smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(NN=C(Cl)c2ccccc2)cc1	ZINC000005052503	170061864	/nfs/dbraw/zinc/06/18/64/170061864.db2.gz	JFDRODAOMXUGGM-SSZFMOIBSA-N	0	1	275.695	3.607	40	30		CHEBMN
CCCCCCCNC1=C(O)C(=O)CC(C)(C)C1	ZINC000101461204	528134291	/nfs/dbraw/zinc/13/42/91/528134291.db2.gz	JEIMIEWSZWMUJT-UHFFFAOYSA-N	0	1	253.386	3.705	40	30		CHEBMN
C[NH+]1CCC(/C(=N\[O-])c2ccccc2)(c2ccccc2)CC1	ZINC000017140516	567874929	/nfs/dbraw/zinc/87/49/29/567874929.db2.gz	RXOFXKTWSFNTEW-ZZEZOPTASA-N	0	1	294.398	3.529	40	30		CHEBMN
CCCCc1n[nH]c2c1/C(=N\O)C[C@H](c1ccccc1)C2	ZINC000100551884	567886527	/nfs/dbraw/zinc/88/65/27/567886527.db2.gz	CISOEJCXHMYFBI-SFKFPXOQSA-N	0	1	283.375	3.661	40	30		CHEBMN
O/N=C\c1cc(Cl)ccc1OCc1ccccc1F	ZINC000100250097	230391746	/nfs/dbraw/zinc/39/17/46/230391746.db2.gz	KEKBECBIDVNXRO-IUXPMGMMSA-N	0	1	279.698	3.866	40	30		CHEBMN
O=C(CC=Nc1ccc(Cl)cn1)c1ccccc1	ZINC000005899513	170152082	/nfs/dbraw/zinc/15/20/82/170152082.db2.gz	MYURRXYKACSVNU-HJWRWDBZSA-N	0	1	258.708	3.544	40	30		CHEBMN
C=CCNCc1cc(Cl)cc(Cl)c1OCC	ZINC000008253414	170327253	/nfs/dbraw/zinc/32/72/53/170327253.db2.gz	OJXWONQYIXQSFJ-UHFFFAOYSA-N	0	1	260.164	3.668	40	30		CHEBMN
Cc1cc(N=CCC(=O)c2ccc3ccccc3c2)on1	ZINC000006922303	525044322	/nfs/dbraw/zinc/04/43/22/525044322.db2.gz	ZBRMQIPYDZKIKC-HJWRWDBZSA-N	0	1	278.311	3.945	40	30		CHEBMN
Cc1cc([N+](=O)[O-])c(-c2ccc(/C=N/O)o2)cc1Cl	ZINC000070461524	566865012	/nfs/dbraw/zinc/86/50/12/566865012.db2.gz	YYGZCFLRNGCDSN-MKMNVTDBSA-N	0	1	280.667	3.625	40	30		CHEBMN
CCOC(=O)c1ccccc1N(C)/C=N/c1ccccc1	ZINC000084400812	566883273	/nfs/dbraw/zinc/88/32/73/566883273.db2.gz	AKSKUKPGUUXVGG-QGOAFFKASA-N	0	1	282.343	3.660	40	30		CHEBMN
Cc1cccc(C=NNc2cc(C)c3ccccc3n2)n1	ZINC000017127126	567874887	/nfs/dbraw/zinc/87/48/87/567874887.db2.gz	BXKZAFZGVXGAOR-WQRHYEAKSA-N	0	1	276.343	3.693	40	30		CHEBMN
CC(N=Nc1ccccc1C(F)(F)F)c1ccc[nH]1	ZINC000057407782	567894875	/nfs/dbraw/zinc/89/48/75/567894875.db2.gz	PUTUHGAVNIECLY-GIJQJNRQSA-N	0	1	267.254	3.870	40	30		CHEBMN
C=CCOc1ccccc1C=NNc1nc2ccccc2[nH]1	ZINC000057609329	567948213	/nfs/dbraw/zinc/94/82/13/567948213.db2.gz	ZOHWRSHDUQIBJN-LDADJPATSA-N	0	1	292.342	3.574	40	30		CHEBMN
CCC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1O	ZINC000005482117	170104066	/nfs/dbraw/zinc/10/40/66/170104066.db2.gz	ZBZUIUSBQCLGOF-OBGWFSINSA-N	0	1	299.330	3.835	40	30		CHEBMN
CC(O)=C1c2ccccc2[C@H](c2ccccc2)C1=O	ZINC000005423703	519370033	/nfs/dbraw/zinc/37/00/33/519370033.db2.gz	MJISEYLUTPGVJF-INIZCTEOSA-N	0	1	250.297	3.690	40	30		CHEBMN
CC(=NN=c1[nH]c2ccccc2o1)c1ccccc1	ZINC000253476508	566960831	/nfs/dbraw/zinc/96/08/31/566960831.db2.gz	XJUBEKUCHDPMEX-UHFFFAOYSA-N	0	1	251.289	3.664	40	30		CHEBMN
CC(=NN=c1[nH]c2ccccc2n1C)c1ccc(C)cc1	ZINC000408645704	567859233	/nfs/dbraw/zinc/85/92/33/567859233.db2.gz	ALWNYBGKGOSZGZ-UYRXBGFRSA-N	0	1	278.359	3.718	40	30		CHEBMN
O=[N+]([O-])c1cccc(/C=N\c2cccc(Cl)c2O)c1	ZINC000104099427	567915886	/nfs/dbraw/zinc/91/58/86/567915886.db2.gz	YSWSOBKWPAGWGV-NVNXTCNLSA-N	0	1	276.679	3.704	40	30		CHEBMN
CCn1c2ccccc2nc1N=NCc1ccccc1OC	ZINC000408692805	570217231	/nfs/dbraw/zinc/21/72/31/570217231.db2.gz	VWLOZOHSJYSGGW-LDADJPATSA-N	0	1	294.358	3.511	40	30		CHEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1ccccc1OC	ZINC000408692805	570217234	/nfs/dbraw/zinc/21/72/34/570217234.db2.gz	VWLOZOHSJYSGGW-LDADJPATSA-N	0	1	294.358	3.511	40	30		CHEBMN
O=[N+]([O-])c1ccc(N=NCc2c[nH]c3ccccc23)cc1	ZINC000096991571	185149476	/nfs/dbraw/zinc/14/94/76/185149476.db2.gz	SZXLLFMXEKZWSA-YVLHZVERSA-N	0	1	280.287	3.522	40	30		CHEBMN
