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(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)N[C@@H](C)C(C)C	ZINC000103908783	644604237	/nfs/dbraw/zinc/60/42/37/644604237.db2.gz	ABOCCLROQWQALX-ZDUSSCGKSA-N	1	0	388.559	1.479	10	30		GDEERO
COCCOc1ccc(C(F)(F)F)cc1NC(=O)C[N+]12CCN(CC1)CC2	ZINC000029219873	717116798	/nfs/dbraw/zinc/11/67/98/717116798.db2.gz	UXKIYXZPHZCJOI-UHFFFAOYSA-O	1	0	388.410	1.815	10	30		GDEERO
CC[NH+]=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCCC1	ZINC000103891834	644604356	/nfs/dbraw/zinc/60/43/56/644604356.db2.gz	FCLMXSCGMXVIOM-UHFFFAOYSA-N	1	0	386.543	1.330	10	30		GDEERO
N#C[C@@H]1CCC[C@@H]1NC(NCc1cccs1)=[NH+]C[C@H]1CCS(=O)(=O)C1	ZINC000262407142	645130293	/nfs/dbraw/zinc/13/02/93/645130293.db2.gz	ORRQIYJLWYTOJF-YCPHGPKFSA-N	1	0	380.539	1.910	10	30		GDEERO
C[NH+]=C(NC[C@@H]1CN(C)CCO1)NCC1(c2cccc(Br)c2)CC1	ZINC000262562032	645134258	/nfs/dbraw/zinc/13/42/58/645134258.db2.gz	WRLGUPFUAJQDDA-MRXNPFEDSA-N	1	0	395.345	1.976	10	30		GDEERO
CO[C@H]1C[C@H](C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)N(S(C)(=O)=O)C1	ZINC000329862629	645333503	/nfs/dbraw/zinc/33/35/03/645333503.db2.gz	RHFUSOYDDHLMHX-QLFBSQMISA-N	1	0	375.535	1.502	10	30		GDEERO
C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@H](C)c1ccccc1C	ZINC000262809527	645140765	/nfs/dbraw/zinc/14/07/65/645140765.db2.gz	USMODOBOUWVVST-OAHLLOKOSA-N	1	0	384.571	1.600	10	30		GDEERO
C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCO1	ZINC000157671662	531207029	/nfs/dbraw/zinc/20/70/29/531207029.db2.gz	GGZOKYFGHYSXNL-ZDUSSCGKSA-N	1	0	377.388	1.528	10	30		GDEERO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1	ZINC000135673367	531111293	/nfs/dbraw/zinc/11/12/93/531111293.db2.gz	OEQYCCMWBWEECU-AWEZNQCLSA-N	1	0	382.511	1.448	10	30		GDEERO
CN(C)/C=[NH+]/C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C	ZINC000669385210	570377184	/nfs/dbraw/zinc/37/71/84/570377184.db2.gz	MEBOBLUKSXGASS-SSDVNMTOSA-N	1	0	389.431	1.380	10	30		GDEERO
CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCN(c2ncc(Br)c(OC)n2)CC1	ZINC000261766387	645116711	/nfs/dbraw/zinc/11/67/11/645116711.db2.gz	OWIMWGUXNYOHKV-WCQYABFASA-N	1	0	397.321	1.744	10	30		GDEERO
C[NH+]=C(NC[C@H]1CN(C)CCO1)NCC1(c2cccc(Br)c2)CC1	ZINC000262562031	645134185	/nfs/dbraw/zinc/13/41/85/645134185.db2.gz	WRLGUPFUAJQDDA-INIZCTEOSA-N	1	0	395.345	1.976	10	30		GDEERO
C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H](C)c1ccccc1C	ZINC000262809526	645140678	/nfs/dbraw/zinc/14/06/78/645140678.db2.gz	USMODOBOUWVVST-HNNXBMFYSA-N	1	0	384.571	1.600	10	30		GDEERO
