]C1CC1	ZINC000309546877	633195879	/nfs/dbraw/zinc/19/58/79/633195879.db2.gz	CCMSHOJPANEEAM-IONNQARKSA-N	2	0	208.265	-1.034	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[NH2+]C1CC1	ZINC000309546879	633196474	/nfs/dbraw/zinc/19/64/74/633196474.db2.gz	CCMSHOJPANEEAM-VXNVDRBHSA-N	2	0	208.265	-1.034	20	30		BAEDRP
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1	ZINC000309651514	632616359	/nfs/dbraw/zinc/61/63/59/632616359.db2.gz	TWXZGTQSUICLLX-CIUDSAMLSA-N	2	0	208.265	-1.034	20	30		BAEDRP
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCC[NH2+]1	ZINC000309651516	632616877	/nfs/dbraw/zinc/61/68/77/632616877.db2.gz	TWXZGTQSUICLLX-DJLDLDEBSA-N	2	0	208.265	-1.034	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[NH2+]1	ZINC000309651518	632617577	/nfs/dbraw/zinc/61/75/77/632617577.db2.gz	TWXZGTQSUICLLX-HLTSFMKQSA-N	2	0	208.265	-1.034	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[NH2+]1	ZINC000309651520	632617555	/nfs/dbraw/zinc/61/75/55/632617555.db2.gz	TWXZGTQSUICLLX-HRDYMLBCSA-N	2	0	208.265	-1.034	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCC[NH2+]1	ZINC000309651522	632615842	/nfs/dbraw/zinc/61/58/42/632615842.db2.gz	TWXZGTQSUICLLX-IWSPIJDZSA-N	2	0	208.265	-1.034	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1	ZINC000309651524	633985091	/nfs/dbraw/zinc/98/50/91/633985091.db2.gz	TWXZGTQSUICLLX-VGMNWLOBSA-N	2	0	208.265	-1.034	20	30		BAEDRP
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[NH2+]1	ZINC000309651906	633220359	/nfs/dbraw/zinc/22/03/59/633220359.db2.gz	TWXZGTQSUICLLX-XHNCKOQMSA-N	2	0	208.265	-1.034	20	30		BAEDRP
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[NH2+]1	ZINC000309651907	633984717	/nfs/dbraw/zinc/98/47/17/633984717.db2.gz	TWXZGTQSUICLLX-YIZRAAEISA-N	2	0	208.265	-1.034	20	30		BAEDRP
C#CCNC(=O)CC[NH2+]C[C@H](O)CN(C)C	ZINC000491565846	388303842	/nfs/dbraw/zinc/30/38/42/388303842.db2.gz	CPJQSMSHSYQOEF-JTQLQIEISA-N	2	0	227.308	-1.362	20	30		BAEDRP
C#CCNC(=O)CC[NH2+]C[C@@H](O)CN(C)C	ZINC000491565847	388303957	/nfs/dbraw/zinc/30/39/57/388303957.db2.gz	CPJQSMSHSYQOEF-SNVBAGLBSA-N	2	0	227.308	-1.362	20	30		BAEDRP
COCC[NH2+]CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N	ZINC000834483939	712598434	/nfs/dbraw/zinc/59/84/34/712598434.db2.gz	BLOXHHUBTCNDFN-BDAKNGLRSA-N	2	0	226.280	-1.550	20	30		BAEDRP
COCC[NH2+]CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N	ZINC000834483940	712598548	/nfs/dbraw/zinc/59/85/48/712598548.db2.gz	BLOXHHUBTCNDFN-DTWKUNHWSA-N	2	0	226.280	-1.550	20	30		BAEDRP
COCC[NH2+]CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N	ZINC000834483941	712598415	/nfs/dbraw/zinc/59/84/15/712598415.db2.gz	BLOXHHUBTCNDFN-IUCAKERBSA-N	2	0	226.280	-1.550	20	30		BAEDRP