S=c1[nH]nc(C2CCCCC2)n1N=Cc1ccccc1	ZINC000001242838	169692446	/nfs/dbraw/zinc/69/24/46/169692446.db2.gz	GVAFEYZTHREACJ-WJDWOHSUSA-N	0	1	286.404	3.871	40	30		CHEBMN
COc1cccc(/C=N/O)c1OCc1ccc(Cl)cc1	ZINC000103851228	533390280	/nfs/dbraw/zinc/39/02/80/533390280.db2.gz	BADAWWJXNXIIOF-RQZCQDPDSA-N	0	1	291.734	3.736	40	30		CHEBMN
CCN(CC)CC[C@@](Br)(C#N)c1ccccc1	ZINC000006382367	170196705	/nfs/dbraw/zinc/19/67/05/170196705.db2.gz	RVTLYOXZNZCUNW-CQSZACIVSA-N	0	1	295.224	3.532	40	30		CHEBMN
CC(C)(C)c1cc(N=CCC(=O)c2ccc(F)cc2)no1	ZINC000005726724	567859695	/nfs/dbraw/zinc/85/96/95/567859695.db2.gz	RUSACFVBSAGIRS-HJWRWDBZSA-N	0	1	288.322	3.920	40	30		CHEBMN
COc1ccc(C(C)=NN=c2[nH]c3ccccc3o2)cc1	ZINC000016737598	567909197	/nfs/dbraw/zinc/90/91/97/567909197.db2.gz	ZTBYZRSEUYERRP-WOJGMQOQSA-N	0	1	281.315	3.673	40	30		CHEBMN
CN(C)c1ccc(/C=N/NCc2ccccc2Cl)cc1	ZINC000008811503	567938946	/nfs/dbraw/zinc/93/89/46/567938946.db2.gz	DKLIHVQKAVXEIW-WOJGMQOQSA-N	0	1	287.794	3.530	40	30		CHEBMN
O=C(C=Cc1ccccc1)CC(=O)C=Cc1ccccc1	ZINC000031872164	567885254	/nfs/dbraw/zinc/88/52/54/567885254.db2.gz	UXLWOYFDJVFCBR-XSYHWHKQSA-N	0	1	276.335	3.942	40	30		CHEBMN
CCCCCCCCCCCC[N@@H+](C)CC(=O)[O-]	ZINC000085479395	179080425	/nfs/dbraw/zinc/08/04/25/179080425.db2.gz	BMYCCWYAFNPAQC-UHFFFAOYSA-N	0	1	257.418	3.924	40	30		CHEBMN
CC(=NN=c1[nH]c2ccccc2[nH]1)c1ccc(C)cc1	ZINC000005070670	170063945	/nfs/dbraw/zinc/06/39/45/170063945.db2.gz	MRJCJGZEDZAIIE-XDHOZWIPSA-N	0	1	264.332	3.707	40	30		CHEBMN
Cc1cc2sc(NN=Cc3cccnc3)nc2c(C)c1	ZINC000006484414	170205083	/nfs/dbraw/zinc/20/50/83/170205083.db2.gz	MUPYKUSAEVRRDP-RQZCQDPDSA-N	0	1	282.372	3.754	40	30		CHEBMN
CCCN1CCCC[C@@H]1C(=O)Nc1c(C)ccc(O)c1C	ZINC000038683574	174152028	/nfs/dbraw/zinc/15/20/28/174152028.db2.gz	IXOVDWXTIIYVOJ-CQSZACIVSA-N	0	1	290.407	3.862	40	30	world	CHEBMN
CCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(O)c(C)c1	ZINC000055134827	520179565	/nfs/dbraw/zinc/17/95/65/520179565.db2.gz	LMJLZORZAMKCPR-OBGWFSINSA-N	0	1	299.330	3.835	40	30		CHEBMN
N#Cc1ccccc1CSc1nc(-c2ccccc2)n[nH]1	ZINC000007006074	567079361	/nfs/dbraw/zinc/07/93/61/567079361.db2.gz	ZIALCHCHBIHKSH-UHFFFAOYSA-N	0	1	292.367	3.636	40	30		CHEBMN
N#Cc1c(NC(=O)c2ccccc2O)sc2ccccc12	ZINC000059483649	567193153	/nfs/dbraw/zinc/19/31/53/567193153.db2.gz	MRLACSHBJKOXOK-UHFFFAOYSA-N	0	1	294.335	3.731	40	30		CHEBMN
CCOc1ccc(C=Nc2ccc3nc[nH]c3c2)cc1	ZINC000051075473	567893975	/nfs/dbraw/zinc/89/39/75/567893975.db2.gz	ZEDWWMYZMYGXKC-LICLKQGHSA-N	0	1	265.316	3.712	40	30		CHEBMN
CC(=CN=Nc1ccc(C)cc1)NNc1ccccc1	ZINC000006212372	170182850	/nfs/dbraw/zinc/18/28/50/170182850.db2.gz	DTVKCVHJAUAIRW-XFDFJKANSA-N	0	1	266.348	3.881	40	30		CHEBMN
Cn1cc(C=NNc2nc3ccccc3[nH]2)c2ccccc21	ZINC000040510750	327121223	/nfs/dbraw/zinc/12/12/23/327121223.db2.gz	LMAXKUWVWNIUSD-VCHYOVAHSA-N	0	1	289.342	3.501	40	30		CHEBMN
CCOCCC(=NC(C)(C)C)Nc1ccccc1C	ZINC000005499839	521672087	/nfs/dbraw/zinc/67/20/87/521672087.db2.gz	DTULWWLOWOUSFK-UHFFFAOYSA-N	0	1	262.397	3.840	40	30		CHEBMN
CC(C)C(=O)C=C1Nc2ccccc2NC1=CC(=O)C(C)C	ZINC000004235774	567856171	/nfs/dbraw/zinc/85/61/71/567856171.db2.gz	HCIXNLNBQMWXTM-VULZFCBJSA-N	0	1	298.386	3.742	40	30		CHEBMN
N#Cc1ccc(CSc2nc(-c3ccccc3)n[nH]2)cc1	ZINC000005210095	567859566	/nfs/dbraw/zinc/85/95/66/567859566.db2.gz	YXSXZMCSVFURNT-UHFFFAOYSA-N	0	1	292.367	3.636	40	30		CHEBMN
Clc1ccc(CN=Nc2ccccn2)c(Cl)c1	ZINC000031667582	567885088	/nfs/dbraw/zinc/88/50/88/567885088.db2.gz	SOPAGLVQXXLAHS-PXNMLYILSA-N	0	1	266.131	3.834	40	30		CHEBMN
Cc1ccccc1C=Nn1c(=S)[nH]nc1-c1ccccc1	ZINC000001455422	567931504	/nfs/dbraw/zinc/93/15/04/567931504.db2.gz	DYVNDNGSWTXBSD-BOPFTXTBSA-N	0	1	294.383	3.798	40	30		CHEBMN
