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)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)C1c1ccccc1[N+](=O)[O-]	ZINC000408702901	557727475	/nfs/dbraw/zinc/72/74/75/557727475.db2.gz	VAKSKFCGCDOONY-FQEVSTJZSA-N	0	3	424.453	3.988	40	30		HHEBHN
CC(=NNc1cc(C)nc2cc3c(cc21)OCO3)c1cn(C)n(-c2ccccc2)c1=O	ZINC000017127094	558823472	/nfs/dbraw/zinc/82/34/72/558823472.db2.gz	HRKIWEVPYGRBLN-MFKUBSTISA-N	0	3	415.453	3.597	40	30		HHEBHN
CC(=[NH+][N-]c1cc(C)nc2cc3c(cc12)OCO3)c1cn(C)n(-c2ccccc2)c1=O	ZINC000017127094	558823474	/nfs/dbraw/zinc/82/34/74/558823474.db2.gz	HRKIWEVPYGRBLN-MFKUBSTISA-N	0	3	415.453	3.597	40	30		HHEBHN
C#CCOc1cccc(C[NH+]2CCC(c3cc(=O)[n-]c(-c4ccncc4)n3)CC2)c1	ZINC000072392733	568920135	/nfs/dbraw/zinc/92/01/35/568920135.db2.gz	SDRQYCOKNZHXCK-UHFFFAOYSA-N	0	3	400.482	3.636	40	30		HHEBHN
N#Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4F)[C@@H]3C2=O)cc1	ZINC000102764308	569041637	/nfs/dbraw/zinc/04/16/37/569041637.db2.gz	YJUDYOPKUHFMAL-FKBYEOEOSA-N	0	3	413.408	3.748	40	30		HHEBHN
Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@]6(CO6)[C@@H]5C[C@@H]43)CC2)c1	ZINC000082051440	558827644	/nfs/dbraw/zinc/82/76/44/558827644.db2.gz	WXTWEPYEQCZEHU-WCQONYCWSA-N	0	3	424.585	3.644	40	30		HHEBHN
CC(=NNC(N)=S)[C@@H](CN(C)C)[C@@H](c1ccccc1)C1COc2ccccc2C1=O	ZINC000102948956	559153778	/nfs/dbraw/zinc/15/37/78/559153778.db2.gz	NDZYRJXOFCMJRG-NKCAYDTJSA-N	0	3	424.570	3.519	40	30		HHEBHN
Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(C#N)cc3)C(=O)C2ON1c1ccccc1	ZINC000017836064	569366253	/nfs/dbraw/zinc/36/62/53/569366253.db2.gz	JIYBIUMRFZYGLJ-VJBWXMMDSA-N	0	3	409.445	3.918	40	30		HHEBHN
CN1CCc2nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)c(C#N)cc2C1	ZINC000019683182	569428363	/nfs/dbraw/zinc/42/83/63/569428363.db2.gz	JESFKAOWNNEQMN-UHFFFAOYSA-N	0	3	407.326	3.979	40	30		HHEBHN
N#CCCN(CCC#N)c1ccc(C=[NH+][N-]c2nc(O)c(-c3ccccc3)s2)cc1	ZINC000031818052	526456824	/nfs/dbraw/zinc/45/68/24/526456824.db2.gz	LRBZWDYZQVUIKM-HBAFHOPNSA-N	0	3	416.510	3.615	40	30		HHEBHN
CN1CCc2nc(SCC(=O)Nc3ccc(Cl)cc3Cl)c(C#N)cc2C1	ZINC000019683176	569428431	/nfs/dbraw/zinc/42/84/31/569428431.db2.gz	QIJUEOULNHCJTO-UHFFFAOYSA-N	0	3	407.326	3.979	40	30		HHEBHN
CC[NH+](CC)CCNC(=O)c1ccc(/N=C\c2cc(Br)ccc2[O-])cc1	ZINC000017023333	558812038	/nfs/dbraw/zinc/81/20/38/558812038.db2.gz	CBIPVPUIEFIXSX-UCQKPKSFSA-N	0	3	418.335	3.977	40	30		HHEBHN
C=CCn1cc(CN2CCC(c3cc(N)n4nc(C(C)(C)C)cc4n3)CC2)c(C)n1	ZINC000012120861	568993902	/nfs/dbraw/zinc/99/39/02/568993902.db2.gz	UDUAWVSJPRFHGE-UHFFFAOYSA-N	0	3	407.566	3.680	40	30		HHEBHN
