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@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000408415791	376898140	/nfs/dbraw/zinc/89/81/40/376898140.db2.gz	PSNRCIVMEPKWNB-QMMMGPOBSA-N	-1	1	339.377	-0.239	10	0		EBAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)co1	ZINC000408023128	376283262	/nfs/dbraw/zinc/28/32/62/376283262.db2.gz	QFOYXQDTTJFKEK-NWDGAFQWSA-N	-1	1	343.405	-0.267	10	0		EBAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)o1	ZINC000284150439	380166012	/nfs/dbraw/zinc/16/60/12/380166012.db2.gz	QHHHHBLRVUVXBP-MNOVXSKESA-N	-1	1	343.405	-0.267	10	0		EBAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)o1	ZINC000284150434	380166380	/nfs/dbraw/zinc/16/63/80/380166380.db2.gz	QHHHHBLRVUVXBP-GHMZBOCLSA-N	-1	1	343.405	-0.267	10	0		EBAEMM
Cc1n[nH]c(C)c1S(=O)(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)[O-]	ZINC000170306903	419077256	/nfs/dbraw/zinc/07/72/56/419077256.db2.gz	UXNGUGCBIVTSOR-SNVBAGLBSA-N	-1	1	325.350	-0.050	10	0		EBAEMM
C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cccc(F)c1)C(=O)[O-]	ZINC000029410327	202187322	/nfs/dbraw/zinc/18/73/22/202187322.db2.gz	DYJPZEILSXWEAK-AUTRQRHGSA-N	-1	1	325.340	-0.211	10	0		EBAEMM
Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCS(=O)(=O)C2)c1Cl	ZINC000037984329	202382864	/nfs/dbraw/zinc/38/28/64/202382864.db2.gz	AZHPTZYYCTZCAQ-SSDOTTSWSA-N	-1	1	327.815	-0.214	10	0		EBAEMM
COCCn1cc(CN2CCN([C@]3(C(=O)[O-])CCOC3)CC2)cn1	ZINC000886071748	584655678	/nfs/dbraw/zinc/65/56/78/584655678.db2.gz	DTILXNZEAOFSTP-MRXNPFEDSA-N	-1	1	338.408	-0.109	10	0		EBAEMM
O=c1cnn(CCCCN2CCN(c3ncccn3)CC2)c(=O)[n-]1	ZINC000141284817	381196606	/nfs/dbraw/zinc/19/66/06/381196606.db2.gz	LOTOEDHKWFOSAJ-UHFFFAOYSA-N	-1	1	331.380	-0.676	10	0		EBAEMM
Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CCS(=O)(=O)C2)c1Cl	ZINC000037984328	202382556	/nfs/dbraw/zinc/38/25/56/202382556.db2.gz	AZHPTZYYCTZCAQ-ZETCQYMHSA-N	-1	1	327.815	-0.214	10	0		EBAEMM
Cn1nnnc1SC[C@H]1CS[C@]2(C)[C@H](N)C(=O)N2[C@H]1C(=O)[O-]	ZINC000616589930	378376026	/nfs/dbraw/zinc/37/60/26/378376026.db2.gz	TWCQEDQHRRJGKO-ZSJKCOSDSA-N	-1	1	344.422	-0.996	10	0		EBAEMM
CN(C)[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000408415788	376728252	/nfs/dbraw/zinc/72/82/52/376728252.db2.gz	PSNRCIVMEPKWNB-MRVPVSSYSA-N	-1	1	339.377	-0.239	10	0		EBAEMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CCc2ncnn2C1	ZINC000112648345	381255504	/nfs/dbraw/zinc/25/55/04/381255504.db2.gz	BKGDWSAZCOLXDX-LLVKDONJSA-N	-1	1	341.375	-0.095	10	0		EBAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)co1	ZINC000365644214	377460900	/nfs/dbraw/zinc/46/09/00/377460900.db2.gz	QZJDUAFQFOBDQY-WDEREUQCSA-N	-1	1	329.378	-0.657	10	0		EBAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)o1	ZINC000368122352	380991533	/nfs/dbraw/zinc/99/15/33/380991533.db2.gz	JYCFGTZPNCZEHX-GXSJLCMTSA-N	-1	1	329.378	-0.657	10	0		EBAEMM