CC[N@@H+]1CCC[C@@H](NC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1	ZINC000328916217	645288495	/nfs/dbraw/zinc/28/84/95/645288495.db2.gz	REOCNBDUTBEVPB-CQSZACIVSA-N	1	0	387.527	1.558	10	30		GDEERO
C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000161454465	530560552	/nfs/dbraw/zinc/56/05/52/530560552.db2.gz	BKPWHOQPHRYTAO-ZDUSSCGKSA-N	1	0	385.917	1.925	10	30		GDEERO
C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CCO1	ZINC000155225273	531197260	/nfs/dbraw/zinc/19/72/60/531197260.db2.gz	KLLKQGCKXXOWQT-CYBMUJFWSA-N	1	0	388.287	1.272	10	30		GDEERO
C[O+]=NN(O)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(C)C	ZINC000097961763	522736923	/nfs/dbraw/zinc/73/69/23/522736923.db2.gz	KKLOYBIQOALSNH-SBCIHWNMSA-N	1	0	384.458	1.334	10	30		GDEERO
N#Cc1ccc(S(=O)(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1Cl	ZINC000333662395	532244226	/nfs/dbraw/zinc/24/42/26/532244226.db2.gz	LSYKZRJRXRQVSL-ZBFHGGJFSA-N	1	0	381.885	1.601	10	30		GDEERO
CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)[N+]13CCN(CC1)CC3)CCC2	ZINC000029228922	717117995	/nfs/dbraw/zinc/11/79/95/717117995.db2.gz	LIKNNDTXJVNRTF-ZDUSSCGKSA-O	1	0	378.518	1.887	10	30		GDEERO
CO[C@H]1C[C@H](C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)N(S(C)(=O)=O)C1	ZINC000329832950	645331645	/nfs/dbraw/zinc/33/16/45/645331645.db2.gz	GDPVTFSPUJSNQD-MJBXVCDLSA-N	1	0	375.516	1.356	10	30		GDEERO
C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CCO1	ZINC000155225383	531197639	/nfs/dbraw/zinc/19/76/39/531197639.db2.gz	KLLKQGCKXXOWQT-ZDUSSCGKSA-N	1	0	388.287	1.272	10	30		GDEERO
C[C@@H]1C[C@@H](NC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CC[N@@H+]1C	ZINC000329702492	645322866	/nfs/dbraw/zinc/32/28/66/645322866.db2.gz	HWBPDUZMNJKCQK-OCCSQVGLSA-N	1	0	387.527	1.556	10	30		GDEERO
N#Cc1cnc(Nc2cc(NC[C@H]3C[NH2+]CCO3)c(C(F)(F)F)cn2)nc1	ZINC000669685256	570386875	/nfs/dbraw/zinc/38/68/75/570386875.db2.gz	IRKMMMYSHQFOJG-LLVKDONJSA-N	1	0	379.346	1.906	10	30		GDEERO
C[N+](C)(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CCCC1	ZINC000029414513	717119065	/nfs/dbraw/zinc/11/90/65/717119065.db2.gz	WEOSSBCUKAWHDY-UHFFFAOYSA-N	1	0	398.524	1.678	10	30		GDEERO
C=C(Br)CNC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000117485905	644651356	/nfs/dbraw/zinc/65/13/56/644651356.db2.gz	STDLHTGQOFNASW-HNNXBMFYSA-N	1	0	389.338	1.331	10	30		GDEERO