C=CCc1cc(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)cc(OC)c1O	ZINC000012344206	519130647	/nfs/dbraw/zinc/13/06/47/519130647.db2.gz	NGEONBCGVPMWDA-UHFFFAOYSA-N	0	3	412.505	3.896	40	30		HHEBHN
Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@]6(CO6)[C@H]5C[C@@H]43)CC2)c1	ZINC000082051443	558827596	/nfs/dbraw/zinc/82/75/96/558827596.db2.gz	WXTWEPYEQCZEHU-FAXZPQNASA-N	0	3	424.585	3.644	40	30		HHEBHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000019138705	560871957	/nfs/dbraw/zinc/87/19/57/560871957.db2.gz	VSELOXKEURSEDR-JXFKEZNVSA-N	0	3	422.437	3.661	40	30		HHEBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C#N)cc4)[C@@H]3C2=O)cc1	ZINC000005296086	560562001	/nfs/dbraw/zinc/56/20/01/560562001.db2.gz	FGUGHJWIDXEWAP-ZRBLBEILSA-N	0	3	409.445	3.918	40	30		HHEBHN
N#Cc1cnc(Nc2cccc([C@H]3CCCN3CCOCc3ccccc3)n2)s1	ZINC000585294397	571305337	/nfs/dbraw/zinc/30/53/37/571305337.db2.gz	QNTONSPEEZHLMR-HXUWFJFHSA-N	0	3	405.527	4.507	40	30		HHEBHN
N#Cc1cnc(Nc2cccc([C@@H]3CCCN3CCOCc3ccccc3)n2)s1	ZINC000585294396	571305379	/nfs/dbraw/zinc/30/53/79/571305379.db2.gz	QNTONSPEEZHLMR-FQEVSTJZSA-N	0	3	405.527	4.507	40	30		HHEBHN
C#CCNC(=O)[C@@H]1Cc2cn(Cc3c(C)noc3C)c3cccc(c23)[C@H](CC(C)C)N1	ZINC000049171817	518283661	/nfs/dbraw/zinc/28/36/61/518283661.db2.gz	PKQMUQHZRFXTOD-VXKWHMMOSA-N	0	3	418.541	3.645	40	30	biogenic,in-vitro	HHEBHN
C=CCc1cc(CN2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)cc(OC)c1OCC	ZINC000012117020	568993528	/nfs/dbraw/zinc/99/35/28/568993528.db2.gz	RPYMZDVJDSKHQL-VXMMSVGHSA-N	0	3	411.546	3.571	40	30		HHEBHN
N#Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4F)[C@H]3C2=O)cc1	ZINC000102764313	569041620	/nfs/dbraw/zinc/04/16/20/569041620.db2.gz	YJUDYOPKUHFMAL-FSSWDIPSSA-N	0	3	413.408	3.748	40	30		HHEBHN
C=CCN(C)C(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(C(C)(C)C)cc2)nn1	ZINC000008300682	291247042	/nfs/dbraw/zinc/24/70/42/291247042.db2.gz	YTTNNSPLYYRXOI-FCEUIQTBSA-N	0	3	421.589	3.597	40	30	biogenic,in-vitro	HHEBHN
Cn1cc(CN2C[C@@H](F)[C@@H](OCc3nc4ccc(C#N)cc4[nH]3)C2)c2ccccc21	ZINC000096112290	291257690	/nfs/dbraw/zinc/25/76/90/291257690.db2.gz	JRMSMJRIEZDBIQ-GCJKJVERSA-N	0	3	403.461	3.665	40	30	biogenic,in-vitro	HHEBHN
N#CCCN(CCC#N)c1ccc(C=[NH+][N-]c2nc(O)c(-c3ccccc3)s2)cc1	ZINC000031818048	526456073	/nfs/dbraw/zinc/45/60/73/526456073.db2.gz	LRBZWDYZQVUIKM-WYRWUVFZSA-N	0	3	416.510	3.615	40	30		HHEBHN
