smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(/N=C2/NC(=O)/C(=C\c3cc(C)n(-c4ccncc4)c3C)S2)cc1	ZINC000035087002	520859808	/nfs/dbraw/zinc/85/98/08/520859808.db2.gz	KLFDADYRWULQQS-KGENOOAVSA-N	0	3	418.522	4.779	40	30		HJEBHN
C[C@H]1C[C@H](C)CN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)C1	ZINC000102732205	559152324	/nfs/dbraw/zinc/15/23/24/559152324.db2.gz	QPUWDSOFQLWOQR-LNLFQRSKSA-N	0	3	406.530	4.595	40	30		HJEBHN
Cc1ccc(CCCN2CCC(c3cc(Nc4ccc(C#N)nc4)nc(C)n3)CC2)o1	ZINC000585293828	568746163	/nfs/dbraw/zinc/74/61/63/568746163.db2.gz	ASKDVNVOJAJCSJ-UHFFFAOYSA-N	0	3	416.529	4.509	40	30		HJEBHN
CN(C)Cc1cc(C(=O)/C=C\c2c(Cl)cccc2Cl)cc(C[NH+](C)C)c1[O-]	ZINC000031870597	521890516	/nfs/dbraw/zinc/89/05/16/521890516.db2.gz	BECHAMFDVUEQRA-HJWRWDBZSA-N	0	3	407.341	4.718	40	30		HJEBHN
CNN=C(C)[C@H](CN1CCCCC1)[C@@H](c1ccccc1)C1COc2ccccc2C1=O	ZINC000102963453	559153878	/nfs/dbraw/zinc/15/38/78/559153878.db2.gz	OLGUCFQPMBDUGO-GJXITAJBSA-N	0	3	419.569	4.829	40	30		HJEBHN
Cc1ccc(NC(=S)N(CCN(C)C)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1	ZINC000008686706	560638140	/nfs/dbraw/zinc/63/81/40/560638140.db2.gz	VQDRYCHKANBASD-UHFFFAOYSA-N	0	3	422.598	4.847	40	30		HJEBHN
CCCc1ccc(CN2CCC(c3cc(Nc4ccc(C#N)nc4)nc(C)n3)CC2)o1	ZINC000585295206	568746419	/nfs/dbraw/zinc/74/64/19/568746419.db2.gz	PWSXQYCVACBHDH-UHFFFAOYSA-N	0	3	416.529	4.720	40	30		HJEBHN
C=CCC(C(=O)Nc1ccc(OCCN(C)C)nc1)(c1ccccc1)c1ccccc1	ZINC000225935959	559272576	/nfs/dbraw/zinc/27/25/76/559272576.db2.gz	SFGXRZKGCGQMSM-UHFFFAOYSA-N	0	3	415.537	4.523	40	30		HJEBHN
CCCCC1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O	ZINC000016755234	558805516	/nfs/dbraw/zinc/80/55/16/558805516.db2.gz	BIXPSTMFUQVXIM-RWNPKEDZSA-N	0	3	422.959	4.724	40	30		HJEBHN
Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccncc1	ZINC000409107175	560678649	/nfs/dbraw/zinc/67/86/49/560678649.db2.gz	VNUPRZVNZVLWMN-BHGWPJFGSA-N	0	3	403.364	4.862	40	30		HJEBHN
CCOC(=O)C(C#N)[C@H](c1ccc(N(C)C)cc1)n1c2ccccc2sc1=S	ZINC000005393406	557650591	/nfs/dbraw/zinc/65/05/91/557650591.db2.gz	DKROIYGFNXJCGY-LPHOPBHVSA-N	0	3	411.552	4.791	40	30		HJEBHN
C=CCC1(O)[C@H](C)[C@H](c2ccc(N(C)C)cc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]1C	ZINC000004819853	568420928	/nfs/dbraw/zinc/42/09/28/568420928.db2.gz	LDHOBSYIOMEWGH-OTZYSICVSA-N	0	3	407.602	4.784	40	30		HJEBHN
CC1(C)CC(N=Nc2ccccc2)=C2C(C1)OC([N+](=O)[O-])[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000100929255	559141876	/nfs/dbraw/zinc/14/18/76/559141876.db2.gz	JGJYXNZHKWDLBN-RAORETRNSA-N	0	3	422.441	4.854	40	30		HJEBHN