N#Cc1cc(F)c(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1Br	ZINC000289257642	532319528	/nfs/dbraw/zinc/31/95/28/532319528.db2.gz	XXUCNGVRVPJFKC-LLVKDONJSA-N	1	0	388.262	1.929	10	30		GDEERO
COc1cccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(C#N)cc2)c1	ZINC000015864106	207064362	/nfs/dbraw/zinc/06/43/62/207064362.db2.gz	MOLSYBCSCDXOGD-UHFFFAOYSA-N	1	0	392.459	1.641	10	30		GDEERO
CO[C@H]1C[C@H](C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)N(S(C)(=O)=O)C1	ZINC000329878095	645334850	/nfs/dbraw/zinc/33/48/50/645334850.db2.gz	KGGKOLDRZGDDRT-OWCLPIDISA-N	1	0	375.535	1.360	10	30		GDEERO
C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1	ZINC000295728161	531616248	/nfs/dbraw/zinc/61/62/48/531616248.db2.gz	OQGOIJHBIKMIEU-JTQLQIEISA-N	1	0	376.251	1.784	10	30		GDEERO
N#Cc1ccc(CNC(=O)C2([NH3+])CCN(c3ncnc4[nH]ccc43)CC2)cc1	ZINC000089223199	136175454	/nfs/dbraw/zinc/17/54/54/136175454.db2.gz	MXASIRIFLIRICL-UHFFFAOYSA-N	1	0	375.436	1.444	10	30		GDEERO
CCC1CCC(NC(NCCS(=O)(=O)N2CCSCC2)=[NH+]C)CC1	ZINC000085984859	644589184	/nfs/dbraw/zinc/58/91/84/644589184.db2.gz	KBYPVDIOVCIKPZ-UHFFFAOYSA-N	1	0	376.592	1.499	10	30		GDEERO
C[C@H](C(=O)Nc1cccc(I)c1)[N+]12CCN(CC1)CC2	ZINC000029226758	717117521	/nfs/dbraw/zinc/11/75/21/717117521.db2.gz	HEEJXKUNMQYMEP-GFCCVEGCSA-O	1	0	386.257	1.764	10	30		GDEERO
C[NH+]=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)N[C@H](C)C(C)C	ZINC000103908777	644604149	/nfs/dbraw/zinc/60/41/49/644604149.db2.gz	ABOCCLROQWQALX-CYBMUJFWSA-N	1	0	388.559	1.479	10	30		GDEERO
CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[N+]13CCN(CC1)CC3)CCC2	ZINC000029228917	717117950	/nfs/dbraw/zinc/11/79/50/717117950.db2.gz	LIKNNDTXJVNRTF-CYBMUJFWSA-O	1	0	378.518	1.887	10	30		GDEERO
C[NH+]=C(N[C@@H]1C[C@H]1C)N1CCN(c2ncc(Br)c(OC)n2)CC1	ZINC000261739816	645116334	/nfs/dbraw/zinc/11/63/34/645116334.db2.gz	MHWNJNMSDBBXNJ-ZYHUDNBSSA-N	1	0	383.294	1.354	10	30		GDEERO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1	ZINC000135673414	531111154	/nfs/dbraw/zinc/11/11/54/531111154.db2.gz	OEQYCCMWBWEECU-CQSZACIVSA-N	1	0	382.511	1.448	10	30		GDEERO
CO[C@H]1C[C@H](C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)N(S(C)(=O)=O)C1	ZINC000329840496	645332526	/nfs/dbraw/zinc/33/25/26/645332526.db2.gz	JQJQQWZKGHXXRT-DGXTUMSLSA-N	1	0	375.535	1.358	10	30		GDEERO
C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1	ZINC000295728176	531616421	/nfs/dbraw/zinc/61/64/21/531616421.db2.gz	OQGOIJHBIKMIEU-SNVBAGLBSA-N	1	0	376.251	1.784	10	30		GDEERO