Cn1cc(S(=O)(=O)[N-]CCC2CCOCC2)c(=O)n(C)c1=O	ZINC000329331195	155220352	/nfs/dbraw/zinc/22/03/52/155220352.db2.gz	ZJWHLTQHMMDAJU-UHFFFAOYSA-N	-1	1	331.394	-0.821	10	0		EBAEMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCN(C)C(=O)C1	ZINC000188159505	154150145	/nfs/dbraw/zinc/15/01/45/154150145.db2.gz	JCIJWEMWWUXPJJ-UHFFFAOYSA-N	-1	1	331.376	-0.127	10	0		EBAEMM
O=C(Cn1[n-]c(=O)ccc1=O)N1CCC[C@H](CN2CCOCC2)C1	ZINC000112206702	303659865	/nfs/dbraw/zinc/65/98/65/303659865.db2.gz	ZJPNRJWZAFIXST-CYBMUJFWSA-N	-1	1	336.392	-0.893	10	0		EBAEMM
Nc1n[n-]c(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)n1	ZINC000008015777	379737485	/nfs/dbraw/zinc/73/74/85/379737485.db2.gz	YSYNDLPSKYZJOF-UHFFFAOYSA-N	-1	1	335.345	-0.153	10	0		EBAEMM
Nc1nc(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)n[n-]1	ZINC000008015777	379737488	/nfs/dbraw/zinc/73/74/88/379737488.db2.gz	YSYNDLPSKYZJOF-UHFFFAOYSA-N	-1	1	335.345	-0.153	10	0		EBAEMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H]1CN(C)CCO1	ZINC000170904743	154092086	/nfs/dbraw/zinc/09/20/86/154092086.db2.gz	FOJQPBKUPDSBFT-LBPRGKRZSA-N	-1	1	333.392	-0.371	10	0		EBAEMM
CN(Cc1nc(=O)n(C)[n-]1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1	ZINC000329939089	155247541	/nfs/dbraw/zinc/24/75/41/155247541.db2.gz	FLLGWMGJZJOKFZ-RYUDHWBXSA-N	-1	1	335.387	-0.057	10	0		EBAEMM
Cc1nc(S(=O)(=O)[N-][C@@H]2CCNC2=O)c(Br)n1C	ZINC000710355020	650036416	/nfs/dbraw/zinc/03/64/16/650036416.db2.gz	BUXKYKUFKPQNAL-ZCFIWIBFSA-N	-1	1	337.199	-0.342	10	0		EBAEMM
Cc1cc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)n[nH]1	ZINC000065461203	376224223	/nfs/dbraw/zinc/22/42/23/376224223.db2.gz	HPKXPUDFWZDFLH-ZWNOBZJWSA-N	-1	1	328.394	-0.504	10	0		EBAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@]3(CNC(=O)C3)C2)o1	ZINC000408248465	376783598	/nfs/dbraw/zinc/78/35/98/376783598.db2.gz	VOBDSHWZUXJQJR-AWEZNQCLSA-N	-1	1	341.389	-0.070	10	0		EBAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)o1	ZINC000408294039	376838392	/nfs/dbraw/zinc/83/83/92/376838392.db2.gz	JYCFGTZPNCZEHX-MWLCHTKSSA-N	-1	1	329.378	-0.657	10	0		EBAEMM
COc1ncc(-c2cccc(S(N)(=O)=O)c2-c2nn[n-]n2)cn1	ZINC000584596981	381233744	/nfs/dbraw/zinc/23/37/44/381233744.db2.gz	RPJPTTPMSPDSIM-UHFFFAOYSA-N	-1	1	333.333	-0.020	10	0		EBAEMM
