smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CC[N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1OC	ZINC000020491807	523976725	/nfs/dbraw/zinc/97/67/25/523976725.db2.gz	MPBKWCZMZPGFGZ-UHFFFAOYSA-N	-1	3	426.878	2.209	20	0		IEADHM
O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]21	ZINC001164700768	719883708	/nfs/dbraw/zinc/88/37/08/719883708.db2.gz	LADASEDFOZZADU-GMTAPVOTSA-N	-1	3	442.879	2.091	20	0		IEADHM
O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)c1cc(Cl)nc(=S)[n-]1)N1CCCC1	ZINC001164709049	720084431	/nfs/dbraw/zinc/08/44/31/720084431.db2.gz	ASAZDUQAUSYCQI-HWWQOWPSSA-N	-1	3	448.923	2.339	20	0		IEADHM
O=C(CO[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1cc(Cl)nc(=S)[n-]1)N1CCCC1	ZINC001164709051	720084829	/nfs/dbraw/zinc/08/48/29/720084829.db2.gz	ASAZDUQAUSYCQI-OZVIIMIRSA-N	-1	3	448.923	2.339	20	0		IEADHM
CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc(=S)[n-]2)O1	ZINC001164727928	720322679	/nfs/dbraw/zinc/32/26/79/720322679.db2.gz	UZLQLPNADOKACV-SDDRHHMPSA-N	-1	3	436.912	2.195	20	0		IEADHM
O=C(COC[C@@]12COC[C@@H]1CN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2)N1CCCC1	ZINC001164882110	721336745	/nfs/dbraw/zinc/33/67/45/721336745.db2.gz	CIDULYYMCZFHDQ-YVEFUNNKSA-N	-1	3	448.923	2.055	20	0		IEADHM
O=C([C@@H]1C[C@@]2(CO1)CCCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2)N1CCOCC1	ZINC001165018071	721776395	/nfs/dbraw/zinc/77/63/95/721776395.db2.gz	IALUSPCNRDMVAT-SJCJKPOMSA-N	-1	3	448.923	2.198	20	0		IEADHM
COc1cc(OC)nc(CN2CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC2)n1	ZINC001165029337	721849708	/nfs/dbraw/zinc/84/97/08/721849708.db2.gz	JJTTTZNUQLIDEY-UHFFFAOYSA-N	-1	3	432.884	2.093	20	0		IEADHM
CC(C)C(=O)N1CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C[C@]2(CCCC(=O)N2)C1	ZINC001164978804	722088303	/nfs/dbraw/zinc/08/83/03/722088303.db2.gz	ZWBIYEBIUDHAJA-KRWDZBQOSA-N	-1	3	447.939	2.307	20	0		IEADHM
Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1NS(C)(=O)=O	ZINC001123267721	939816635	/nfs/dbraw/zinc/81/66/35/939816635.db2.gz	JSLRNXLYNZFFKA-JOCHJYFZSA-N	-1	3	445.541	2.216	20	0		IEADHM
O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]21	ZINC001164700770	719883874	/nfs/dbraw/zinc/88/38/74/719883874.db2.gz	LADASEDFOZZADU-OUAUKWLOSA-N	-1	3	442.879	2.091	20	0		IEADHM
O=C1COC2(CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC2)CN1c1cncnc1	ZINC001164863868	721038480	/nfs/dbraw/zinc/03/84/80/721038480.db2.gz	VFQNRJPFBOQBPK-UHFFFAOYSA-N	-1	3	442.879	2.156	20	0		IEADHM
CC(C)C(=O)N1CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C[C@@]2(CCCC(=O)N2)C1	ZINC001164978808	722088374	/nfs/dbraw/zinc/08/83/74/722088374.db2.gz	ZWBIYEBIUDHAJA-QGZVFWFLSA-N	-1	3	447.939	2.307	20	0		IEADHM