C=CCOc1ccc(CN=Nc2nc3ccccc3[nH]2)cc1	ZINC000058652028	567956243	/nfs/dbraw/zinc/95/62/43/567956243.db2.gz	DPPIPMYWHIHPHK-LDADJPATSA-N	0	1	292.342	3.574	40	30		CHEBMN
CCc1ccc(C(C)=NN=c2[nH]c3ccccc3[nH]2)cc1	ZINC000059417094	567956275	/nfs/dbraw/zinc/95/62/75/567956275.db2.gz	OQJBQNUFSDUMJR-NDENLUEZSA-N	0	1	278.359	3.961	40	30		CHEBMN
Fc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1	ZINC000004063503	230368199	/nfs/dbraw/zinc/36/81/99/230368199.db2.gz	FIQZKWPZUNMPKC-FBCYGCLPSA-N	0	1	283.228	3.686	40	30		CHEBMN
Cc1ccc(CN=Nc2cccc3cccnc32)cc1	ZINC000004713019	170003387	/nfs/dbraw/zinc/00/33/87/170003387.db2.gz	YXCQFBQFZSCMEB-XDHOZWIPSA-N	0	1	261.328	3.989	40	30		CHEBMN
Cc1ccc2nc(S[C@@H]3/C(=N\O)[C@H]4CC[C@@H]3C4)[nH]c2c1	ZINC000100965078	534361400	/nfs/dbraw/zinc/36/14/00/534361400.db2.gz	HQXBQWFDZCXEJQ-ARGQTQPRSA-N	0	1	287.388	3.592	40	30		CHEBMN
O=C(/C=C/c1c[nH]c2ccccc12)c1ccccc1O	ZINC000016952670	567874334	/nfs/dbraw/zinc/87/43/34/567874334.db2.gz	BNYXDAPVMGMJTA-MDZDMXLPSA-N	0	1	263.296	3.770	40	30		CHEBMN
O=C(C=Cc1ccccc1)CC(=O)C=Cc1ccccc1	ZINC000031872166	567885261	/nfs/dbraw/zinc/88/52/61/567885261.db2.gz	UXLWOYFDJVFCBR-HEEUSZRZSA-N	0	1	276.335	3.942	40	30		CHEBMN
CCCCc1n[nH]c2c1/C(=N\O)C[C@@H](c1ccccc1)C2	ZINC000100551882	567886207	/nfs/dbraw/zinc/88/62/07/567886207.db2.gz	CISOEJCXHMYFBI-BPHPCYGNSA-N	0	1	283.375	3.661	40	30		CHEBMN
c1[nH]c2ccccc2c1CN=Nc1nc2ccccc2o1	ZINC000004863314	170032042	/nfs/dbraw/zinc/03/20/42/170032042.db2.gz	HUVARDVZCXUVNV-VCHYOVAHSA-N	0	1	276.299	3.755	40	30		CHEBMN
CC(C)c1n[nH]c(=S)n1N=Cc1c(F)cccc1Cl	ZINC000005841833	170146093	/nfs/dbraw/zinc/14/60/93/170146093.db2.gz	URRNWLVSRXNDGU-GIDUJCDVSA-N	0	1	298.774	3.739	40	30		CHEBMN
COc1ccccc1C=NNc1ccc(C(F)(F)F)cn1	ZINC000006622455	170219985	/nfs/dbraw/zinc/21/99/85/170219985.db2.gz	VECYTNLCTOEJHK-UFWORHAWSA-N	0	1	295.264	3.555	40	30		CHEBMN
O=[N+]([O-])c1ccc(NN=C(Cl)c2ccccc2)cc1	ZINC000015444198	567870623	/nfs/dbraw/zinc/87/06/23/567870623.db2.gz	JFDRODAOMXUGGM-DTQAZKPQSA-N	0	1	275.695	3.607	40	30		CHEBMN
CC(O)=C1c2ccccc2[C@@H](c2ccccc2)C1=O	ZINC000005051911	170061177	/nfs/dbraw/zinc/06/11/77/170061177.db2.gz	MJISEYLUTPGVJF-MRXNPFEDSA-N	0	1	250.297	3.690	40	30		CHEBMN
Clc1cccc(Cl)c1N=NCc1ccccn1	ZINC000006283668	170188306	/nfs/dbraw/zinc/18/83/06/170188306.db2.gz	LKFANOJAMSVZNI-LZYBPNLTSA-N	0	1	266.131	3.834	40	30		CHEBMN
Cc1ccc(C=NN=c2[nH]c(-c3ccccc3)c(C)s2)o1	ZINC000059193780	262387001	/nfs/dbraw/zinc/38/70/01/262387001.db2.gz	OVUJMNVQPXNRHK-LICLKQGHSA-N	0	1	297.383	3.888	40	30		CHEBMN
Cc1cccc(C(=O)N2C=Cc3ccccc3C2C#N)c1	ZINC000003119095	567160208	/nfs/dbraw/zinc/16/02/08/567160208.db2.gz	HYHNHEHVUSUQRN-KRWDZBQOSA-N	0	1	274.323	3.686	40	30		CHEBMN
C(=[NH+][N-]c1nc2ccccc2s1)c1ccccc1	ZINC000031719485	567885059	/nfs/dbraw/zinc/88/50/59/567885059.db2.gz	WVRVVJMZWWJYEM-GDNBJRDFSA-N	0	1	253.330	3.742	40	30		CHEBMN
C(=NNc1nc2ccccc2s1)c1ccccc1	ZINC000031719485	567885060	/nfs/dbraw/zinc/88/50/60/567885060.db2.gz	WVRVVJMZWWJYEM-GDNBJRDFSA-N	0	1	253.330	3.742	40	30		CHEBMN
CCCCCCCCCCN1CCN(C(=O)OCC)CC1	ZINC000100312030	567912868	/nfs/dbraw/zinc/91/28/68/567912868.db2.gz	JVOVZRZWICUORT-UHFFFAOYSA-N	0	1	298.471	3.901	40	30		CHEBMN
CCn1c2ccccc2nc1N=NCc1ccc(F)cc1	ZINC000408692225	570217222	/nfs/dbraw/zinc/21/72/22/570217222.db2.gz	HRABOKXPBSRRDN-WOJGMQOQSA-N	0	1	282.322	3.641	40	30		CHEBMN
O/N=C\c1cc(Cl)ccc1OCc1cccc(F)c1	ZINC000100250093	230391827	/nfs/dbraw/zinc/39/18/27/230391827.db2.gz	LTDICTHBQNQUAP-IUXPMGMMSA-N	0	1	279.698	3.866	40	30		CHEBMN
CCN(CC)CC[C@](Br)(C#N)c1ccccc1	ZINC000001577532	567838378	/nfs/dbraw/zinc/83/83/78/567838378.db2.gz	RVTLYOXZNZCUNW-AWEZNQCLSA-N	0	1	295.224	3.532	40	30		CHEBMN