O=C([O-])[C@]1(N2CCN(C(=O)CCc3ccncn3)CC2)CCOC1	ZINC000886077980	584655705	/nfs/dbraw/zinc/65/57/05/584655705.db2.gz	TWIUXQIJPKLSTG-INIZCTEOSA-N	-1	1	334.376	-0.203	10	0		EBAEMM
Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1nn[n-]n1	ZINC000072134543	216023960	/nfs/dbraw/zinc/02/39/60/216023960.db2.gz	QIIBYTXTZWKGKY-CYBMUJFWSA-N	-1	1	343.391	-0.485	10	0		EBAEMM
COC(=O)C(=O)C(C(=O)OC)=C([O-])C(=O)Nc1ccc(F)cc1	ZINC000198726116	381202620	/nfs/dbraw/zinc/20/26/20/381202620.db2.gz	JHTVQEHDNWSRFJ-VIFPVBQESA-N	-1	1	325.248	-0.135	10	0		EBAEMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@@H]1CN(C)CCO1	ZINC000170904740	154093248	/nfs/dbraw/zinc/09/32/48/154093248.db2.gz	FOJQPBKUPDSBFT-GFCCVEGCSA-N	-1	1	333.392	-0.371	10	0		EBAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)co1	ZINC000407998563	419132618	/nfs/dbraw/zinc/13/26/18/419132618.db2.gz	QZJDUAFQFOBDQY-QWRGUYRKSA-N	-1	1	329.378	-0.657	10	0		EBAEMM
CC(C)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)[O-]	ZINC000028631360	419572401	/nfs/dbraw/zinc/57/24/01/419572401.db2.gz	NWEGIYMHTZXVBP-GXTWGEPZSA-N	-1	1	337.376	-0.396	10	0		EBAEMM
O=C([O-])[C@@]1(N2CCN(Cc3nnc4n3CCOC4)CC2)CCOC1	ZINC000888102818	582605937	/nfs/dbraw/zinc/60/59/37/582605937.db2.gz	OJWVTEAYWPFVMQ-OAHLLOKOSA-N	-1	1	337.380	-0.830	10	0		EBAEMM
COC(=O)c1ccccc1NC(=O)C([O-])=C1C(=O)NC(=S)NC1=O	ZINC000198723519	378411885	/nfs/dbraw/zinc/41/18/85/378411885.db2.gz	WBFTVZAMKRPUED-UHFFFAOYSA-N	-1	1	349.324	-0.872	10	0		EBAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)co1	ZINC000408023246	376283868	/nfs/dbraw/zinc/28/38/68/376283868.db2.gz	QFOYXQDTTJFKEK-RYUDHWBXSA-N	-1	1	343.405	-0.267	10	0		EBAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)co1	ZINC000407996245	419132526	/nfs/dbraw/zinc/13/25/26/419132526.db2.gz	PUXKSXYAFLVCAV-CQSZACIVSA-N	-1	1	341.389	-0.070	10	0		EBAEMM
C[C@H](O)C(=O)N1CCc2c(nc(-c3ccc(C(N)=O)cc3)[n-]c2=O)C1	ZINC000067934569	215253444	/nfs/dbraw/zinc/25/34/44/215253444.db2.gz	UFXJMNXJYOMIKS-VIFPVBQESA-N	-1	1	342.355	-0.199	10	0		EBAEMM
C[C@]12SCC(CSc3cn[nH]n3)=C(C(=O)[O-])N1C(=O)[C@H]2N	ZINC000616582232	378305551	/nfs/dbraw/zinc/30/55/51/378305551.db2.gz	NLVDYYOQNOOEAB-LDYMZIIASA-N	-1	1	327.391	-0.132	10	0		EBAEMM
C[C@]12SCC(CSc3c[nH]nn3)=C(C(=O)[O-])N1C(=O)[C@H]2N	ZINC000616582232	378305570	/nfs/dbraw/zinc/30/55/70/378305570.db2.gz	NLVDYYOQNOOEAB-LDYMZIIASA-N	-1	1	327.391	-0.132	10	0		EBAEMM
Cn1nnnc1SC[C@@H]1CS[C@]2(C)[C@H](N)C(=O)N2[C@H]1C(=O)[O-]	ZINC000616589925	379132852	/nfs/dbraw/zinc/13/28/52/379132852.db2.gz	TWCQEDQHRRJGKO-OJKLQORTSA-N	-1	1	344.422	-0.996	10	0		EBAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)co1	ZINC000407998561	419132740	/nfs/dbraw/zinc/13/27/40/419132740.db2.gz	QZJDUAFQFOBDQY-MNOVXSKESA-N	-1	1	329.378	-0.657	10	0		EBAEMM