Cc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(C#N)cc3)C(=O)C2ON1c1ccccc1	ZINC000101238466	568505586	/nfs/dbraw/zinc/50/55/86/568505586.db2.gz	JIYBIUMRFZYGLJ-VABKMULXSA-N	0	3	409.445	3.918	40	30		HHEBHN
Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)CC2)c1	ZINC000004000279	132269501	/nfs/dbraw/zinc/26/95/01/132269501.db2.gz	JMGOFRBCTALPQQ-RXUMLTCKSA-N	0	3	424.585	3.642	40	30		HHEBHN
CC1=C(C(=O)OCCC#N)C(c2ccccc2[N+](=O)[O-])C2=C(N1)c1ccccc1C2=O	ZINC000033724818	520821294	/nfs/dbraw/zinc/82/12/94/520821294.db2.gz	LTDVJCMNTGTZJD-IBGZPJMESA-N	0	3	415.405	3.620	40	30		HHEBHN
C=CCc1cc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1OC	ZINC000012667769	568995880	/nfs/dbraw/zinc/99/58/80/568995880.db2.gz	WSWQHBNOMCQREV-LJQANCHMSA-N	0	3	421.545	3.745	40	30		HHEBHN
C=CCc1cc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OCC)c1O	ZINC000019531820	569018102	/nfs/dbraw/zinc/01/81/02/569018102.db2.gz	YFYBSIJREZMZLH-IBGZPJMESA-N	0	3	421.545	3.832	40	30		HHEBHN
CC1=C(C(=O)OCCC#N)C(c2ccccc2[N+](=O)[O-])C2=C(N1)c1ccccc1C2=O	ZINC000033724819	520821039	/nfs/dbraw/zinc/82/10/39/520821039.db2.gz	LTDVJCMNTGTZJD-LJQANCHMSA-N	0	3	415.405	3.620	40	30		HHEBHN
C#CCOc1ccc(CN2C[C@@H]3CCC[C@](O)(c4ccc(C)cn4)[C@H]3C2)cc1OC	ZINC000036740045	568415806	/nfs/dbraw/zinc/41/58/06/568415806.db2.gz	ZFJGSNFRBQEIEP-STWLZBDKSA-N	0	3	406.526	3.530	40	30		HHEBHN
CC(=NNC(N)=S)[C@H](CN(C)C)[C@@H](c1ccccc1)C1COc2ccccc2C1=O	ZINC000102948958	559153801	/nfs/dbraw/zinc/15/38/01/559153801.db2.gz	NDZYRJXOFCMJRG-PZMZNECKSA-N	0	3	424.570	3.519	40	30		HHEBHN
C=CCNC(=O)[C@@H]1Cc2cn(Cc3cccnc3)c3cccc(c23)[C@H](CC(C)C)N1	ZINC000049171565	518920863	/nfs/dbraw/zinc/92/08/63/518920863.db2.gz	DGADBDJBBXYLAD-VXKWHMMOSA-N	0	3	402.542	3.988	40	30	biogenic,in-vitro	HHEBHN
Cc1c(C=NNc2cc(C)nc3cc4c(cc32)OCO4)c(=O)n(-c2ccccc2)n1C	ZINC000104216220	559159134	/nfs/dbraw/zinc/15/91/34/559159134.db2.gz	KDOGTBIAIRUFRD-MSXFZWOLSA-N	0	3	415.453	3.516	40	30		HHEBHN
Cc1c(C=[NH+][N-]c2cc(C)nc3cc4c(cc23)OCO4)c(=O)n(-c2ccccc2)n1C	ZINC000104216220	559159135	/nfs/dbraw/zinc/15/91/35/559159135.db2.gz	KDOGTBIAIRUFRD-MSXFZWOLSA-N	0	3	415.453	3.516	40	30		HHEBHN
CC(=NNC(N)=S)[C@H](CN(C)C)[C@@H](c1ccccc1)C1COc2ccccc2C1=O	ZINC000104296189	559159973	/nfs/dbraw/zinc/15/99/73/559159973.db2.gz	NDZYRJXOFCMJRG-MKQXIXSSSA-N	0	3	424.570	3.519	40	30		HHEBHN
C=CCc1cc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OCC)c1O	ZINC000019531818	569018083	/nfs/dbraw/zinc/01/80/83/569018083.db2.gz	YFYBSIJREZMZLH-LJQANCHMSA-N	0	3	421.545	3.832	40	30		HHEBHN