COCC[NH2+]CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N	ZINC000834483942	712598481	/nfs/dbraw/zinc/59/84/81/712598481.db2.gz	BLOXHHUBTCNDFN-RKDXNWHRSA-N	2	0	226.280	-1.550	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@]1(F)CC[NH2+]C1	ZINC000834484084	645143834	/nfs/dbraw/zinc/14/38/34/645143834.db2.gz	DNZBHLNQLINVQM-KHQFGBGNSA-N	2	0	226.255	-1.084	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@]1(F)CC[NH2+]C1	ZINC000834484085	645143197	/nfs/dbraw/zinc/14/31/97/645143197.db2.gz	DNZBHLNQLINVQM-MRTMQBJTSA-N	2	0	226.255	-1.084	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@]1(F)CC[NH2+]C1	ZINC000834484086	645142796	/nfs/dbraw/zinc/14/27/96/645142796.db2.gz	DNZBHLNQLINVQM-NQMVMOMDSA-N	2	0	226.255	-1.084	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@]1(F)CC[NH2+]C1	ZINC000834484087	645143541	/nfs/dbraw/zinc/14/35/41/645143541.db2.gz	DNZBHLNQLINVQM-WEDXCCLWSA-N	2	0	226.255	-1.084	20	30		BAEDRP
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21	ZINC000843459601	588112222	/nfs/dbraw/zinc/11/22/22/588112222.db2.gz	GYBNNFLUPWLFPL-GENCIFFESA-N	2	0	220.276	-1.320	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21	ZINC000843459602	588112739	/nfs/dbraw/zinc/11/27/39/588112739.db2.gz	GYBNNFLUPWLFPL-SPFKKGSWSA-N	2	0	220.276	-1.320	20	30		BAEDRP
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21	ZINC000843459603	588112617	/nfs/dbraw/zinc/11/26/17/588112617.db2.gz	GYBNNFLUPWLFPL-SRQGCSHVSA-N	2	0	220.276	-1.320	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21	ZINC000843459604	588112838	/nfs/dbraw/zinc/11/28/38/588112838.db2.gz	GYBNNFLUPWLFPL-ZJDVBMNYSA-N	2	0	220.276	-1.320	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1	ZINC000843459605	588112272	/nfs/dbraw/zinc/11/22/72/588112272.db2.gz	GYBPLYDFOAYSRK-GRDBIXFFSA-N	2	0	220.276	-1.035	20	30		BAEDRP
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1	ZINC000843459606	588112575	/nfs/dbraw/zinc/11/25/75/588112575.db2.gz	GYBPLYDFOAYSRK-KGDYZURWSA-N	2	0	220.276	-1.035	20	30		BAEDRP
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1	ZINC000843459607	588112398	/nfs/dbraw/zinc/11/23/98/588112398.db2.gz	GYBPLYDFOAYSRK-MQIGXGKASA-N	2	0	220.276	-1.035	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1	ZINC000843459608	588112781	/nfs/dbraw/zinc/11/27/81/588112781.db2.gz	GYBPLYDFOAYSRK-VFCFLDTKSA-N	2	0	220.276	-1.035	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1	ZINC000843461698	588112614	/nfs/dbraw/zinc/11/26/14/588112614.db2.gz	WFJBUVWEDLJXFZ-HXFLIBJXSA-N	2	0	208.265	-1.049	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1	ZINC000843461700	588112370	/nfs/dbraw/zinc/11/23/70/588112370.db2.gz	WFJBUVWEDLJXFZ-LURQLKTLSA-N	2	0	208.265	-1.049	20	30		BAEDRP
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1	ZINC000843461702	588112366	/nfs/dbraw/zinc/11/23/66/588112366.db2.gz	WFJBUVWEDLJXFZ-MAUMQABQSA-N	2	0	208.265	-1.049	20	30		BAEDRP
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1	ZINC000843461703	588112650	/nfs/dbraw/zinc/11/26/50/588112650.db2.gz	WFJBUVWEDLJXFZ-RBXMUDONSA-N	2	0	208.265	-1.049	20	30		BAEDRP
CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N	ZINC000852827293	588706298	/nfs/dbraw/zinc/70/62/98/588706298.db2.gz	GAAYPHABCQMLJZ-GUBZILKMSA-N	2	0	240.307	-1.034	20	30		BAEDRP
CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N	ZINC000852827294	588706215	/nfs/dbraw/zinc/70/62/15/588706215.db2.gz	GAAYPHABCQMLJZ-KXUCPTDWSA-N	2	0	240.307	-1.034	20	30		BAEDRP
CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N	ZINC000852827295	588706485	/nfs/dbraw/zinc/70/64/85/588706485.db2.gz	GAAYPHABCQMLJZ-LPEHRKFASA-N	2	0	240.307	-1.034	20	30		BAEDRP
CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N	ZINC000852827296	588706476	/nfs/dbraw/zinc/70/64/76/588706476.db2.gz	GAAYPHABCQMLJZ-UTLUCORTSA-N	2	0	240.307	-1.034	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1	ZINC000852876129	588710234	/nfs/dbraw/zinc/71/02/34/588710234.db2.gz	WFJBUVWEDLJXFZ-BGZDPUMWSA-N	2	0	208.265	-1.049	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1	ZINC000852876130	588710125	/nfs/dbraw/zinc/71/01/25/588710125.db2.gz	WFJBUVWEDLJXFZ-FNCVBFRFSA-N	2	0	208.265	-1.049	20	30		BAEDRP
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1	ZINC000852876131	588710150	/nfs/dbraw/zinc/71/01/50/588710150.db2.gz	WFJBUVWEDLJXFZ-JBDRJPRFSA-N	2	0	208.265	-1.049	20	30		BAEDRP
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1	ZINC000852876132	588710262	/nfs/dbraw/zinc/71/02/62/588710262.db2.gz	WFJBUVWEDLJXFZ-XSPKLOCKSA-N	2	0	208.265	-1.049	20	30		BAEDRP
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1(O)C[NH2+]C1	ZINC000852876331	588710478	/nfs/dbraw/zinc/71/04/78/588710478.db2.gz	YQEGUDHMQFEBRX-BQBZGAKWSA-N	2	0	210.237	-2.452	20	30		BAEDRP
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1(O)C[NH2+]C1	ZINC000852876332	588710527	/nfs/dbraw/zinc/71/05/27/588710527.db2.gz	YQEGUDHMQFEBRX-NKWVEPMBSA-N	2	0	210.237	-2.452	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1(O)C[NH2+]C1	ZINC000852876333	588710536	/nfs/dbraw/zinc/71/05/36/588710536.db2.gz	YQEGUDHMQFEBRX-RNFRBKRXSA-N	2	0	210.237	-2.452	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1(O)C[NH2+]C1	ZINC000852876334	588710418	/nfs/dbraw/zinc/71/04/18/588710418.db2.gz	YQEGUDHMQFEBRX-RQJHMYQMSA-N	2	0	210.237	-2.452	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1	ZINC000852876353	588710440	/nfs/dbraw/zinc/71/04/40/588710440.db2.gz	ZEVPYTBYWWGSCT-BHNWBGBOSA-N	2	0	237.263	-1.682	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1=NO[C@H](C[NH3+])C1	ZINC000852876354	588710510	/nfs/dbraw/zinc/71/05/10/588710510.db2.gz	ZEVPYTBYWWGSCT-BKPPORCPSA-N	2	0	237.263	-1.682	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1=NO[C@H](C[NH3+])C1	ZINC000852876355	588710494	/nfs/dbraw/zinc/71/04/94/588710494.db2.gz	ZEVPYTBYWWGSCT-FJXKBIBVSA-N	2	0	237.263	-1.682	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1	ZINC000852876356	588710468	/nfs/dbraw/zinc/71/04/68/588710468.db2.gz	ZEVPYTBYWWGSCT-ZXFLCMHBSA-N	2	0	237.263	-1.682	20	30		BAEDRP
C#CCNC(=O)CC[NH2+]CCN1CC[C@@H](O)C1	ZINC000863582511	589301411	/nfs/dbraw/zinc/30/14/11/589301411.db2.gz	KMDVQKDFSHUVLO-LLVKDONJSA-N	2	0	239.319	-1.218	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CN1CC[NH2+]CC1	ZINC000876801752	584887081	/nfs/dbraw/zinc/88/70/81/584887081.db2.gz	IIVPBAFVWUFCQC-NXEZZACHSA-N	2	0	237.307	-1.881	20	30		BAEDRP
N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CN1CC[NH2+]CC1	ZINC000876801753	584887152	/nfs/dbraw/zinc/88/71/52/584887152.db2.gz	IIVPBAFVWUFCQC-UWVGGRQHSA-N	2	0	237.307	-1.881	20	30		BAEDRP