CC(C)Cc1nc2c(nnn2Cc2ccccc2)c(C(C#N)c2cccc(Cl)c2)n1	ZINC000004985513	560619223	/nfs/dbraw/zinc/61/92/23/560619223.db2.gz	UUPIJQOSSUAJCF-IBGZPJMESA-N	0	3	416.916	4.777	40	30		HJEBHN
C=CCC1(O)[C@@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]1C	ZINC000004819859	568421091	/nfs/dbraw/zinc/42/10/91/568421091.db2.gz	LDHOBSYIOMEWGH-CWGXUGAXSA-N	0	3	407.602	4.784	40	30		HJEBHN
CCOC(=O)C(C#N)[C@H](c1ccc(N(C)C)cc1)n1c2ccccc2sc1=S	ZINC000005393411	557650545	/nfs/dbraw/zinc/65/05/45/557650545.db2.gz	DKROIYGFNXJCGY-APWZRJJASA-N	0	3	411.552	4.791	40	30		HJEBHN
CN(C)Cc1cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc(C[NH+](C)C)c1[O-]	ZINC000006437181	557702318	/nfs/dbraw/zinc/70/23/18/557702318.db2.gz	UASUITUPEOOXOJ-VMPITWQZSA-N	0	3	407.341	4.718	40	30		HJEBHN
Cc1nc(Nc2ccc(C#N)nc2)cc(C2CCN(Cc3ccc4[nH]ccc4c3)CC2)n1	ZINC000585294488	559127119	/nfs/dbraw/zinc/12/71/19/559127119.db2.gz	GTBNVYIARWOGMD-UHFFFAOYSA-N	0	3	423.524	4.656	40	30		HJEBHN
CCCc1nc2c(nnn2Cc2ccccc2)c(C(C#N)c2cccc(Cl)c2)n1	ZINC000004985488	560619238	/nfs/dbraw/zinc/61/92/38/560619238.db2.gz	PWXAHHJPKCUMBI-GOSISDBHSA-N	0	3	402.889	4.531	40	30		HJEBHN
CC[NH+](CC)CC(C)(C)CN1CCC[C@H]1c1csc([N-]c2cc(C#N)ccn2)n1	ZINC000585293823	568746790	/nfs/dbraw/zinc/74/67/90/568746790.db2.gz	ARPJCXXCRIUAOD-IBGZPJMESA-N	0	3	412.607	4.658	40	30		HJEBHN
CN(C)Cc1cc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)cc(C[NH+](C)C)c1[O-]	ZINC000017260356	558826291	/nfs/dbraw/zinc/82/62/91/558826291.db2.gz	RRHGMVUZICVUKN-VURMDHGXSA-N	0	3	407.341	4.718	40	30		HJEBHN
C=CCn1cc2c3c1cccc3[C@H](CC(C)C)N[C@H](C(=O)NCc1ccc(F)cc1)C2	ZINC000049171853	519282339	/nfs/dbraw/zinc/28/23/39/519282339.db2.gz	AOSCLQNHLDUQEK-GOTSBHOMSA-N	0	3	419.544	4.884	40	30	biogenic,in-vitro	HJEBHN
Cc1ccc(CCCN2CCC(c3csc(Nc4cc(C#N)ccn4)n3)CC2)o1	ZINC000585294537	559128624	/nfs/dbraw/zinc/12/86/24/559128624.db2.gz	HYJZQOMILNCSPJ-UHFFFAOYSA-N	0	3	407.543	4.867	40	30		HJEBHN
Cc1nc(Nc2ccc(C#N)nc2)cc(C2CCN(Cc3cc4ccccc4[nH]3)CC2)n1	ZINC000585294740	559137715	/nfs/dbraw/zinc/13/77/15/559137715.db2.gz	IRWNIEKWXXUBLJ-UHFFFAOYSA-N	0	3	423.524	4.656	40	30		HJEBHN
C=CCc1cc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cc(OC)c1OC	ZINC000012345720	568994681	/nfs/dbraw/zinc/99/46/81/568994681.db2.gz	UXUCGNUHFAVIIJ-OFFJZUQKSA-N	0	3	411.517	4.586	40	30		HJEBHN
CN(C)Cc1cc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)cc(C[NH+](C)C)c1[O-]	ZINC000005843065	557677189	/nfs/dbraw/zinc/67/71/89/557677189.db2.gz	UASUITUPEOOXOJ-YVMONPNESA-N	0	3	407.341	4.718	40	30		HJEBHN