C#CCOc1ccc(CN2C[C@@H]3CCC[C@](O)(c4ccc(C)cn4)[C@@H]3C2)cc1OC	ZINC000247953723	569315796	/nfs/dbraw/zinc/31/57/96/569315796.db2.gz	ZFJGSNFRBQEIEP-BPYKYCOYSA-N	0	3	406.526	3.530	40	30		HHEBHN
COc1ccc2c(c1OCc1ccccc1)[C@@]13CCN(C)[C@@H](C2)[C@@H]1C=C(OC)C(=O)C3	ZINC000226313996	568694625	/nfs/dbraw/zinc/69/46/25/568694625.db2.gz	IHSQOOFCCVNVIB-CUVVAGTFSA-N	0	3	419.521	3.892	40	30		HHEBHN
C=CCNC[C@@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000104264789	559159632	/nfs/dbraw/zinc/15/96/32/559159632.db2.gz	UCNLHYNVNGKYBV-RXMQYKEDSA-N	0	3	419.181	3.862	40	30		HHEBHN
C=CCNC[C@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000104264785	559159634	/nfs/dbraw/zinc/15/96/34/559159634.db2.gz	UCNLHYNVNGKYBV-YFKPBYRVSA-N	0	3	419.181	3.862	40	30		HHEBHN
C#CCOc1ccc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)cc1OC	ZINC000012345238	568994986	/nfs/dbraw/zinc/99/49/86/568994986.db2.gz	SSORAFCGEFCJDX-KEVCNVLYSA-N	0	3	407.510	3.730	40	30		HHEBHN
C=CCNC(=O)[C@@H]1Cc2cn(Cc3ccncc3)c3cccc(c23)[C@H](CC(C)C)N1	ZINC000049171609	518921422	/nfs/dbraw/zinc/92/14/22/518921422.db2.gz	GHANWJWQSAOOSQ-VXKWHMMOSA-N	0	3	402.542	3.988	40	30	biogenic,in-vitro	HHEBHN
C[C@H]1CN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)C[C@H](C)O1	ZINC000004312964	560895840	/nfs/dbraw/zinc/89/58/40/560895840.db2.gz	KHMOANOOPDOELL-XYJFISCASA-N	0	3	408.502	3.726	40	30		HHEBHN
C=CCc1cc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1OC	ZINC000012667775	568995866	/nfs/dbraw/zinc/99/58/66/568995866.db2.gz	WSWQHBNOMCQREV-IBGZPJMESA-N	0	3	421.545	3.745	40	30		HHEBHN
C=CCN(C)C(=O)[C@@H]1Cc2cn(Cc3nccn3C)c3cccc(c23)[C@H](CC(C)C)N1	ZINC000049171994	518742575	/nfs/dbraw/zinc/74/25/75/518742575.db2.gz	OUYIPTBGZYEPDD-SFTDATJTSA-N	0	3	419.573	3.669	40	30	biogenic,in-vitro	HHEBHN
N#CCCN(CCC#N)c1ccc(C=[NH+][N-]c2nc(O)c(-c3ccccc3)s2)cc1	ZINC000001616039	557276410	/nfs/dbraw/zinc/27/64/10/557276410.db2.gz	LRBZWDYZQVUIKM-KXWHUPIZSA-N	0	3	416.510	3.615	40	30		HHEBHN
N#Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000013788049	558873760	/nfs/dbraw/zinc/87/37/60/558873760.db2.gz	KJIUIWMPLJPAED-BHIFYINESA-N	0	3	413.408	3.748	40	30		HHEBHN
C=CCN(C)C(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccc(C(C)(C)C)cc2)nn1	ZINC000008300680	961511753	/nfs/dbraw/zinc/51/17/53/961511753.db2.gz	YTTNNSPLYYRXOI-NNWRFLSQSA-N	0	3	421.589	3.597	40	30	biogenic,in-vitro	HHEBHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000000864474	559292275	/nfs/dbraw/zinc/29/22/75/559292275.db2.gz	VSELOXKEURSEDR-OXQOHEQNSA-N	0	3	422.437	3.661	40	30		HHEBHN