CCOc1ccc(C(C)=NN=c2[nH]c3ccccc3[nH]2)cc1	ZINC000034877688	567834568	/nfs/dbraw/zinc/83/45/68/567834568.db2.gz	ZYWFRTDZRJCGLU-NDENLUEZSA-N	0	1	294.358	3.798	40	30		CHEBMN
COc1ccc(C(=O)/C=C\c2c[nH]c3ccccc23)c(O)c1	ZINC000005767139	170138646	/nfs/dbraw/zinc/13/86/46/170138646.db2.gz	FBEVRNKVAMTEHP-TWGQIWQCSA-N	0	1	293.322	3.778	40	30		CHEBMN
Cn1c2ccccc2nc1N=NCc1cccc(Cl)c1	ZINC000007343377	567078913	/nfs/dbraw/zinc/07/89/13/567078913.db2.gz	SXTRVRQMHCNYSP-LICLKQGHSA-N	0	1	284.750	3.673	40	30		CHEBMN
Cc1cc(N=Cc2sc3ccccc3c2O)no1	ZINC000005537794	170110433	/nfs/dbraw/zinc/11/04/33/170110433.db2.gz	IUUDMCPJAGJFRM-VGOFMYFVSA-N	0	1	258.302	3.654	40	30		CHEBMN
N#CC1c2ccccc2C=CN1C(=O)CCc1ccccc1	ZINC000005900052	170152384	/nfs/dbraw/zinc/15/23/84/170152384.db2.gz	KKAJEELYXYAAKV-SFHVURJKSA-N	0	1	288.350	3.697	40	30		CHEBMN
Fc1ccc(Cl)cc1C=NNc1nc2ccccc2[nH]1	ZINC000016676095	566985425	/nfs/dbraw/zinc/98/54/25/566985425.db2.gz	GIJMPQLMIVNKMV-IUXPMGMMSA-N	0	1	288.713	3.801	40	30		CHEBMN
O=C(/C=C\c1ccc(Cl)cc1)c1ccccc1O	ZINC000017156645	567874889	/nfs/dbraw/zinc/87/48/89/567874889.db2.gz	ZKBILMWSVPPRAT-YFHOEESVSA-N	0	1	258.704	3.942	40	30		CHEBMN
CCc1n[nH]c(=S)n1N=Cc1ccc(C(C)C)cc1	ZINC000005410342	170095251	/nfs/dbraw/zinc/09/52/51/170095251.db2.gz	KCWLGXFMAIEIFN-OQLLNIDSSA-N	0	1	274.393	3.509	40	30		CHEBMN
Cc1cccc2c(C)cc(NN=Cc3ccccn3)nc12	ZINC000005706404	170131365	/nfs/dbraw/zinc/13/13/65/170131365.db2.gz	SPJQIURWEADKDK-YBFXNURJSA-N	0	1	276.343	3.693	40	30		CHEBMN
Cc1ccc(C=NNc2ccc(C(F)(F)F)cn2)s1	ZINC000007008915	170261832	/nfs/dbraw/zinc/26/18/32/170261832.db2.gz	YQTBZQOZKLECJT-REZTVBANSA-N	0	1	285.294	3.916	40	30		CHEBMN
COc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)c(O)c1	ZINC000016952675	567874237	/nfs/dbraw/zinc/87/42/37/567874237.db2.gz	FBEVRNKVAMTEHP-RMKNXTFCSA-N	0	1	293.322	3.778	40	30		CHEBMN
CN(C)c1ccc(/C=N/NCc2ccc(Cl)cc2)cc1	ZINC000010118839	567940050	/nfs/dbraw/zinc/94/00/50/567940050.db2.gz	WHULSPPODRPYJA-XDHOZWIPSA-N	0	1	287.794	3.530	40	30		CHEBMN
CCn1c2ccccc2[nH]c1=NN=C(C)c1ccccc1	ZINC000408692111	570217271	/nfs/dbraw/zinc/21/72/71/570217271.db2.gz	DQVINISZEIAMGD-UYRXBGFRSA-N	0	1	278.359	3.892	40	30		CHEBMN
CC(=NN=c1[nH]c2ccccc2[nH]1)c1ccc(F)cc1	ZINC000005381361	170092062	/nfs/dbraw/zinc/09/20/62/170092062.db2.gz	SWRGHMCZWNHVKA-GRSHGNNSSA-N	0	1	268.295	3.538	40	30		CHEBMN
CC(=NN=c1ccc2ccccc2[nH]1)c1ccccc1O	ZINC000013099138	170531462	/nfs/dbraw/zinc/53/14/62/170531462.db2.gz	IZHPDVLGPQNUBP-XDHOZWIPSA-N	0	1	277.327	3.777	40	30	in-vitro	CHEBMN
Cc1ccc2nc(S[C@H]3/C(=N\O)[C@H]4CC[C@@H]3C4)[nH]c2c1	ZINC000100965076	534360763	/nfs/dbraw/zinc/36/07/63/534360763.db2.gz	HQXBQWFDZCXEJQ-BPTJAWSLSA-N	0	1	287.388	3.592	40	30		CHEBMN
Fc1cc2nc(C(F)(F)F)[nH]c2c(C(F)(F)F)c1	ZINC000050860851	526310366	/nfs/dbraw/zinc/31/03/66/526310366.db2.gz	RGUNTHWRXSMJRS-UHFFFAOYSA-N	0	1	272.123	3.740	40	30		CHEBMN
Cc1ccc(C)c(C(=N/O)/C(=N\O)c2cc(C)ccc2C)c1	ZINC000108918266	567095885	/nfs/dbraw/zinc/09/58/85/567095885.db2.gz	FRPBOWXWDVYTOA-CLFAGFIQSA-N	0	1	296.370	3.977	40	30		CHEBMN
ON=C1C[C@H](c2ccccc2)N[C@@H](c2ccccc2)C1	ZINC000004963737	170046158	/nfs/dbraw/zinc/04/61/58/170046158.db2.gz	WCYGKEJTAGNKLH-IAGOWNOFSA-N	0	1	266.344	3.683	40	30		CHEBMN
COc1ccc(/N=C/c2ccc(O)c(Cl)c2)cc1	ZINC000008116531	567079613	/nfs/dbraw/zinc/07/96/13/567079613.db2.gz	YFWSQVQHQQIGDE-CXUHLZMHSA-N	0	1	261.708	3.805	40	30		CHEBMN
Cc1cccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)c1	ZINC000001835411	567843647	/nfs/dbraw/zinc/84/36/47/567843647.db2.gz	FGAVFMDVTVQQLO-BOPFTXTBSA-N	0	1	294.383	3.798	40	30		CHEBMN