N#Cc1ccnc(Nc2nc(C3CCN(CCOCc4ccccc4)CC3)cs2)c1	ZINC000585295372	559142084	/nfs/dbraw/zinc/14/20/84/559142084.db2.gz	XADQWFJUJRRUCT-UHFFFAOYSA-N	0	3	419.554	4.550	40	30		HJEBHN
Cc1cccc(NC(=S)N(CCN(C)C)Cc2cc3cccc(C)c3[nH]c2=O)c1	ZINC000008686775	560638126	/nfs/dbraw/zinc/63/81/26/560638126.db2.gz	TYVAQNSYKMAOLI-UHFFFAOYSA-N	0	3	408.571	4.538	40	30		HJEBHN
Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(C)n1-c1ccncc1	ZINC000409401541	560720863	/nfs/dbraw/zinc/72/08/63/560720863.db2.gz	BECKUZNOBVVCCR-UHFFFAOYSA-N	0	3	419.488	4.748	40	30		HJEBHN
C=CCC1(O)[C@@H](C)[C@H](c2ccc(N(C)C)cc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]1C	ZINC000004819854	568420934	/nfs/dbraw/zinc/42/09/34/568420934.db2.gz	LDHOBSYIOMEWGH-KDTOMHBFSA-N	0	3	407.602	4.784	40	30		HJEBHN
CCCc1nc2c(nnn2Cc2ccccc2)c(C(C#N)c2cccc(Cl)c2)n1	ZINC000004985484	560619188	/nfs/dbraw/zinc/61/91/88/560619188.db2.gz	PWXAHHJPKCUMBI-SFHVURJKSA-N	0	3	402.889	4.531	40	30		HJEBHN
CN(C)Cc1cc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc(C[NH+](C)C)c1[O-]	ZINC000003985977	557504208	/nfs/dbraw/zinc/50/42/08/557504208.db2.gz	RRHGMVUZICVUKN-SOFGYWHQSA-N	0	3	407.341	4.718	40	30		HJEBHN
CN(C)Cc1cc(C(=O)/C=C/c2c(Cl)cccc2Cl)cc(C[NH+](C)C)c1[O-]	ZINC000016958808	558810321	/nfs/dbraw/zinc/81/03/21/558810321.db2.gz	BECHAMFDVUEQRA-CMDGGOBGSA-N	0	3	407.341	4.718	40	30		HJEBHN
CC1(C)CC(N=Nc2ccccc2)=C2C(C1)OC([N+](=O)[O-])[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000100929258	559141887	/nfs/dbraw/zinc/14/18/87/559141887.db2.gz	JGJYXNZHKWDLBN-MFYJFPICSA-N	0	3	422.441	4.854	40	30		HJEBHN
C=CCn1cc(CN2CCC(NC(C)=O)(c3ccccc3F)CC2)c2ccccc21	ZINC000012344273	568994748	/nfs/dbraw/zinc/99/47/48/568994748.db2.gz	FSGKRBZPIRUPNZ-UHFFFAOYSA-N	0	3	405.517	4.594	40	30		HJEBHN
C=CCC1(O)[C@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]1C	ZINC000004819857	568420948	/nfs/dbraw/zinc/42/09/48/568420948.db2.gz	LDHOBSYIOMEWGH-NWDWJUPMSA-N	0	3	407.602	4.784	40	30		HJEBHN
CCCCc1ncc(CN2CCC(c3cccc(Nc4ccc(C#N)nc4)n3)CC2)[nH]1	ZINC000585294369	568746382	/nfs/dbraw/zinc/74/63/82/568746382.db2.gz	QJABNOTWBATNLZ-UHFFFAOYSA-N	0	3	415.545	4.537	40	30		HJEBHN
CC#CCn1cc2c3c1cccc3[C@H](CC(C)C)N[C@H](C(=O)NCc1cccs1)C2	ZINC000049171743	519347350	/nfs/dbraw/zinc/34/73/50/519347350.db2.gz	GCNGHCWRNQCZEL-VXKWHMMOSA-N	0	3	419.594	4.644	40	30	biogenic,in-vitro	HJEBHN
CCCCCCCCNCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1	ZINC000105346398	560738276	/nfs/dbraw/zinc/73/82/76/560738276.db2.gz	DRVGMVAZJSFJEE-UHFFFAOYSA-N	0	3	401.503	4.970	40	30		HJEBHN