C#CCOc1ccc(CN2C[C@@H]3CCC[C@@](O)(c4ccc(C)cn4)[C@H]3C2)cc1OC	ZINC000036740044	568415754	/nfs/dbraw/zinc/41/57/54/568415754.db2.gz	ZFJGSNFRBQEIEP-WATLYSKOSA-N	0	3	406.526	3.530	40	30		HHEBHN
CC#CCn1cc2c3c1cccc3[C@H](CC(C)C)N[C@H](C(=O)NCc1ccccn1)C2	ZINC000049171735	519347342	/nfs/dbraw/zinc/34/73/42/519347342.db2.gz	MPRGOQOIMCXEBA-GOTSBHOMSA-N	0	3	414.553	3.978	40	30	biogenic,in-vitro	HHEBHN
CN1CCN(c2ccc3[nH]c(-c4ccc5c(c4)NC(=C4C=CC(=O)C=C4)N5)nc3c2)CC1	ZINC000022912997	523926943	/nfs/dbraw/zinc/92/69/43/523926943.db2.gz	ADHLSOGCYJHJBG-UHFFFAOYSA-N	0	3	424.508	3.726	40	30		HHEBHN
CN1CCN(c2ccc3nc(-c4ccc5c(c4)NC(=C4C=CC(=O)C=C4)N5)[nH]c3c2)CC1	ZINC000022912997	523926950	/nfs/dbraw/zinc/92/69/50/523926950.db2.gz	ADHLSOGCYJHJBG-UHFFFAOYSA-N	0	3	424.508	3.726	40	30		HHEBHN
Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@@H]5C[C@@H]43)CC2)c1	ZINC000061997762	568711390	/nfs/dbraw/zinc/71/13/90/568711390.db2.gz	WXTWEPYEQCZEHU-WJXVZKHPSA-N	0	3	424.585	3.644	40	30		HHEBHN
C#CCOc1cccc(C[NH+]2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)c1	ZINC000012219330	568994303	/nfs/dbraw/zinc/99/43/03/568994303.db2.gz	KDUHOXJBYPCOAM-UHFFFAOYSA-N	0	3	400.482	3.636	40	30		HHEBHN
Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(C#N)cc3)C(=O)C2ON1c1ccccc1	ZINC000102766201	569041634	/nfs/dbraw/zinc/04/16/34/569041634.db2.gz	JIYBIUMRFZYGLJ-XPWALMASSA-N	0	3	409.445	3.918	40	30		HHEBHN
C=CCNC(=O)[C@@H]1Cc2cn(Cc3cc(C)on3)c3cccc(c23)[C@H](CC(C)C)N1	ZINC000049171890	518921288	/nfs/dbraw/zinc/92/12/88/518921288.db2.gz	GQGIPQCMXUUPNI-SFTDATJTSA-N	0	3	406.530	3.890	40	30	biogenic,in-vitro	HHEBHN
Cc1c(C=NNc2cc(C)nc3cc4c(cc32)OCO4)c(=O)n(-c2ccccc2)n1C	ZINC000005552533	557661452	/nfs/dbraw/zinc/66/14/52/557661452.db2.gz	KDOGTBIAIRUFRD-WYMPLXKRSA-N	0	3	415.453	3.516	40	30		HHEBHN
Cc1c(C=[NH+][N-]c2cc(C)nc3cc4c(cc23)OCO4)c(=O)n(-c2ccccc2)n1C	ZINC000005552533	557661453	/nfs/dbraw/zinc/66/14/53/557661453.db2.gz	KDOGTBIAIRUFRD-WYMPLXKRSA-N	0	3	415.453	3.516	40	30		HHEBHN
CC(=NNC(N)=S)[C@@H](CN(C)C)[C@@H](c1ccccc1)C1COc2ccccc2C1=O	ZINC000104296184	559159946	/nfs/dbraw/zinc/15/99/46/559159946.db2.gz	NDZYRJXOFCMJRG-ZPCWFPIVSA-N	0	3	424.570	3.519	40	30		HHEBHN
N#Cc1ccc(Nc2nc(C3CCN(CCOCc4ccccc4)CC3)cs2)cn1	ZINC000585295427	571305317	/nfs/dbraw/zinc/30/53/17/571305317.db2.gz	ZBMMSCALZQVNNZ-UHFFFAOYSA-N	0	3	419.554	4.550	40	30		HHEBHN