Cn1cccc1C(=O)N1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]2C1	ZINC001165006284	722243992	/nfs/dbraw/zinc/24/39/92/722243992.db2.gz	XVBIOHDGCRHPCZ-AAEUAGOBSA-N	-1	3	443.907	2.280	20	0		IEADHM
C[C@H](C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)n1nnc(-c2ccccc2)n1	ZINC001123269473	939818691	/nfs/dbraw/zinc/81/86/91/939818691.db2.gz	YYJKNOKWRJAPHJ-HXOBKFHXSA-N	-1	3	434.500	2.137	20	0		IEADHM
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(F)(F)c1cc(Cl)nc(=S)[n-]1	ZINC001164707185	719864004	/nfs/dbraw/zinc/86/40/04/719864004.db2.gz	RANWOUHRVLRTBA-BDJLRTHQSA-N	-1	3	436.912	2.196	20	0		IEADHM
O=C([C@@H]1CCO[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]21)N1CCCO1	ZINC001164793454	721481632	/nfs/dbraw/zinc/48/16/32/721481632.db2.gz	VOOUAFAFPJZPBU-GRYCIOLGSA-N	-1	3	434.896	2.359	20	0		IEADHM
COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1C[C@@H]2[C@H](C1)OCCN2Cc1c(C)noc1C	ZINC001164947415	721950050	/nfs/dbraw/zinc/95/00/50/721950050.db2.gz	XIYUQVLMYYNMBB-CVEARBPZSA-N	-1	3	446.895	2.092	20	0		IEADHM
CC(C)C(=O)NCc1nnc2n1CCCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2	ZINC001164990418	722190357	/nfs/dbraw/zinc/19/03/57/722190357.db2.gz	SUARJPLZJNXOTH-UHFFFAOYSA-N	-1	3	431.900	2.238	20	0		IEADHM
Cc1sc2ncc(C(=O)N[C@@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)c(=O)n2c1C	ZINC001123270578	939818482	/nfs/dbraw/zinc/81/84/82/939818482.db2.gz	JGQCDWNNWCPQII-QFIPXVFZSA-N	-1	3	440.525	2.222	20	0		IEADHM
O=C([O-])[C@]1(NC(=O)c2cc(N3CCNC3=O)ccc2F)CCCN(Cc2ccccc2)C1	ZINC001123269359	939818719	/nfs/dbraw/zinc/81/87/19/939818719.db2.gz	XRDZZMYDDFSRAS-QHCPKHFHSA-N	-1	3	440.475	2.205	20	0		IEADHM
O=C1O[C@@H](C[N-]S(=O)(=O)c2cccs2)CN1c1ccc(N2CCOCC2)c(F)c1	ZINC000095592041	563190471	/nfs/dbraw/zinc/19/04/71/563190471.db2.gz	GMEBHGQLSVPSIQ-AWEZNQCLSA-N	-1	3	441.506	2.028	20	0		IEADHM
COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1C[C@@H]2OCCN(Cc3c(C)noc3C)[C@H]2C1	ZINC001164947420	721950099	/nfs/dbraw/zinc/95/00/99/721950099.db2.gz	XIYUQVLMYYNMBB-HOTGVXAUSA-N	-1	3	446.895	2.092	20	0		IEADHM
Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)[C@H]2CCCO[C@H]12	ZINC001164772183	721066101	/nfs/dbraw/zinc/06/61/01/721066101.db2.gz	UNSZYWNNGOZGJD-JRPNMDOOSA-N	-1	3	443.907	2.468	20	0		IEADHM
O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(N2CCN(C[C@H]3CCCO3)CC2)nc1	ZINC001165044235	721920700	/nfs/dbraw/zinc/92/07/00/721920700.db2.gz	STZCLLWXBMAFSW-MRXNPFEDSA-N	-1	3	438.500	2.462	20	0		IEADHM