CC(=NNc1cc(C)c2ccccc2n1)c1ccccn1	ZINC000005392964	170093916	/nfs/dbraw/zinc/09/39/16/170093916.db2.gz	CVDUGZRMCGEUJY-DEDYPNTBSA-N	0	1	276.343	3.774	40	30		CHEBMN
C(=NNc1nc2ccccc2s1)c1ccsc1	ZINC000006672861	170225019	/nfs/dbraw/zinc/22/50/19/170225019.db2.gz	DNERBMBYJWZMME-NTUHNPAUSA-N	0	1	259.359	3.804	40	30		CHEBMN
Fc1cc2[nH]c(C(F)(F)F)nc2cc1C(F)(F)F	ZINC000258329308	567917061	/nfs/dbraw/zinc/91/70/61/567917061.db2.gz	AMKPKOSAICIBKY-UHFFFAOYSA-N	0	1	272.123	3.740	40	30		CHEBMN
CCn1c2ccccc2nc1NN=Cc1cccs1	ZINC000408692623	570217092	/nfs/dbraw/zinc/21/70/92/570217092.db2.gz	QYILCKNQUGBPJG-XNTDXEJSSA-N	0	1	270.361	3.564	40	30		CHEBMN
Cc1ccc(C(=N/O)/C(=N\O)c2ccc(C)c(C)c2)cc1C	ZINC000408729118	260030941	/nfs/dbraw/zinc/03/09/41/260030941.db2.gz	AQMKTQAJNBWYCF-CLFAGFIQSA-N	0	1	296.370	3.977	40	30		CHEBMN
Cc1c(Cl)cc(-c2ccc(/C=N/O)o2)cc1[N+](=O)[O-]	ZINC000026508648	567062266	/nfs/dbraw/zinc/06/22/66/567062266.db2.gz	FQUFNBGYENUADR-MKMNVTDBSA-N	0	1	280.667	3.625	40	30		CHEBMN
Cn1c2ccccc2[nH]c1=NN=Cc1ccccc1Cl	ZINC000007343376	567079820	/nfs/dbraw/zinc/07/98/20/567079820.db2.gz	KOLCQAJTAQZHMI-LICLKQGHSA-N	0	1	284.750	3.673	40	30		CHEBMN
COc1cccc(C=NNc2nc3ccccc3s2)c1	ZINC000005352262	170088688	/nfs/dbraw/zinc/08/86/88/170088688.db2.gz	DAZJIYVWCMJULT-MHWRWJLKSA-N	0	1	283.356	3.751	40	30		CHEBMN
COc1cccc(C=[NH+][N-]c2nc3ccccc3s2)c1	ZINC000005352262	170088689	/nfs/dbraw/zinc/08/86/89/170088689.db2.gz	DAZJIYVWCMJULT-MHWRWJLKSA-N	0	1	283.356	3.751	40	30		CHEBMN
N#CC1c2ccccc2C=CN1C(=O)CCc1ccccc1	ZINC000005900056	170152462	/nfs/dbraw/zinc/15/24/62/170152462.db2.gz	KKAJEELYXYAAKV-GOSISDBHSA-N	0	1	288.350	3.697	40	30		CHEBMN
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1	ZINC000008653398	170343772	/nfs/dbraw/zinc/34/37/72/170343772.db2.gz	HKIFSTBWORQONB-UHFFFAOYSA-N	0	1	286.334	3.889	40	30		CHEBMN
CC(=NNc1cc(C)c2ccccc2n1)c1ccccn1	ZINC000017127129	567033534	/nfs/dbraw/zinc/03/35/34/567033534.db2.gz	CVDUGZRMCGEUJY-MOSHPQCFSA-N	0	1	276.343	3.774	40	30		CHEBMN
N#Cc1ccc(/C=N/C23CC4CC(CC(C4)C2)C3)cc1	ZINC000018087742	567876588	/nfs/dbraw/zinc/87/65/88/567876588.db2.gz	WDYDSKBVZWCQLT-UDWIEESQSA-N	0	1	264.372	3.946	40	30		CHEBMN
CC(C)(C)[C@H]1C[C@@H](C(C)(C)C)C([O-])=C([N+]#N)C1=O	ZINC000137156065	567931301	/nfs/dbraw/zinc/93/13/01/567931301.db2.gz	YJPAXEHZSANGLT-DTORHVGOSA-O	0	1	251.350	3.906	40	30		CHEBMN
CCn1c2ccccc2nc1[N-][NH+]=Cc1ccc(C)cc1	ZINC000408692125	570217302	/nfs/dbraw/zinc/21/73/02/570217302.db2.gz	DXAAGGDFKIXNKC-LDADJPATSA-N	0	1	278.359	3.811	40	30		CHEBMN
O/N=C1\CCC=CCC[C@H]1[N@H+]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000018158961	570290062	/nfs/dbraw/zinc/29/00/62/570290062.db2.gz	UJVSNQMAKPILBN-ARWWUYSLSA-N	0	1	276.424	3.828	40	30		CHEBMN
Cc1ccc2nc(C)cc(NN=Cc3cccnc3)c2c1	ZINC000005006960	170054336	/nfs/dbraw/zinc/05/43/36/170054336.db2.gz	TVWOAVZUEMQCGP-YBFXNURJSA-N	0	1	276.343	3.693	40	30		CHEBMN
O/N=C\c1ccccc1OCc1ccccc1Cl	ZINC000006926924	170256292	/nfs/dbraw/zinc/25/62/92/170256292.db2.gz	YEMBTGSCXXONLN-SXGWCWSVSA-N	0	1	261.708	3.727	40	30		CHEBMN
C=CCOc1cccc(CN=Nc2nc3ccccc3[nH]2)c1	ZINC000007008497	567078496	/nfs/dbraw/zinc/07/84/96/567078496.db2.gz	DTVLYYIYNRXQGZ-LDADJPATSA-N	0	1	292.342	3.574	40	30		CHEBMN
Clc1ccc(CN=Nc2ccccn2)cc1Cl	ZINC000107828209	567095783	/nfs/dbraw/zinc/09/57/83/567095783.db2.gz	PJFHCTPYWZVYAF-PXNMLYILSA-N	0	1	266.131	3.834	40	30		CHEBMN
COc1ccc(C(=O)C=C(C)Nc2ncccc2C)cc1	ZINC000032100350	567885635	/nfs/dbraw/zinc/88/56/35/567885635.db2.gz	QSJLYKJRMZVMSJ-ACCUITESSA-N	0	1	282.343	3.597	40	30		CHEBMN