N#CCCN(CCC#N)c1ccc(C=[NH+][N-]c2nc(O)c(-c3ccccc3)s2)cc1	ZINC000001616041	557276381	/nfs/dbraw/zinc/27/63/81/557276381.db2.gz	LRBZWDYZQVUIKM-UVPCLOGWSA-N	0	3	416.510	3.615	40	30		HHEBHN
C#CCOc1ccc(CN2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)cc1	ZINC000019014249	569017696	/nfs/dbraw/zinc/01/76/96/569017696.db2.gz	YUAGMWNYBCVIQY-UHFFFAOYSA-N	0	3	415.419	3.535	40	30		HHEBHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000000864473	559292263	/nfs/dbraw/zinc/29/22/63/559292263.db2.gz	VSELOXKEURSEDR-UZLBHIALSA-N	0	3	422.437	3.661	40	30		HHEBHN
CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)C1c1ccccc1[N+](=O)[O-]	ZINC000408702902	557727483	/nfs/dbraw/zinc/72/74/83/557727483.db2.gz	VAKSKFCGCDOONY-HXUWFJFHSA-N	0	3	424.453	3.988	40	30		HHEBHN
Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@H]5C[C@@H]43)CC2)c1	ZINC000061997763	568711352	/nfs/dbraw/zinc/71/13/52/568711352.db2.gz	WXTWEPYEQCZEHU-SDLUQVTBSA-N	0	3	424.585	3.644	40	30		HHEBHN
C#CCOc1ccc(CN2C[C@@H]3CCC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)cc1OC	ZINC000019215950	569345275	/nfs/dbraw/zinc/34/52/75/569345275.db2.gz	ZFJGSNFRBQEIEP-BKSPAHHJSA-N	0	3	406.526	3.530	40	30		HHEBHN
CC(=NNc1cc(C)nc2cc3c(cc21)OCO3)c1cn(C)n(-c2ccccc2)c1=O	ZINC000005392938	557650324	/nfs/dbraw/zinc/65/03/24/557650324.db2.gz	HRKIWEVPYGRBLN-MYYYXRDXSA-N	0	3	415.453	3.597	40	30		HHEBHN
CC(=[NH+][N-]c1cc(C)nc2cc3c(cc12)OCO3)c1cn(C)n(-c2ccccc2)c1=O	ZINC000005392938	557650326	/nfs/dbraw/zinc/65/03/26/557650326.db2.gz	HRKIWEVPYGRBLN-MYYYXRDXSA-N	0	3	415.453	3.597	40	30		HHEBHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C#N)cc4)[C@H]3C2=O)cc1	ZINC000101178869	559257662	/nfs/dbraw/zinc/25/76/62/559257662.db2.gz	FGUGHJWIDXEWAP-VJBWXMMDSA-N	0	3	409.445	3.918	40	30		HHEBHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)C2c2ccccc2[N+](=O)[O-])cc1	ZINC000019138698	560871935	/nfs/dbraw/zinc/87/19/35/560871935.db2.gz	VSELOXKEURSEDR-OXJNMPFZSA-N	0	3	422.437	3.661	40	30		HHEBHN
C[C@H]1CN(c2nc3ccccc3nc2C(C#N)C(=O)OCc2ccccc2)C[C@H](C)O1	ZINC000005025342	568431412	/nfs/dbraw/zinc/43/14/12/568431412.db2.gz	HJECZIZLOJKVJV-JENIJYKNSA-N	0	3	416.481	3.594	40	30		HHEBHN
Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@]56O[C@@H]6[C@@H]43)CC2)c1	ZINC000061999315	568711261	/nfs/dbraw/zinc/71/12/61/568711261.db2.gz	JMGOFRBCTALPQQ-UHXFHOALSA-N	0	3	424.585	3.642	40	30		HHEBHN
Cc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(C#N)cc3)C(=O)C2ON1c1ccccc1	ZINC000102766198	569041588	/nfs/dbraw/zinc/04/15/88/569041588.db2.gz	JIYBIUMRFZYGLJ-RJGXRXQPSA-N	0	3	409.445	3.918	40	30		HHEBHN