CC[NH+]=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)N[C@@H]1C[C@H]1C	ZINC000262815795	645140697	/nfs/dbraw/zinc/14/06/97/645140697.db2.gz	OXPGAOMTMDKQCF-TZMCWYRMSA-N	1	0	386.543	1.233	10	30		GDEERO
C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCO1	ZINC000157671523	531207016	/nfs/dbraw/zinc/20/70/16/531207016.db2.gz	GGZOKYFGHYSXNL-CYBMUJFWSA-N	1	0	377.388	1.528	10	30		GDEERO
C=CCN1CCc2c(c(C(=O)NC[C@@H]3CCC[N@H+]3CC)nn2CCOC)C1	ZINC000020776646	518871051	/nfs/dbraw/zinc/87/10/51/518871051.db2.gz	CPYOOTXWRNFHSI-INIZCTEOSA-N	1	0	375.517	1.288	10	30		GDEERO
C=CCn1c2ccccc2n(CCC(=O)NCC[NH+]2CCCCC2)c(=O)c1=O	ZINC000033272449	519263726	/nfs/dbraw/zinc/26/37/26/519263726.db2.gz	FXLWUIOCDJFQAG-UHFFFAOYSA-N	1	0	384.480	1.341	10	30		GDEERO
Cc1c(Br)c(C)n(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(=O)c1C#N	ZINC000897598118	658870349	/nfs/dbraw/zinc/87/03/49/658870349.db2.gz	IPRJECAAGOLCKJ-YPMHNXCESA-N	1	0	395.257	1.033	10	30		GDEERO
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@]1([NH+](C)C)CCSC1	ZINC000330047165	532113215	/nfs/dbraw/zinc/11/32/15/532113215.db2.gz	JDGAHJHODVINBJ-XHDPSFHLSA-N	1	0	390.531	1.352	10	30		GDEERO
C=CCN1CCc2c(c(C(=O)NC[C@H]3CCC[N@H+]3CC)nn2CCOC)C1	ZINC000020776643	518869971	/nfs/dbraw/zinc/86/99/71/518869971.db2.gz	CPYOOTXWRNFHSI-MRXNPFEDSA-N	1	0	375.517	1.288	10	30		GDEERO
N#Cc1ccc(C(=O)N(CCc2ccccc2)CC(=O)N2CC[NH2+]CC2)cc1	ZINC000033032548	570669503	/nfs/dbraw/zinc/66/95/03/570669503.db2.gz	LMKPDWAEYQDMPW-UHFFFAOYSA-N	1	0	376.460	1.675	10	30		GDEERO
C=C(Br)CNC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000117485902	644651329	/nfs/dbraw/zinc/65/13/29/644651329.db2.gz	STDLHTGQOFNASW-OAHLLOKOSA-N	1	0	389.338	1.331	10	30		GDEERO
CO[C@H]1C[C@H](C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)N(S(C)(=O)=O)C1	ZINC000329878094	645334694	/nfs/dbraw/zinc/33/46/94/645334694.db2.gz	KGGKOLDRZGDDRT-HRCADAONSA-N	1	0	375.535	1.360	10	30		GDEERO
C[NH+]=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)NC1CCCC1	ZINC000103905639	644604170	/nfs/dbraw/zinc/60/41/70/644604170.db2.gz	RDMUKHKOSGWESO-UHFFFAOYSA-N	1	0	386.543	1.377	10	30		GDEERO
C[NH+]=C(NC[C@H]1CN(C)CCO1)NCC1(c2ccccc2Br)CC1	ZINC000262550842	645133508	/nfs/dbraw/zinc/13/35/08/645133508.db2.gz	SYTPERAWSWCTEW-AWEZNQCLSA-N	1	0	395.345	1.976	10	30		GDEERO
C[C@H](C(=O)Nc1ccc(I)cc1)[N+]12CCN(CC1)CC2	ZINC000029225867	717117206	/nfs/dbraw/zinc/11/72/06/717117206.db2.gz	RXOZZASOXVUAJJ-GFCCVEGCSA-O	1	0	386.257	1.764	10	30		GDEERO