CCN(CC)[C@@H](C#C[Si](C)(C)C)c1ccccc1	ZINC000195887745	570336175	/nfs/dbraw/zinc/33/61/75/570336175.db2.gz	MTNURXPEBAVOQY-INIZCTEOSA-N	0	1	259.469	3.950	40	30		CHEBMN
CCn1c2ccccc2nc1NN=Cc1ccc(OC)cc1	ZINC000005072777	170064552	/nfs/dbraw/zinc/06/45/52/170064552.db2.gz	KLVREYPGPXOYQB-LDADJPATSA-N	0	1	294.358	3.511	40	30		CHEBMN
O=C(/C=C\c1c[nH]c2ccccc12)c1ccccc1O	ZINC000005767134	170138784	/nfs/dbraw/zinc/13/87/84/170138784.db2.gz	BNYXDAPVMGMJTA-KTKRTIGZSA-N	0	1	263.296	3.770	40	30		CHEBMN
Fc1ccc(OC(F)(F)F)c2nc(C(F)(F)F)[nH]c21	ZINC000258830954	328130294	/nfs/dbraw/zinc/13/02/94/328130294.db2.gz	JCOMHDOONCGSHS-UHFFFAOYSA-N	0	1	288.122	3.619	40	30		CHEBMN
N=C1SC(=Cc2ccccc2)C(O)=C1c1nccs1	ZINC000033473311	567096750	/nfs/dbraw/zinc/09/67/50/567096750.db2.gz	DECDNUFONQVFMH-CQMCAKQTSA-N	0	1	286.381	3.561	40	30		CHEBMN
Cc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc1	ZINC000001243715	567836547	/nfs/dbraw/zinc/83/65/47/567836547.db2.gz	GVNZBVMCFWWQMS-BOPFTXTBSA-N	0	1	294.383	3.798	40	30		CHEBMN
C[NH+]1CCC(/C(=N/[O-])c2ccccc2)(c2ccccc2)CC1	ZINC000001584634	567838655	/nfs/dbraw/zinc/83/86/55/567838655.db2.gz	RXOFXKTWSFNTEW-CZIZESTLSA-N	0	1	294.398	3.529	40	30		CHEBMN
CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)ccc1O	ZINC000408692853	570217111	/nfs/dbraw/zinc/21/71/11/570217111.db2.gz	WWVCOYLFVPIFSM-WOJGMQOQSA-N	0	1	294.358	3.516	40	30		CHEBMN
N=C1SC(=Cc2cccs2)C(O)=C1c1nccs1	ZINC000136067367	570271836	/nfs/dbraw/zinc/27/18/36/570271836.db2.gz	GXLMVTKKDXOELS-LQSIPYTESA-N	0	1	292.410	3.622	40	30		CHEBMN
O/N=C/c1ccccc1OCc1cccc(Cl)c1	ZINC000103843914	230393335	/nfs/dbraw/zinc/39/33/35/230393335.db2.gz	CTDJIUDKAYVCNI-CXUHLZMHSA-N	0	1	261.708	3.727	40	30		CHEBMN
ON=C1C[C@H](c2ccccc2)N[C@H](c2ccccc2)C1	ZINC000004963735	170045866	/nfs/dbraw/zinc/04/58/66/170045866.db2.gz	WCYGKEJTAGNKLH-CALCHBBNSA-N	0	1	266.344	3.683	40	30		CHEBMN
CCc1n[nH]c(=S)n1N=Cc1ccc(C(C)(C)C)cc1	ZINC000005459285	170101482	/nfs/dbraw/zinc/10/14/82/170101482.db2.gz	ORTVLGHAZPUFRV-MHWRWJLKSA-N	0	1	288.420	3.683	40	30		CHEBMN
CC(=NN=c1[nH]c(-c2ccccc2)cs1)c1ccc(C)o1	ZINC000023099201	567081371	/nfs/dbraw/zinc/08/13/71/567081371.db2.gz	PNBBOOUATQNWHU-LDADJPATSA-N	0	1	297.383	3.970	40	30		CHEBMN
O=C(C=Cc1ccccc1)CC(=O)C=Cc1ccccc1	ZINC000001651125	570383868	/nfs/dbraw/zinc/38/38/68/570383868.db2.gz	UXLWOYFDJVFCBR-PHEQNACWSA-N	0	1	276.335	3.942	40	30		CHEBMN
CC(C)c1ccc2c(c1)C(=N[N-]c1cccc[nH+]1)C(=O)N2	ZINC000007994016	170312890	/nfs/dbraw/zinc/31/28/90/170312890.db2.gz	NBMNNEKHLDGARU-UHFFFAOYSA-N	0	1	280.331	3.623	40	30		CHEBMN
O/N=C\c1ccccc1-c1nc2ccc(F)cc2s1	ZINC000045923237	566977134	/nfs/dbraw/zinc/97/71/34/566977134.db2.gz	JQKMRZXIOJRLHM-PXNMLYILSA-N	0	1	272.304	3.911	40	30		CHEBMN
O=[N+]([O-])c1cccc(/C=N/c2cccc(Cl)c2O)c1	ZINC000018176351	567876995	/nfs/dbraw/zinc/87/69/95/567876995.db2.gz	YSWSOBKWPAGWGV-OVCLIPMQSA-N	0	1	276.679	3.704	40	30		CHEBMN
O/N=C/c1ccc(-c2ccc(Br)cc2F)o1	ZINC000073638286	567893617	/nfs/dbraw/zinc/89/36/17/567893617.db2.gz	WMPGWTQRBQOEIG-MKMNVTDBSA-N	0	1	284.084	3.656	40	30		CHEBMN
Cc1ccc(/N=C/c2c(O)ccc3c(C)cc(=O)oc23)cc1	ZINC000016291608	567872724	/nfs/dbraw/zinc/87/27/24/567872724.db2.gz	HKYMCKGDYCPYHM-VXLYETTFSA-N	0	1	293.322	3.866	40	30		CHEBMN
Cc1sc2[nH]cnc(=NN=Cc3cccs3)c2c1C	ZINC000004679510	1120752104	/nfs/dbraw/zinc/75/21/04/1120752104.db2.gz	ASKASIPSPQHLCS-SOFYXZRVSA-N	0	1	288.401	3.816	40	30		CHEBMN
COc1ccc2nc(C)cc(NN=Cc3ccccc3)c2c1	ZINC000005330565	170086161	/nfs/dbraw/zinc/08/61/61/170086161.db2.gz	JUDRNGHLANLSBR-XDHOZWIPSA-N	0	1	291.354	3.998	40	30		CHEBMN
N#CC1c2ccccc2C=CN1C(=O)C1CCCCC1	ZINC000005903759	170152396	/nfs/dbraw/zinc/15/23/96/170152396.db2.gz	JWPNWJHYPZYBFC-INIZCTEOSA-N	0	1	266.344	3.644	40	30		CHEBMN