CC(C)[C@@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)[O-]	ZINC000028631367	419571742	/nfs/dbraw/zinc/57/17/42/419571742.db2.gz	NWEGIYMHTZXVBP-TZMCWYRMSA-N	-1	1	337.376	-0.396	10	0		EBAEMM
Cc1nc2nc(SCc3cc(=O)[nH]c(=O)[nH]3)[n-]c(=O)c2nc1C	ZINC000148390728	375915493	/nfs/dbraw/zinc/91/54/93/375915493.db2.gz	UDGZHNSDEJSCSF-UHFFFAOYSA-N	-1	1	332.345	-0.001	10	0		EBAEMM
COC(=O)C(=O)C(C(=O)OC)=C([O-])C(=O)Nc1cccc(OC)c1	ZINC000198718777	381202020	/nfs/dbraw/zinc/20/20/20/381202020.db2.gz	GBYYMPFZZFRJDC-JTQLQIEISA-N	-1	1	337.284	-0.266	10	0		EBAEMM
COC(=O)C(=O)C(C(=O)OC)=C([O-])C(=O)Nc1ccc(F)cc1	ZINC000198726132	381202961	/nfs/dbraw/zinc/20/29/61/381202961.db2.gz	JHTVQEHDNWSRFJ-SECBINFHSA-N	-1	1	325.248	-0.135	10	0		EBAEMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCNC(=O)[C@H]1C	ZINC000191759385	154156979	/nfs/dbraw/zinc/15/69/79/154156979.db2.gz	WQVVDQMOHFUERO-LLVKDONJSA-N	-1	1	331.376	-0.081	10	0		EBAEMM
O=C([O-])[C@@]1(N2CCN(CC(=O)N3CCCCC3)CC2)CCOC1	ZINC000886071752	584655818	/nfs/dbraw/zinc/65/58/18/584655818.db2.gz	FNMFGSZYPVJTIF-MRXNPFEDSA-N	-1	1	325.409	-0.140	10	0		EBAEMM
C[C@@H]1CN(C2CCN(C(=O)Cn3[n-]c(=O)ccc3=O)CC2)CCO1	ZINC000124255083	381281229	/nfs/dbraw/zinc/28/12/29/381281229.db2.gz	CMBCKTIFWNQBLX-GFCCVEGCSA-N	-1	1	336.392	-0.752	10	0		EBAEMM
Cc1nc(S(=O)(=O)[N-]C[C@@H](O)CN2CCOCC2)sc1C	ZINC000328861724	155192471	/nfs/dbraw/zinc/19/24/71/155192471.db2.gz	LWNJQZOVCOZGFZ-LLVKDONJSA-N	-1	1	335.451	-0.269	10	0		EBAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)co1	ZINC000408023249	376283230	/nfs/dbraw/zinc/28/32/30/376283230.db2.gz	QFOYXQDTTJFKEK-VXGBXAGGSA-N	-1	1	343.405	-0.267	10	0		EBAEMM
C[C@H]1CN(C2CCN(C(=O)Cn3[n-]c(=O)ccc3=O)CC2)CCO1	ZINC000124255275	381282468	/nfs/dbraw/zinc/28/24/68/381282468.db2.gz	CMBCKTIFWNQBLX-LBPRGKRZSA-N	-1	1	336.392	-0.752	10	0		EBAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)co1	ZINC000407998558	419132582	/nfs/dbraw/zinc/13/25/82/419132582.db2.gz	QZJDUAFQFOBDQY-GHMZBOCLSA-N	-1	1	329.378	-0.657	10	0		EBAEMM
O=C(N[C@@H]1CCc2n[nH]cc2C1)c1cnc(Cn2cncn2)[n-]c1=O	ZINC000091951377	545923599	/nfs/dbraw/zinc/92/35/99/545923599.db2.gz	ITXJSTKVXDBSCY-SNVBAGLBSA-N	-1	1	340.347	-0.168	10	0		EBAEMM
Cn1cnc(S(=O)(=O)[N-]C2CCS(=O)(=O)CC2)c1Cl	ZINC000036331780	213084768	/nfs/dbraw/zinc/08/47/68/213084768.db2.gz	WJDHRATVCBVZQK-UHFFFAOYSA-N	-1	1	327.815	-0.071	10	0		EBAEMM