N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CN1CC[NH2+]CC1	ZINC000876801754	584887206	/nfs/dbraw/zinc/88/72/06/584887206.db2.gz	IIVPBAFVWUFCQC-VHSXEESVSA-N	2	0	237.307	-1.881	20	30		BAEDRP
N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CN1CC[NH2+]CC1	ZINC000876801755	584887344	/nfs/dbraw/zinc/88/73/44/584887344.db2.gz	IIVPBAFVWUFCQC-ZJUUUORDSA-N	2	0	237.307	-1.881	20	30		BAEDRP
C[C@]1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)C[NH2+]CCO1	ZINC000876802543	590244006	/nfs/dbraw/zinc/24/40/06/590244006.db2.gz	QDICENDDPBWFMP-ATZCPNFKSA-N	2	0	238.291	-1.407	20	30		BAEDRP
C[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)C[NH2+]CCO1	ZINC000876802544	590243667	/nfs/dbraw/zinc/24/36/67/590243667.db2.gz	QDICENDDPBWFMP-FXPVBKGRSA-N	2	0	238.291	-1.407	20	30		BAEDRP
C[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)C[NH2+]CCO1	ZINC000876802545	590243936	/nfs/dbraw/zinc/24/39/36/590243936.db2.gz	QDICENDDPBWFMP-IQJOONFLSA-N	2	0	238.291	-1.407	20	30		BAEDRP
C[C@]1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)C[NH2+]CCO1	ZINC000876802546	590243821	/nfs/dbraw/zinc/24/38/21/590243821.db2.gz	QDICENDDPBWFMP-WCABBAIRSA-N	2	0	238.291	-1.407	20	30		BAEDRP
CNC(NCCN(C)CCOCCO)=[NH+]C	ZINC000887324236	592480664	/nfs/dbraw/zinc/48/06/64/592480664.db2.gz	WKVFKUVERGXGCG-UHFFFAOYSA-N	2	0	232.328	-1.278	20	30		BAEDRP
C#CC[NH2+]CC(=O)NCCCN1CC[NH2+]CC1	ZINC000911629537	639690365	/nfs/dbraw/zinc/69/03/65/639690365.db2.gz	WWDBHUYHUARECU-UHFFFAOYSA-N	2	0	238.335	-1.379	20	30		BAEDRP
C#CC[NH2+]CC(=O)NCCN1CC[NH2+]CC1	ZINC000911696244	639730661	/nfs/dbraw/zinc/73/06/61/639730661.db2.gz	UIMAXZNILQYECZ-UHFFFAOYSA-N	2	0	224.308	-1.769	20	30		BAEDRP
C#CC[NH2+]CC(=O)N(C)CCN1CC[NH2+]CC1	ZINC000911774044	639796082	/nfs/dbraw/zinc/79/60/82/639796082.db2.gz	GTTKIFRFCOUBBS-UHFFFAOYSA-N	2	0	238.335	-1.427	20	30		BAEDRP
C#CC[NH2+]CC(=O)N1CCN(C)C[C@@H]1C[NH3+]	ZINC000911875367	639862784	/nfs/dbraw/zinc/86/27/84/639862784.db2.gz	NILHNXRWXNXLGC-JTQLQIEISA-N	2	0	224.308	-1.690	20	30		BAEDRP
C#CC[NH2+]CC(=O)N1CCN(C)C[C@H]1C[NH3+]	ZINC000911875368	639863884	/nfs/dbraw/zinc/86/38/84/639863884.db2.gz	NILHNXRWXNXLGC-SNVBAGLBSA-N	2	0	224.308	-1.690	20	30		BAEDRP
C#CC[NH2+]CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1	ZINC000911879427	639864828	/nfs/dbraw/zinc/86/48/28/639864828.db2.gz	GKIVTHQKZTWYKB-NXEZZACHSA-N	2	0	225.292	-1.216	20	30		BAEDRP
C#CC[NH2+]CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1	ZINC000911879428	639865679	/nfs/dbraw/zinc/86/56/79/639865679.db2.gz	GKIVTHQKZTWYKB-UWVGGRQHSA-N	2	0	225.292	-1.216	20	30		BAEDRP
C#CC[NH2+]CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1	ZINC000911879429	639864981	/nfs/dbraw/zinc/86/49/81/639864981.db2.gz	GKIVTHQKZTWYKB-VHSXEESVSA-N	2	0	225.292	-1.216	20	30		BAEDRP
C#CC[NH2+]CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1	ZINC000911879430	639865114	/nfs/dbraw/zinc/86/51/14/639865114.db2.gz	GKIVTHQKZTWYKB-ZJUUUORDSA-N	2	0	225.292	-1.216	20	30		BAEDRP