COc1cccc(CSc2nc3c(c(-c4ccsc4)c2C#N)CN(C)CC3)c1	ZINC000020528349	568625824	/nfs/dbraw/zinc/62/58/24/568625824.db2.gz	WYJAUEFIXAZLSX-UHFFFAOYSA-N	0	3	407.564	4.971	40	30		HJEBHN
Cn1cc(CN2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)c2ccccc21	ZINC000585295131	568746449	/nfs/dbraw/zinc/74/64/49/568746449.db2.gz	MSGABKOURLUWOI-XMMPIXPASA-N	0	3	408.509	4.921	40	30		HJEBHN
CC1(C)CC(N=Nc2ccccc2)=C2C(C1)OC([N+](=O)[O-])[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000100929253	559141881	/nfs/dbraw/zinc/14/18/81/559141881.db2.gz	JGJYXNZHKWDLBN-JITJBMDESA-N	0	3	422.441	4.854	40	30		HJEBHN
Cc1ccc(CCCN2CCCC[C@@H]2c2cc(Nc3ccc(C#N)nc3)nc(C)n2)o1	ZINC000585293406	568746407	/nfs/dbraw/zinc/74/64/07/568746407.db2.gz	GXSGJOVMUPKTLM-HSZRJFAPSA-N	0	3	416.529	4.857	40	30		HJEBHN
CC#CCn1cc2c3c1cccc3[C@H](CC(C)C)N[C@H](C(=O)NCc1ccccc1)C2	ZINC000049171701	519346671	/nfs/dbraw/zinc/34/66/71/519346671.db2.gz	YWBNCCMARNFVJB-ZEQRLZLVSA-N	0	3	413.565	4.583	40	30	biogenic,in-vitro	HJEBHN
N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4cc5ccccc5o4)C2)C3)c1	ZINC000005397050	291280229	/nfs/dbraw/zinc/28/02/29/291280229.db2.gz	OXAAJKVAIIALIX-SIKLNZKXSA-N	0	3	421.500	4.752	40	30	biogenic,in-vitro	HJEBHN
CCOC(=O)C(C#N)[C@@H](c1ccc(N(C)C)cc1)n1c2ccccc2sc1=S	ZINC000005393410	557650551	/nfs/dbraw/zinc/65/05/51/557650551.db2.gz	DKROIYGFNXJCGY-VQIMIIECSA-N	0	3	411.552	4.791	40	30		HJEBHN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(/C=N/CCc2ccccc2)cc1	ZINC000003085833	568727629	/nfs/dbraw/zinc/72/76/29/568727629.db2.gz	VWJPBBOVDXCBAU-IPEPUNFFSA-N	0	3	400.434	4.875	40	30		HJEBHN
Cc1ccc(CCCN2CCCC[C@H]2c2cc(Nc3ccc(C#N)nc3)nc(C)n2)o1	ZINC000585293407	568746417	/nfs/dbraw/zinc/74/64/17/568746417.db2.gz	GXSGJOVMUPKTLM-QHCPKHFHSA-N	0	3	416.529	4.857	40	30		HJEBHN
CC[NH+](CC)CC(C)(C)CN1CCC[C@@H]1c1csc([N-]c2cc(C#N)ccn2)n1	ZINC000585293827	568746769	/nfs/dbraw/zinc/74/67/69/568746769.db2.gz	ARPJCXXCRIUAOD-LJQANCHMSA-N	0	3	412.607	4.658	40	30		HJEBHN
CN(C)Cc1cc(C(=O)/C=C\c2ccc(Cl)cc2Cl)cc(C[NH+](C)C)c1[O-]	ZINC000031870596	521888430	/nfs/dbraw/zinc/88/84/30/521888430.db2.gz	CVOYMYCDKPITPZ-VURMDHGXSA-N	0	3	407.341	4.718	40	30		HJEBHN
COc1ccc(NC(=O)C(C#N)Cc2cc3ccc(C)cc3nc2Cl)c(OC)c1	ZINC000000883048	560540054	/nfs/dbraw/zinc/54/00/54/560540054.db2.gz	AEYRKSWJFMRVLA-INIZCTEOSA-N	0	3	409.873	4.535	40	30		HJEBHN
C[C@H]1C[C@H](C)CN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)C1	ZINC000005071353	568432185	/nfs/dbraw/zinc/43/21/85/568432185.db2.gz	QPUWDSOFQLWOQR-JENIJYKNSA-N	0	3	406.530	4.595	40	30		HJEBHN