N#Cc1cc(Cc2ccccc2)cc(Br)c1O	ZINC000030714713	567170315	/nfs/dbraw/zinc/17/03/15/567170315.db2.gz	ZLNFUXPBJZTFOY-UHFFFAOYSA-N	0	1	288.144	3.617	40	30		CHEBMN
Cc1nc2ccc(N=Cc3ccc([N+](=O)[O-])cc3)cc2[nH]1	ZINC000013233487	567865723	/nfs/dbraw/zinc/86/57/23/567865723.db2.gz	SISZEMOICFTYPM-CXUHLZMHSA-N	0	1	280.287	3.530	40	30		CHEBMN
CCOC(=O)c1ccc(NC(=NC(C)(C)C)C(C)C)cc1	ZINC000017123538	567874800	/nfs/dbraw/zinc/87/48/00/567874800.db2.gz	DIXZQDBINQAKPN-UHFFFAOYSA-N	0	1	290.407	3.937	40	30		CHEBMN
C=C(CN(C)C)C(=O)c1ccc(Oc2ccccc2)cc1	ZINC000073314366	567903335	/nfs/dbraw/zinc/90/33/35/567903335.db2.gz	SJNPQWMXRQHPDV-UHFFFAOYSA-N	0	1	281.355	3.779	40	30		CHEBMN
O/N=C/c1ccc(Sc2ccc(Cl)cc2)o1	ZINC000409077623	567934203	/nfs/dbraw/zinc/93/42/03/567934203.db2.gz	FQEIINYZFAYJDJ-NTUHNPAUSA-N	0	1	253.710	3.892	40	30		CHEBMN
Cc1cccc(C=NNc2cc(C)c3ccccc3n2)n1	ZINC000005392963	170093844	/nfs/dbraw/zinc/09/38/44/170093844.db2.gz	BXKZAFZGVXGAOR-WOJGMQOQSA-N	0	1	276.343	3.693	40	30		CHEBMN
C=CCn1c2ccccc2nc1[C@@H](C)N1CCCCC1	ZINC000016776796	566896514	/nfs/dbraw/zinc/89/65/14/566896514.db2.gz	JMYGNCYNELJRTF-CQSZACIVSA-N	0	1	269.392	3.769	40	30		CHEBMN
CC(=NN=c1ccc2ccccc2[nH]1)c1ccccc1O	ZINC000084459882	566979474	/nfs/dbraw/zinc/97/94/74/566979474.db2.gz	IZHPDVLGPQNUBP-UNOMPAQXSA-N	0	1	277.327	3.777	40	30	in-vitro	CHEBMN
Fc1ccccc1C=NNc1nc2ccccc2s1	ZINC000016672849	566984625	/nfs/dbraw/zinc/98/46/25/566984625.db2.gz	UTFIVVSLQRQDGE-SXGWCWSVSA-N	0	1	271.320	3.881	40	30		CHEBMN
Cc1cc(=O)oc2c(/C=N/C3CCCCC3)c(O)ccc12	ZINC000000581285	567833956	/nfs/dbraw/zinc/83/39/56/567833956.db2.gz	HGEKTLUIVASDNQ-VCHYOVAHSA-N	0	1	285.343	3.559	40	30		CHEBMN
CCn1c2ccccc2[nH]c1=NN=C(C)c1ccc(O)cc1	ZINC000408692234	570217255	/nfs/dbraw/zinc/21/72/55/570217255.db2.gz	HZHSAEDSABGMDA-UNOMPAQXSA-N	0	1	294.358	3.598	40	30		CHEBMN
O=C1C[C@H](c2ccco2)CCC1=CNNc1ccccc1	ZINC000112257227	230394262	/nfs/dbraw/zinc/39/42/62/230394262.db2.gz	LKVZAJQLKMKSQN-MNWMYKRDSA-N	0	1	282.343	3.617	40	30		CHEBMN
Oc1ccc(/C=N/c2ccccc2)cc1Br	ZINC000005600764	170118287	/nfs/dbraw/zinc/11/82/87/170118287.db2.gz	QRAOHSXXPPODKP-OQLLNIDSSA-N	0	1	276.133	3.905	40	30		CHEBMN
Fc1cccc(C=NNc2ccc(C(F)(F)F)cn2)c1	ZINC000006831004	170247262	/nfs/dbraw/zinc/24/72/62/170247262.db2.gz	MHKIKSKKZYVSDQ-FBCYGCLPSA-N	0	1	283.228	3.686	40	30		CHEBMN
COc1ccc(C(C)=NN=c2[nH]c3ccccc3o2)cc1	ZINC000252444435	334380385	/nfs/dbraw/zinc/38/03/85/334380385.db2.gz	ZTBYZRSEUYERRP-UHFFFAOYSA-N	0	1	281.315	3.673	40	30		CHEBMN
Cn1c2ccccc2nc1N=NCc1ccc(Cl)cc1	ZINC000408661531	567859411	/nfs/dbraw/zinc/85/94/11/567859411.db2.gz	QTNQQRIYMWZBPZ-LICLKQGHSA-N	0	1	284.750	3.673	40	30		CHEBMN
COc1ccccc1C=NNc1nc2ccccc2s1	ZINC000031623962	567885236	/nfs/dbraw/zinc/88/52/36/567885236.db2.gz	UIMGGMPJDONFBG-YBEGLDIGSA-N	0	1	283.356	3.751	40	30		CHEBMN
Cc1ccsc1C=NNc1ccc(C(F)(F)F)cn1	ZINC000006297220	567948090	/nfs/dbraw/zinc/94/80/90/567948090.db2.gz	OALUTXSPJUVBQQ-REZTVBANSA-N	0	1	285.294	3.916	40	30		CHEBMN
COc1ccc2nc(SCc3ccc(C#N)cc3)[nH]c2c1	ZINC000006289804	170188603	/nfs/dbraw/zinc/18/86/03/170188603.db2.gz	ZKDIKKYQMZTDEC-UHFFFAOYSA-N	0	1	295.367	3.735	40	30		CHEBMN
COc1cccc(C=NNc2ccc(C(F)(F)F)cn2)c1	ZINC000006622352	170219885	/nfs/dbraw/zinc/21/98/85/170219885.db2.gz	RLJZIDFATKPURA-UFWORHAWSA-N	0	1	295.264	3.555	40	30		CHEBMN
Clc1ccccc1C=NN=c1[nH]c2ccccc2[nH]1	ZINC000033961156	171827975	/nfs/dbraw/zinc/82/79/75/171827975.db2.gz	LMYVVBGYGXOVOE-CXUHLZMHSA-N	0	1	270.723	3.662	40	30		CHEBMN
CCCCCn1nc(C)c(C=NNc2ccccn2)c1C	ZINC000005446088	261067138	/nfs/dbraw/zinc/06/71/38/261067138.db2.gz	COCCKYQFMMBPTH-LDADJPATSA-N	0	1	285.395	3.531	40	30		CHEBMN