Cc1[nH]c(=O)sc1S(=O)(=O)[N-]C[C@H]1CCS(=O)(=O)C1	ZINC000038084335	213201392	/nfs/dbraw/zinc/20/13/92/213201392.db2.gz	GOSOMBFVCAAAQX-SSDOTTSWSA-N	-1	1	326.421	-0.542	10	0		EBAEMM
C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)co1	ZINC000408023127	376283149	/nfs/dbraw/zinc/28/31/49/376283149.db2.gz	QFOYXQDTTJFKEK-NEPJUHHUSA-N	-1	1	343.405	-0.267	10	0		EBAEMM
O=C(Cn1[n-]c(=O)ccc1=O)N1CCC[C@@H](CN2CCOCC2)C1	ZINC000112206703	376641032	/nfs/dbraw/zinc/64/10/32/376641032.db2.gz	ZJPNRJWZAFIXST-ZDUSSCGKSA-N	-1	1	336.392	-0.893	10	0		EBAEMM
Cn1nnnc1SC[C@H]1CS[C@]2(C)[C@H](N)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000616589928	378375986	/nfs/dbraw/zinc/37/59/86/378375986.db2.gz	TWCQEDQHRRJGKO-UEZPWLPBSA-N	-1	1	344.422	-0.996	10	0		EBAEMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1CCc2ncnn2C1	ZINC000112648348	381256897	/nfs/dbraw/zinc/25/68/97/381256897.db2.gz	BKGDWSAZCOLXDX-NSHDSACASA-N	-1	1	341.375	-0.095	10	0		EBAEMM
N=C(N)Nc1nc(CSCCC(=O)[N-]S(N)(=O)=O)cs1	ZINC000002510869	375886028	/nfs/dbraw/zinc/88/60/28/375886028.db2.gz	BPCROVNHEMFQOD-UHFFFAOYSA-N	-1	1	338.440	-0.609	10	0	in-vitro	EBAEMM
Cc1nc[nH]c1CN1C[C@@H]2CN(S(C)(=O)=O)C[C@]2(C(=O)[O-])C1	ZINC000065384452	376222551	/nfs/dbraw/zinc/22/25/51/376222551.db2.gz	QSNZJAYDTKDHSO-ZWNOBZJWSA-N	-1	1	328.394	-0.504	10	0		EBAEMM
O=C([O-])[C@]1(N2CCN(Cc3nnc4n3CCOC4)CC2)CCOC1	ZINC000888102817	582605973	/nfs/dbraw/zinc/60/59/73/582605973.db2.gz	OJWVTEAYWPFVMQ-HNNXBMFYSA-N	-1	1	337.380	-0.830	10	0		EBAEMM
O=C([O-])[C@]1(N2CCN(CC(=O)N3CCCCC3)CC2)CCOC1	ZINC000886071751	584655711	/nfs/dbraw/zinc/65/57/11/584655711.db2.gz	FNMFGSZYPVJTIF-INIZCTEOSA-N	-1	1	325.409	-0.140	10	0		EBAEMM
Cc1[nH]c(=O)sc1S(=O)(=O)[N-]C1CCS(=O)(=O)CC1	ZINC000037926511	213174450	/nfs/dbraw/zinc/17/44/50/213174450.db2.gz	CAFIMWVMIOFDNR-UHFFFAOYSA-N	-1	1	326.421	-0.400	10	0		EBAEMM
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C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)o1	ZINC000284150443	380165895	/nfs/dbraw/zinc/16/58/95/380165895.db2.gz	QHHHHBLRVUVXBP-QWRGUYRKSA-N	-1	1	343.405	-0.267	10	0		EBAEMM
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CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)[O-]	ZINC000002561108	375913587	/nfs/dbraw/zinc/91/35/87/375913587.db2.gz	VMLONWHIORGALA-SRVKXCTJSA-N	-1	1	331.413	-0.548	10	0		EBAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)o1	ZINC000408248466	376783539	/nfs/dbraw/zinc/78/35/39/376783539.db2.gz	VOBDSHWZUXJQJR-CQSZACIVSA-N	-1	1	341.389	-0.070	10	0		EBAEMM