O=C([C@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2)N1CCOCC1	ZINC001164957301	722045550	/nfs/dbraw/zinc/04/55/50/722045550.db2.gz	BCMSIRNNPDJQFH-GFCCVEGCSA-N	-1	3	448.923	2.198	20	0		IEADHM
CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(=S)[n-]2)O1	ZINC001164727934	720322233	/nfs/dbraw/zinc/32/22/33/720322233.db2.gz	UZLQLPNADOKACV-TUAOUCFPSA-N	-1	3	436.912	2.195	20	0		IEADHM
O=C([C@@H]1C[C@]2(CO1)CCCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2)N1CCOCC1	ZINC001165018073	721776728	/nfs/dbraw/zinc/77/67/28/721776728.db2.gz	IALUSPCNRDMVAT-YVEFUNNKSA-N	-1	3	448.923	2.198	20	0		IEADHM
O=C([O-])[C@@]1(NC(=O)C2CCN(CC(F)(F)F)CC2)CCCN(Cc2ccccc2)C1	ZINC001123269498	939818585	/nfs/dbraw/zinc/81/85/85/939818585.db2.gz	ZAPLIYFPDAVDHG-HXUWFJFHSA-N	-1	3	427.467	2.496	20	0		IEADHM
COc1cc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc2c1OCCO2	ZINC001123269305	939818875	/nfs/dbraw/zinc/81/88/75/939818875.db2.gz	XAOFYVLQAYKXNN-HSZRJFAPSA-N	-1	3	426.469	2.316	20	0		IEADHM
CS(=O)(=O)Nc1cc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)ccc1F	ZINC001123372565	939822629	/nfs/dbraw/zinc/82/26/29/939822629.db2.gz	PRUHQSAPEZZQPX-NRFANRHFSA-N	-1	3	449.504	2.046	20	0		IEADHM
Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)[C@@H]2CCCO[C@@H]12	ZINC001164772181	721065785	/nfs/dbraw/zinc/06/57/85/721065785.db2.gz	UNSZYWNNGOZGJD-HFAKWTLXSA-N	-1	3	443.907	2.468	20	0		IEADHM
O=C(COC[C@]12COC[C@@H]1CN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2)N1CCCC1	ZINC001164882108	721336604	/nfs/dbraw/zinc/33/66/04/721336604.db2.gz	CIDULYYMCZFHDQ-SJCJKPOMSA-N	-1	3	448.923	2.055	20	0		IEADHM
O=C([C@H]1C[C@@]2(CO1)CCCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2)N1CCOCC1	ZINC001165018070	721776649	/nfs/dbraw/zinc/77/66/49/721776649.db2.gz	IALUSPCNRDMVAT-PXAZEXFGSA-N	-1	3	448.923	2.198	20	0		IEADHM
O=C([C@@H]1COC2(C1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2)N1CCOCC1	ZINC001164957302	722045493	/nfs/dbraw/zinc/04/54/93/722045493.db2.gz	BCMSIRNNPDJQFH-LBPRGKRZSA-N	-1	3	448.923	2.198	20	0		IEADHM
O=C(NC[C@@H]1OC[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]21)c1ccno1	ZINC001164858534	720911034	/nfs/dbraw/zinc/91/10/34/720911034.db2.gz	NXZITGATNDMVIS-UMNHJUIQSA-N	-1	3	445.879	2.223	20	0		IEADHM
Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)[C@@H]2CCCO[C@H]12	ZINC001164772185	721065834	/nfs/dbraw/zinc/06/58/34/721065834.db2.gz	UNSZYWNNGOZGJD-UEKVPHQBSA-N	-1	3	443.907	2.468	20	0		IEADHM
O=C(CO[C@H]1CO[C@]2(CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C2)C1)N1CCCC1	ZINC001164938152	721918207	/nfs/dbraw/zinc/91/82/07/721918207.db2.gz	IROAKLDXXZDNHU-SJKOYZFVSA-N	-1	3	448.923	2.340	20	0		IEADHM