COc1ccc(NC(=O)C(C#N)Cc2cc3ccc(C)cc3nc2Cl)c(OC)c1	ZINC000000883049	560540085	/nfs/dbraw/zinc/54/00/85/560540085.db2.gz	AEYRKSWJFMRVLA-MRXNPFEDSA-N	0	3	409.873	4.535	40	30		HJEBHN
Cc1ccc(NC(=S)N(CCN(C)C)Cc2cc3cccc(C)c3[nH]c2=O)cc1	ZINC000008685784	560638114	/nfs/dbraw/zinc/63/81/14/560638114.db2.gz	WCODYZYNBOBXPY-UHFFFAOYSA-N	0	3	408.571	4.538	40	30		HJEBHN
C=CCN1C[C@H](C)N([C@@H](c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)C[C@H]1C	ZINC000019365698	560885590	/nfs/dbraw/zinc/88/55/90/560885590.db2.gz	WGIDFDFAOQVAHY-UFPGJGBJSA-N	0	3	419.613	4.839	40	30	in-vitro	HJEBHN
C=CCc1cccc(C[NH+]2CCC3(CC2)Nc2cc(OC)ccc2-n2cccc23)c1[O-]	ZINC000057719960	569053759	/nfs/dbraw/zinc/05/37/59/569053759.db2.gz	UFMJFGABFCJNIJ-UHFFFAOYSA-N	0	3	415.537	4.837	40	30		HJEBHN
CN(C)Cc1cc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc(C[NH+](C)C)c1[O-]	ZINC000016958807	558810361	/nfs/dbraw/zinc/81/03/61/558810361.db2.gz	CVOYMYCDKPITPZ-SOFGYWHQSA-N	0	3	407.341	4.718	40	30		HJEBHN
C=CCSc1nnc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)s1	ZINC000222911329	559069981	/nfs/dbraw/zinc/06/99/81/559069981.db2.gz	RANLBFMZFXESKG-UHFFFAOYSA-N	0	3	422.579	4.627	40	30		HJEBHN
CC1(C)CC(N=Nc2ccccc2)=C2C(C1)OC([N+](=O)[O-])[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000100929257	559141919	/nfs/dbraw/zinc/14/19/19/559141919.db2.gz	JGJYXNZHKWDLBN-YIOZOHNNSA-N	0	3	422.441	4.854	40	30		HJEBHN
C=CCn1cc2c3c1cccc3[C@H](CC(C)C)N[C@H](C(=O)NCc1ccccc1)C2	ZINC000049171839	519283407	/nfs/dbraw/zinc/28/34/07/519283407.db2.gz	SWNDSVMYLCSNQO-GOTSBHOMSA-N	0	3	401.554	4.745	40	30	biogenic,in-vitro	HJEBHN
N#Cc1cccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(Cc3cc4ccccc4o3)C2)c1	ZINC000005413608	291280196	/nfs/dbraw/zinc/28/01/96/291280196.db2.gz	WYFITHYNDGARDU-SIKLNZKXSA-N	0	3	421.500	4.752	40	30	biogenic,in-vitro	HJEBHN
CCOC(=O)C(C#N)[C@@H](c1ccc(N(C)C)cc1)n1c2ccccc2sc1=S	ZINC000005393405	557650519	/nfs/dbraw/zinc/65/05/19/557650519.db2.gz	DKROIYGFNXJCGY-QFBILLFUSA-N	0	3	411.552	4.791	40	30		HJEBHN
N#Cc1ccc(Nc2cccc(C3CCN(Cc4cc5ccccc5[nH]4)CC3)n2)cn1	ZINC000585294486	568745907	/nfs/dbraw/zinc/74/59/07/568745907.db2.gz	RYOCWWGLAWEJHB-UHFFFAOYSA-N	0	3	408.509	4.953	40	30		HJEBHN
CCCCC1S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N(c2ccccc2)C1=O	ZINC000016755230	558805510	/nfs/dbraw/zinc/80/55/10/558805510.db2.gz	BIXPSTMFUQVXIM-JLUOLNIDSA-N	0	3	422.959	4.724	40	30		HJEBHN