CCOC(=O)Sc1nc(C[C@H](C(=O)OC)[N+](C)(C)C)cn1C(=O)OCC	ZINC000077292226	211129628	/nfs/dbraw/zinc/12/96/28/211129628.db2.gz	MTUHGEATEKLNOI-GFCCVEGCSA-N	1	0	388.466	1.927	10	30		GDEERO
C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCN(c2ncc(Br)c(OC)n2)CC1	ZINC000261739806	645116266	/nfs/dbraw/zinc/11/62/66/645116266.db2.gz	MHWNJNMSDBBXNJ-CMPLNLGQSA-N	1	0	383.294	1.354	10	30		GDEERO
C[C@@H](C(=O)Nc1cccc(I)c1)[N+]12CCN(CC1)CC2	ZINC000029226752	717117496	/nfs/dbraw/zinc/11/74/96/717117496.db2.gz	HEEJXKUNMQYMEP-LBPRGKRZSA-O	1	0	386.257	1.764	10	30		GDEERO
C=CC[NH+]1CCC(NC(=O)c2cnc(-n3cnnc3)c(Br)c2)CC1	ZINC000223069622	645074327	/nfs/dbraw/zinc/07/43/27/645074327.db2.gz	UQCWKNFSLXTGGB-UHFFFAOYSA-N	1	0	391.273	1.805	10	30		GDEERO
CO[C@H]1C[C@H](C(=O)NC[C@H](c2ccsc2)[NH+](C)C)N(S(C)(=O)=O)C1	ZINC000329832949	645331698	/nfs/dbraw/zinc/33/16/98/645331698.db2.gz	GDPVTFSPUJSNQD-BFHYXJOUSA-N	1	0	375.516	1.356	10	30		GDEERO
O=C(C[N+]12CCN(CC1)CC2)N1CCN(c2ncc(Cl)cc2Cl)CC1	ZINC000055051123	717130295	/nfs/dbraw/zinc/13/02/95/717130295.db2.gz	LVIGFUXOJFJPLU-UHFFFAOYSA-N	1	0	385.319	1.183	10	30		GDEERO
S=C(NC[C@H]1CCCO1)N/N=C1/C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3	ZINC000137867436	570494635	/nfs/dbraw/zinc/49/46/35/570494635.db2.gz	DKJVATWZNXCQRC-KZFKPXONSA-N	1	0	399.564	1.185	10	30		GDEERO
C[NH+]=C(NC[C@@H]1CN(C)CCO1)NCC1(c2ccccc2Br)CC1	ZINC000262550849	645133593	/nfs/dbraw/zinc/13/35/93/645133593.db2.gz	SYTPERAWSWCTEW-CQSZACIVSA-N	1	0	395.345	1.976	10	30		GDEERO
CC[NH+]=C(NC[C@H](O)C(F)(F)F)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262809466	645140822	/nfs/dbraw/zinc/14/08/22/645140822.db2.gz	UQSFJHCLJBBWKW-LBPRGKRZSA-N	1	0	385.452	1.308	10	30		GDEERO
C[N+](C)(CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C1CCCC1	ZINC000029414574	717118927	/nfs/dbraw/zinc/11/89/27/717118927.db2.gz	JFQYZHDBSCYSBB-UHFFFAOYSA-N	1	0	398.524	1.678	10	30		GDEERO
C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2ccc(Cl)cc2C#N)CC1	ZINC000161454596	530560377	/nfs/dbraw/zinc/56/03/77/530560377.db2.gz	BKPWHOQPHRYTAO-CYBMUJFWSA-N	1	0	385.917	1.925	10	30		GDEERO
Cc1c(Br)c(C)n(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(=O)c1C#N	ZINC000897598115	658870315	/nfs/dbraw/zinc/87/03/15/658870315.db2.gz	IPRJECAAGOLCKJ-AAEUAGOBSA-N	1	0	395.257	1.033	10	30		GDEERO
N#Cc1cc(F)c(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1Br	ZINC000289257651	532319449	/nfs/dbraw/zinc/31/94/49/532319449.db2.gz	XXUCNGVRVPJFKC-NSHDSACASA-N	1	0	388.262	1.929	10	30		GDEERO
Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cn1	ZINC000275477604	570694046	/nfs/dbraw/zinc/69/40/46/570694046.db2.gz	IFDPSLWUVCNSBE-IRLDBZIGSA-N	1	0	392.507	1.866	10	30		GDEERO
C[N+](C)(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CCCC1	ZINC000029414629	717118789	/nfs/dbraw/zinc/11/87/89/717118789.db2.gz	UYZISTIFAFCWRH-UHFFFAOYSA-N	1	0	394.561	1.680	10	30		GDEERO
Cc1c(Br)c(C)n(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(=O)c1C#N	ZINC000897598116	658870246	/nfs/dbraw/zinc/87/02/46/658870246.db2.gz	IPRJECAAGOLCKJ-DGCLKSJQSA-N	1	0	395.257	1.033	10	30		GDEERO
C[O+]=NN(O)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(C)C	ZINC000097961762	522737767	/nfs/dbraw/zinc/73/77/67/522737767.db2.gz	KKLOYBIQOALSNH-BWGFTNSASA-N	1	0	384.458	1.334	10	30		GDEERO
CC[NH+]=C(NC[C@@H](O)c1cccc(Cl)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261958567	645119909	/nfs/dbraw/zinc/11/99/09/645119909.db2.gz	JMGYIQBLUWAGST-OAHLLOKOSA-N	1	0	387.933	1.848	10	30		GDEERO
N#Cc1ccc(S(=O)(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(Cl)c1	ZINC000333689102	532244720	/nfs/dbraw/zinc/24/47/20/532244720.db2.gz	PNKCNJWMYXLMOV-HIFRSBDPSA-N	1	0	381.885	1.601	10	30		GDEERO
CO[C@H]1C[C@H](C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)N(S(C)(=O)=O)C1	ZINC000329840491	645332600	/nfs/dbraw/zinc/33/26/00/645332600.db2.gz	JQJQQWZKGHXXRT-DGADGQDISA-N	1	0	375.535	1.358	10	30		GDEERO
CO[C@H]1C[C@H](C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)N(S(C)(=O)=O)C1	ZINC000329862631	645333778	/nfs/dbraw/zinc/33/37/78/645333778.db2.gz	RHFUSOYDDHLMHX-SOUVJXGZSA-N	1	0	375.535	1.502	10	30		GDEERO
C[C@@H](C(=O)Nc1ccccc1I)[N+]12CCN(CC1)CC2	ZINC000029226329	717117428	/nfs/dbraw/zinc/11/74/28/717117428.db2.gz	NMLFRLOBCGDZKS-LBPRGKRZSA-O	1	0	386.257	1.764	10	30		GDEERO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH2+]CCO)[C@H]2c2ccccc2)cc1	ZINC000025179832	523559804	/nfs/dbraw/zinc/55/98/04/523559804.db2.gz	BKAVAEKTWSWIKL-IBGZPJMESA-N	1	0	396.443	1.855	10	30		GDEERO
CC[NH+]=C(N[C@@H]1C[C@H]1C)N1CCN(c2ncc(Br)c(OC)n2)CC1	ZINC000261766384	645116679	/nfs/dbraw/zinc/11/66/79/645116679.db2.gz	OWIMWGUXNYOHKV-DGCLKSJQSA-N	1	0	397.321	1.744	10	30		GDEERO
C[C@@H]1C[C@H](NC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CC[N@@H+]1C	ZINC000329702493	645322656	/nfs/dbraw/zinc/32/26/56/645322656.db2.gz	HWBPDUZMNJKCQK-TZMCWYRMSA-N	1	0	387.527	1.556	10	30		GDEERO