O=C([O-])[C@@]1(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)CCCN(Cc2ccccc2)C1	ZINC001123268178	939817759	/nfs/dbraw/zinc/81/77/59/939817759.db2.gz	PQIOOPZTFHRZIU-RUZDIDTESA-N	-1	3	446.507	2.146	20	0		IEADHM
O=C(NCc1cn2ccccc2n1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1	ZINC000012530108	526804114	/nfs/dbraw/zinc/80/41/14/526804114.db2.gz	ARKUVIGTYQUHGR-MRXNPFEDSA-N	-1	3	448.932	2.375	20	0		IEADHM
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(F)(F)c1cc(Cl)nc(=S)[n-]1	ZINC001164707187	719863969	/nfs/dbraw/zinc/86/39/69/719863969.db2.gz	RANWOUHRVLRTBA-MEDUHNTESA-N	-1	3	436.912	2.196	20	0		IEADHM
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(F)(F)c1cc(Cl)nc(=S)[n-]1	ZINC001164707186	719864124	/nfs/dbraw/zinc/86/41/24/719864124.db2.gz	RANWOUHRVLRTBA-BZNIZROVSA-N	-1	3	436.912	2.196	20	0		IEADHM
O=C([C@@H]1COC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]21)N1CCCCO1	ZINC001164705478	719920089	/nfs/dbraw/zinc/92/00/89/719920089.db2.gz	CCAQMXMCQXPIAU-IJLUTSLNSA-N	-1	3	434.896	2.216	20	0		IEADHM
O=C(NC[C@@H]1OC[C@H]2CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]12)c1ccno1	ZINC001164858528	720910407	/nfs/dbraw/zinc/91/04/07/720910407.db2.gz	NXZITGATNDMVIS-FOGDFJRCSA-N	-1	3	445.879	2.223	20	0		IEADHM
CS(=O)(=O)Nc1cc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)ccc1F	ZINC001123372568	939822720	/nfs/dbraw/zinc/82/27/20/939822720.db2.gz	PRUHQSAPEZZQPX-OAQYLSRUSA-N	-1	3	449.504	2.046	20	0		IEADHM
O=C(Nc1cnccn1)[C@@H]1COC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]21	ZINC001164700769	719883850	/nfs/dbraw/zinc/88/38/50/719883850.db2.gz	LADASEDFOZZADU-HBNTYKKESA-N	-1	3	442.879	2.091	20	0		IEADHM
O=C([C@@H]1COC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]21)N1CCCCO1	ZINC001164705477	719919073	/nfs/dbraw/zinc/91/90/73/719919073.db2.gz	CCAQMXMCQXPIAU-GRYCIOLGSA-N	-1	3	434.896	2.216	20	0		IEADHM
O=C([C@@H]1COC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]21)N1CCCCO1	ZINC001164705481	719919470	/nfs/dbraw/zinc/91/94/70/719919470.db2.gz	CCAQMXMCQXPIAU-SDDRHHMPSA-N	-1	3	434.896	2.216	20	0		IEADHM
O=C(NC[C@@H]1OC[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]21)c1ccno1	ZINC001164858529	720910710	/nfs/dbraw/zinc/91/07/10/720910710.db2.gz	NXZITGATNDMVIS-NHCYSSNCSA-N	-1	3	445.879	2.223	20	0		IEADHM
O=C(COC[C@@]12COC[C@H]1CN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2)N1CCCC1	ZINC001164882109	721336794	/nfs/dbraw/zinc/33/67/94/721336794.db2.gz	CIDULYYMCZFHDQ-SJKOYZFVSA-N	-1	3	448.923	2.055	20	0		IEADHM