Oc1ccccc1/C=N/CC[C@H](S)CC[C@H](S)CC/N=C/c1ccccc1O	ZINC000104373716	559160760	/nfs/dbraw/zinc/16/07/60/559160760.db2.gz	IXZLLZFKFPNVAK-GTWDFLEGSA-N	0	3	416.612	4.793	40	30		HJEBHN
CC(C)Cc1nc2c(nnn2Cc2ccccc2)c(C(C#N)c2cccc(Cl)c2)n1	ZINC000004985517	560619234	/nfs/dbraw/zinc/61/92/34/560619234.db2.gz	UUPIJQOSSUAJCF-LJQANCHMSA-N	0	3	416.916	4.777	40	30		HJEBHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000022078486	524054864	/nfs/dbraw/zinc/05/48/64/524054864.db2.gz	BCYVUTLXQQFXAF-QFIPXVFZSA-N	0	3	420.553	4.514	40	30		HJEBHN
CNN=C(C)[C@H](CN1CCCCC1)[C@@H](c1ccccc1)C1COc2ccccc2C1=O	ZINC000104296010	559159995	/nfs/dbraw/zinc/15/99/95/559159995.db2.gz	OLGUCFQPMBDUGO-RBSZXLRXSA-N	0	3	419.569	4.829	40	30		HJEBHN
O=[N+]([O-])c1ccc(N2CCNCC2)c(/C=N/c2ccc3c(c2)oc2ccccc23)c1	ZINC000100475926	560724741	/nfs/dbraw/zinc/72/47/41/560724741.db2.gz	VDGVPQIBOODJHB-MFKUBSTISA-N	0	3	400.438	4.654	40	30		HJEBHN
COc1cccc(CSc2nc3c(c(-c4cccs4)c2C#N)CN(C)CC3)c1	ZINC000020528347	568625741	/nfs/dbraw/zinc/62/57/41/568625741.db2.gz	FRRPFJQRNHRTCX-UHFFFAOYSA-N	0	3	407.564	4.971	40	30		HJEBHN
CNN=C(C)[C@@H](CN1CCCCC1)[C@@H](c1ccccc1)C1COc2ccccc2C1=O	ZINC000102963450	559153869	/nfs/dbraw/zinc/15/38/69/559153869.db2.gz	OLGUCFQPMBDUGO-FHBAJMKLSA-N	0	3	419.569	4.829	40	30		HJEBHN
CNN=C(C)[C@@H](CN1CCCCC1)[C@@H](c1ccccc1)C1COc2ccccc2C1=O	ZINC000104296005	559159951	/nfs/dbraw/zinc/15/99/51/559159951.db2.gz	OLGUCFQPMBDUGO-GOSUGCIDSA-N	0	3	419.569	4.829	40	30		HJEBHN
Cn1cc(CN2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)c2ccccc21	ZINC000585295130	568746312	/nfs/dbraw/zinc/74/63/12/568746312.db2.gz	MSGABKOURLUWOI-DEOSSOPVSA-N	0	3	408.509	4.921	40	30		HJEBHN
Oc1ccccc1/C=N\CC[C@H](S)CC[C@H](S)CC/N=C\c1ccccc1O	ZINC000104373712	559160743	/nfs/dbraw/zinc/16/07/43/559160743.db2.gz	IXZLLZFKFPNVAK-IUBUZBQZSA-N	0	3	416.612	4.793	40	30		HJEBHN
C#CCOc1cccc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)c1	ZINC000019565052	569018211	/nfs/dbraw/zinc/01/82/11/569018211.db2.gz	IZLZOUNNRSVVKR-UHFFFAOYSA-N	0	3	411.452	4.860	40	30		HJEBHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000022078490	524055120	/nfs/dbraw/zinc/05/51/20/524055120.db2.gz	BCYVUTLXQQFXAF-JOCHJYFZSA-N	0	3	420.553	4.514	40	30		HJEBHN
CC1(C)C=C(CN2CCCCC2)c2cccc3c2N1C(=O)/C3=N/c1ccc(F)cc1	ZINC000575473171	569029985	/nfs/dbraw/zinc/02/99/85/569029985.db2.gz	KROJIZYNQFQWKJ-HPNDGRJYSA-N	0	3	403.501	4.955	40	30		HJEBHN
Cc1cccc(NC(=S)N(CCN(C)C)Cc2cc3cc(C)cc(C)c3[nH]c2=O)c1	ZINC000008686782	560638079	/nfs/dbraw/zinc/63/80/79/560638079.db2.gz	ZADSNUOSVPGFAH-UHFFFAOYSA-N	0	3	422.598	4.847	40	30		HJEBHN