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CC(C)[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)[O-]	ZINC000002597013	375886144	/nfs/dbraw/zinc/88/61/44/375886144.db2.gz	NWEGIYMHTZXVBP-OCCSQVGLSA-N	-1	1	337.376	-0.396	10	0		EBAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)o1	ZINC000408294040	376565639	/nfs/dbraw/zinc/56/56/39/376565639.db2.gz	JYCFGTZPNCZEHX-ONGXEEELSA-N	-1	1	329.378	-0.657	10	0		EBAEMM
CC1(C)O[C@@H]2[C@@H](CO)O[C@@H](n3cc(CO)c(=O)[n-]c3=S)[C@@H]2O1	ZINC000199374032	377502434	/nfs/dbraw/zinc/50/24/34/377502434.db2.gz	BETDENPMPLSMTA-TURQNECASA-N	-1	1	330.362	-0.192	10	0		EBAEMM
COC(=O)C(=O)C(C(=O)OC)=C([O-])C(=O)Nc1cccc(OC)c1	ZINC000198718790	378412660	/nfs/dbraw/zinc/41/26/60/378412660.db2.gz	GBYYMPFZZFRJDC-SNVBAGLBSA-N	-1	1	337.284	-0.266	10	0		EBAEMM
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Cc1c(S(=O)(=O)[N-]CCc2ccccc2)c(=O)n(C)c(=O)n1C	ZINC000004337753	210174931	/nfs/dbraw/zinc/17/49/31/210174931.db2.gz	ADICWLHYRFNCKU-UHFFFAOYSA-N	-1	1	337.401	-0.087	10	0		EBAEMM
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](N)Cc1cccc(F)c1)C(=O)[O-]	ZINC000029468442	376652380	/nfs/dbraw/zinc/65/23/80/376652380.db2.gz	DYJPZEILSXWEAK-HOTUBEGUSA-N	-1	1	325.340	-0.211	10	0		EBAEMM
Cn1nnnc1SC[C@@H]1CS[C@]2(C)[C@H](N)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000616589908	378375613	/nfs/dbraw/zinc/37/56/13/378375613.db2.gz	TWCQEDQHRRJGKO-KNAPAATOSA-N	-1	1	344.422	-0.996	10	0		EBAEMM
Cc1nc(S(=O)(=O)[N-]C[C@H](O)CN2CCOCC2)sc1C	ZINC000328861732	155191147	/nfs/dbraw/zinc/19/11/47/155191147.db2.gz	LWNJQZOVCOZGFZ-NSHDSACASA-N	-1	1	335.451	-0.269	10	0		EBAEMM
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC(NC(=O)C2CC2)C1	ZINC000189463792	154151141	/nfs/dbraw/zinc/15/11/41/154151141.db2.gz	WGZDOQLKCLKWTK-UHFFFAOYSA-N	-1	1	343.387	-0.081	10	0		EBAEMM
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COCCn1cc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cn1	ZINC000886071747	584655936	/nfs/dbraw/zinc/65/59/36/584655936.db2.gz	DTILXNZEAOFSTP-INIZCTEOSA-N	-1	1	338.408	-0.109	10	0		EBAEMM
Cc1[nH]c(=O)sc1S(=O)(=O)[N-]C[C@@H]1CCS(=O)(=O)C1	ZINC000038084334	213201333	/nfs/dbraw/zinc/20/13/33/213201333.db2.gz	GOSOMBFVCAAAQX-ZETCQYMHSA-N	-1	1	326.421	-0.542	10	0		EBAEMM
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Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1nn[n-]n1	ZINC000072134542	216023603	/nfs/dbraw/zinc/02/36/03/216023603.db2.gz	QIIBYTXTZWKGKY-ZDUSSCGKSA-N	-1	1	343.391	-0.485	10	0		EBAEMM
C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)o1	ZINC000284150446	380166266	/nfs/dbraw/zinc/16/62/66/380166266.db2.gz	QHHHHBLRVUVXBP-WDEREUQCSA-N	-1	1	343.405	-0.267	10	0		EBAEMM
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