O=C(CO[C@@H]1CO[C@]2(CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C2)C1)N1CCCC1	ZINC001164938153	721918328	/nfs/dbraw/zinc/91/83/28/721918328.db2.gz	IROAKLDXXZDNHU-YVEFUNNKSA-N	-1	3	448.923	2.340	20	0		IEADHM
O=C(CO[C@H]1CO[C@@]2(CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C2)C1)N1CCCC1	ZINC001164938147	721918369	/nfs/dbraw/zinc/91/83/69/721918369.db2.gz	IROAKLDXXZDNHU-PXAZEXFGSA-N	-1	3	448.923	2.340	20	0		IEADHM
O=C([C@H]1COc2ccccc2O1)N1CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)CC1	ZINC001165050172	721980973	/nfs/dbraw/zinc/98/09/73/721980973.db2.gz	QQCNJBNWYONEFP-CYBMUJFWSA-N	-1	3	442.875	2.452	20	0		IEADHM
Cc1sc2ncc(C(=O)N[C@]3(C(=O)[O-])CCCN(Cc4ccccc4)C3)c(=O)n2c1C	ZINC001123270577	939818606	/nfs/dbraw/zinc/81/86/06/939818606.db2.gz	JGQCDWNNWCPQII-JOCHJYFZSA-N	-1	3	440.525	2.222	20	0		IEADHM
O=C(NCc1cn2ccccc2n1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1	ZINC000012530106	526803871	/nfs/dbraw/zinc/80/38/71/526803871.db2.gz	ARKUVIGTYQUHGR-INIZCTEOSA-N	-1	3	448.932	2.375	20	0		IEADHM
O=C([C@H]1C[C@]2(CO1)CCCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2)N1CCOCC1	ZINC001165018072	721776522	/nfs/dbraw/zinc/77/65/22/721776522.db2.gz	IALUSPCNRDMVAT-SJKOYZFVSA-N	-1	3	448.923	2.198	20	0		IEADHM
C[C@@H](C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)n1nnc(-c2ccccc2)n1	ZINC001123269477	939818563	/nfs/dbraw/zinc/81/85/63/939818563.db2.gz	YYJKNOKWRJAPHJ-SBUREZEXSA-N	-1	3	434.500	2.137	20	0		IEADHM
COc1cc(CC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc(OC)c1OC	ZINC001123371905	939822066	/nfs/dbraw/zinc/82/20/66/939822066.db2.gz	FSTMIVYVGWFTPY-XMMPIXPASA-N	-1	3	442.512	2.491	20	0		IEADHM
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(F)(F)c1cc(Cl)nc(=S)[n-]1	ZINC001164707188	719864051	/nfs/dbraw/zinc/86/40/51/719864051.db2.gz	RANWOUHRVLRTBA-ZBEGNZNMSA-N	-1	3	436.912	2.196	20	0		IEADHM
CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc(=S)[n-]2)O1	ZINC001164727926	720322442	/nfs/dbraw/zinc/32/24/42/720322442.db2.gz	UZLQLPNADOKACV-QJPTWQEYSA-N	-1	3	436.912	2.195	20	0		IEADHM
Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)[C@H]2CCCO[C@@H]12	ZINC001164772187	721066073	/nfs/dbraw/zinc/06/60/73/721066073.db2.gz	UNSZYWNNGOZGJD-ZETOZRRWSA-N	-1	3	443.907	2.468	20	0		IEADHM
O=C(CO[C@@H]1CO[C@@]2(CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C2)C1)N1CCCC1	ZINC001164938150	721918224	/nfs/dbraw/zinc/91/82/24/721918224.db2.gz	IROAKLDXXZDNHU-SJCJKPOMSA-N	-1	3	448.923	2.340	20	0		IEADHM
Cn1cccc1C(=O)N1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]2C1	ZINC001165006286	722243841	/nfs/dbraw/zinc/24/38/41/722243841.db2.gz	XVBIOHDGCRHPCZ-DGCLKSJQSA-N	-1	3	443.907	2.280	20	0		IEADHM