C[C@@H](C(=O)Nc1ccc(I)cc1)[N+]12CCN(CC1)CC2	ZINC000029225862	717117546	/nfs/dbraw/zinc/11/75/46/717117546.db2.gz	RXOZZASOXVUAJJ-LBPRGKRZSA-O	1	0	386.257	1.764	10	30		GDEERO
C=C(Br)CNC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1	ZINC000114592284	644642152	/nfs/dbraw/zinc/64/21/52/644642152.db2.gz	UMWUSPPKXXNSFG-UHFFFAOYSA-N	1	0	382.306	1.883	10	30		GDEERO
CC[NH+]=C(NC[C@H](O)c1cccc(Cl)c1)N1CCS(=O)(=O)C(C)(C)C1	ZINC000261958566	645119803	/nfs/dbraw/zinc/11/98/03/645119803.db2.gz	JMGYIQBLUWAGST-HNNXBMFYSA-N	1	0	387.933	1.848	10	30		GDEERO
N#C[C@@H]1CCC[C@@H]1NC(NCc1cccs1)=[NH+]C[C@@H]1CCS(=O)(=O)C1	ZINC000262407132	645130352	/nfs/dbraw/zinc/13/03/52/645130352.db2.gz	ORRQIYJLWYTOJF-DZKIICNBSA-N	1	0	380.539	1.910	10	30		GDEERO
CC[N@@H+]1CCC[C@H](NC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1	ZINC000328916214	645288474	/nfs/dbraw/zinc/28/84/74/645288474.db2.gz	REOCNBDUTBEVPB-AWEZNQCLSA-N	1	0	387.527	1.558	10	30		GDEERO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH2+]CCO)[C@@H]2c2ccccc2)cc1	ZINC000025179823	523561105	/nfs/dbraw/zinc/56/11/05/523561105.db2.gz	BKAVAEKTWSWIKL-LJQANCHMSA-N	1	0	396.443	1.855	10	30		GDEERO
CC[NH+]=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)N[C@@H]1C[C@@H]1C	ZINC000262815786	645140668	/nfs/dbraw/zinc/14/06/68/645140668.db2.gz	OXPGAOMTMDKQCF-GXTWGEPZSA-N	1	0	386.543	1.233	10	30		GDEERO
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@@]1([NH+](C)C)CCSC1	ZINC000330047164	532113394	/nfs/dbraw/zinc/11/33/94/532113394.db2.gz	JDGAHJHODVINBJ-NHYWBVRUSA-N	1	0	390.531	1.352	10	30		GDEERO
S=C(NC[C@@H]1CCCO1)N/N=C1/C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3	ZINC000103535630	526383816	/nfs/dbraw/zinc/38/38/16/526383816.db2.gz	DKJVATWZNXCQRC-ZJFPNRQMSA-N	1	0	399.564	1.185	10	30		GDEERO
Cc1c(Br)c(C)n(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(=O)c1C#N	ZINC000897598117	658870128	/nfs/dbraw/zinc/87/01/28/658870128.db2.gz	IPRJECAAGOLCKJ-WCQYABFASA-N	1	0	395.257	1.033	10	30		GDEERO
C[C@H](C(=O)Nc1ccccc1I)[N+]12CCN(CC1)CC2	ZINC000029226335	717117362	/nfs/dbraw/zinc/11/73/62/717117362.db2.gz	NMLFRLOBCGDZKS-GFCCVEGCSA-O	1	0	386.257	1.764	10	30		GDEERO
CC[NH+]=C(NC[C@@H](O)C(F)(F)F)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000262809462	645140114	/nfs/dbraw/zinc/14/01/14/645140114.db2.gz	UQSFJHCLJBBWKW-GFCCVEGCSA-N	1	0	385.452	1.308	10	30		GDEERO
C[NH+](C)CCCNc1ncc2c(n1)c(=O)c(C#N)c1[nH]c3ccccc3c(=O)n21	ZINC000003187090	212102704	/nfs/dbraw/zinc/10/27/04/212102704.db2.gz	FIAPOMDBQDPGQL-UHFFFAOYSA-N	1	0	389.419	1.319	10	30		GDEERO