C=CCn1c2ccccc2nc1[C@H](C)N1CCCCC1	ZINC000016776798	566896420	/nfs/dbraw/zinc/89/64/20/566896420.db2.gz	JMYGNCYNELJRTF-AWEZNQCLSA-N	0	1	269.392	3.769	40	30		CHEBMN
Cc1cccc2c(C)cc(NN=Cc3ccccn3)nc12	ZINC000017127138	567874927	/nfs/dbraw/zinc/87/49/27/567874927.db2.gz	SPJQIURWEADKDK-ODLFYWEKSA-N	0	1	276.343	3.693	40	30		CHEBMN
Cc1nc2ccc(N=Cc3cccc([N+](=O)[O-])c3)cc2[nH]1	ZINC000101633554	567914985	/nfs/dbraw/zinc/91/49/85/567914985.db2.gz	YTBMZCSVRHPJMP-CXUHLZMHSA-N	0	1	280.287	3.530	40	30		CHEBMN
COc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1	ZINC000031601752	567955651	/nfs/dbraw/zinc/95/56/51/567955651.db2.gz	UYABVUDGGULXKZ-YBEGLDIGSA-N	0	1	283.356	3.751	40	30		CHEBMN
ON=C1C[C@@H](c2ccccc2)N[C@H](c2ccccc2)C1	ZINC000004963738	170045968	/nfs/dbraw/zinc/04/59/68/170045968.db2.gz	WCYGKEJTAGNKLH-IRXDYDNUSA-N	0	1	266.344	3.683	40	30		CHEBMN
Clc1ccc(CN=Nc2ccccn2)c(Cl)c1	ZINC000013004952	567063005	/nfs/dbraw/zinc/06/30/05/567063005.db2.gz	SOPAGLVQXXLAHS-LZYBPNLTSA-N	0	1	266.131	3.834	40	30		CHEBMN
Cc1cccc(C(=O)N2C=Cc3ccccc3C2C#N)c1	ZINC000003119094	567159853	/nfs/dbraw/zinc/15/98/53/567159853.db2.gz	HYHNHEHVUSUQRN-QGZVFWFLSA-N	0	1	274.323	3.686	40	30		CHEBMN
COc1ccc2nc(SCc3cccc(C#N)c3)[nH]c2c1	ZINC000004252296	567193273	/nfs/dbraw/zinc/19/32/73/567193273.db2.gz	QTGKEEYCBKOYMM-UHFFFAOYSA-N	0	1	295.367	3.735	40	30		CHEBMN
CCc1ccc(C(C)=NN=c2[nH]c3ccccc3n2C)cc1	ZINC000408647248	567859134	/nfs/dbraw/zinc/85/91/34/567859134.db2.gz	BKDOFHUVSPMSBC-MOSHPQCFSA-N	0	1	292.386	3.972	40	30		CHEBMN
N=C1SC(=Cc2ccccc2)C(O)=C1c1nccs1	ZINC000137602428	567095476	/nfs/dbraw/zinc/09/54/76/567095476.db2.gz	DECDNUFONQVFMH-HXEMJMRBSA-N	0	1	286.381	3.561	40	30		CHEBMN
CC(=NN=c1[nH]c2ccccc2[nH]1)c1ccc(F)cc1	ZINC000013640737	567893553	/nfs/dbraw/zinc/89/35/53/567893553.db2.gz	SWRGHMCZWNHVKA-VXLYETTFSA-N	0	1	268.295	3.538	40	30		CHEBMN
O=C1C[C@@H](c2ccco2)CCC1=CNNc1ccccc1	ZINC000112257225	230394193	/nfs/dbraw/zinc/39/41/93/230394193.db2.gz	LKVZAJQLKMKSQN-REQDGWNSSA-N	0	1	282.343	3.617	40	30		CHEBMN
N#CC1c2ccccc2C=CN1C(=O)C1CCCCC1	ZINC000005903729	170152389	/nfs/dbraw/zinc/15/23/89/170152389.db2.gz	JWPNWJHYPZYBFC-MRXNPFEDSA-N	0	1	266.344	3.644	40	30		CHEBMN
CCCCCCCCCCSc1n[nH]c(NC(C)=O)n1	ZINC000008828603	261082255	/nfs/dbraw/zinc/08/22/55/261082255.db2.gz	OOBHNUMOYXOVJB-UHFFFAOYSA-N	0	1	298.456	3.996	40	30	aggregator	CHEBMN
N=C1SC(=Cc2cccs2)C(O)=C1c1nccs1	ZINC000035352886	570216496	/nfs/dbraw/zinc/21/64/96/570216496.db2.gz	GXLMVTKKDXOELS-QEDIJHPOSA-N	0	1	292.410	3.622	40	30		CHEBMN
CCn1c2ccccc2nc1[N-][NH+]=Cc1ccccc1C	ZINC000408692488	570217209	/nfs/dbraw/zinc/21/72/09/570217209.db2.gz	NNEUUFDIJQYCGD-LDADJPATSA-N	0	1	278.359	3.811	40	30		CHEBMN
Fc1cc2[nH]c(C(F)(F)F)nc2cc1OC(F)(F)F	ZINC000169804835	1125282010	/nfs/dbraw/zinc/28/20/10/1125282010.db2.gz	PPUXBRUQXIKEEN-UHFFFAOYSA-N	0	1	288.122	3.619	40	30		CHEBMN
Clc1cccc(C=NN=c2[nH]c3ccccc3[nH]2)c1	ZINC000005387669	526974409	/nfs/dbraw/zinc/97/44/09/526974409.db2.gz	HIFCHOWBKVSDFM-CXUHLZMHSA-N	0	1	270.723	3.662	40	30		CHEBMN
N#Cc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1	ZINC000012999178	567116115	/nfs/dbraw/zinc/11/61/15/567116115.db2.gz	UTADKFJRRZDHFW-UHFFFAOYSA-N	0	1	253.692	3.755	40	30		CHEBMN
Cc1[nH]c2ccccc2c1C=NN=c1[nH]c2ccccc2[nH]1	ZINC000012372349	567940072	/nfs/dbraw/zinc/94/00/72/567940072.db2.gz	WMGYROGJPCUNSD-ZDLGFXPLSA-N	0	1	289.342	3.799	40	30		CHEBMN
CCN(CC)[C@H](C#C[Si](C)(C)C)c1ccccc1	ZINC000195887751	570336182	/nfs/dbraw/zinc/33/61/82/570336182.db2.gz	MTNURXPEBAVOQY-MRXNPFEDSA-N	0	1	259.469	3.950	40	30		CHEBMN