C[C@@H](C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)n1nnc(-c2ccccc2)n1	ZINC001123269469	939818749	/nfs/dbraw/zinc/81/87/49/939818749.db2.gz	YYJKNOKWRJAPHJ-GAJHUEQPSA-N	-1	3	434.500	2.137	20	0		IEADHM
O=C([C@@H]1COC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]21)N1CCCCO1	ZINC001164705479	719919378	/nfs/dbraw/zinc/91/93/78/719919378.db2.gz	CCAQMXMCQXPIAU-QJPTWQEYSA-N	-1	3	434.896	2.216	20	0		IEADHM
O=C(CO[C@@H]1CC[C@@H]2[C@H]1OCCN2C(F)(F)c1cc(Cl)nc(=S)[n-]1)N1CCCC1	ZINC001164709053	720084336	/nfs/dbraw/zinc/08/43/36/720084336.db2.gz	ASAZDUQAUSYCQI-XHBSWPGZSA-N	-1	3	448.923	2.339	20	0		IEADHM
CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(=S)[n-]2)O1	ZINC001164727931	720322721	/nfs/dbraw/zinc/32/27/21/720322721.db2.gz	UZLQLPNADOKACV-SRVKXCTJSA-N	-1	3	436.912	2.195	20	0		IEADHM
O=C(COC[C@]12COC[C@H]1CN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2)N1CCCC1	ZINC001164882107	721336714	/nfs/dbraw/zinc/33/67/14/721336714.db2.gz	CIDULYYMCZFHDQ-PXAZEXFGSA-N	-1	3	448.923	2.055	20	0		IEADHM
COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1C[C@H]2OCCN(Cc3c(C)noc3C)[C@@H]2C1	ZINC001164947425	721949982	/nfs/dbraw/zinc/94/99/82/721949982.db2.gz	XIYUQVLMYYNMBB-HZPDHXFCSA-N	-1	3	446.895	2.092	20	0		IEADHM
O=C([O-])[C@]1(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)CCCN(Cc2ccccc2)C1	ZINC001123268179	939817678	/nfs/dbraw/zinc/81/76/78/939817678.db2.gz	PQIOOPZTFHRZIU-VWLOTQADSA-N	-1	3	446.507	2.146	20	0		IEADHM
COc1cc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc2c1OCCO2	ZINC001123269306	939818522	/nfs/dbraw/zinc/81/85/22/939818522.db2.gz	XAOFYVLQAYKXNN-QHCPKHFHSA-N	-1	3	426.469	2.316	20	0		IEADHM
O=C([O-])[C@]1(NC(=O)C2CCN(CC(F)(F)F)CC2)CCCN(Cc2ccccc2)C1	ZINC001123269494	939818654	/nfs/dbraw/zinc/81/86/54/939818654.db2.gz	ZAPLIYFPDAVDHG-FQEVSTJZSA-N	-1	3	427.467	2.496	20	0		IEADHM
C[C@H](C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)n1nnc(-c2ccccc2)n1	ZINC001123269480	939818937	/nfs/dbraw/zinc/81/89/37/939818937.db2.gz	YYJKNOKWRJAPHJ-UZUQRXQVSA-N	-1	3	434.500	2.137	20	0		IEADHM
O=C(NC[C@@H]1OC[C@H]2CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]12)c1ccno1	ZINC001164858533	720910981	/nfs/dbraw/zinc/91/09/81/720910981.db2.gz	NXZITGATNDMVIS-SCVCMEIPSA-N	-1	3	445.879	2.223	20	0		IEADHM
Cn1cccc1C(=O)N1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]2C1	ZINC001165006288	722243873	/nfs/dbraw/zinc/24/38/73/722243873.db2.gz	XVBIOHDGCRHPCZ-WCQYABFASA-N	-1	3	443.907	2.280	20	0		IEADHM
O=C(Nc1cnccn1)[C@@H]1COC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]21	ZINC001164700767	719883919	/nfs/dbraw/zinc/88/39/19/719883919.db2.gz	LADASEDFOZZADU-GARJFASQSA-N	-1	3	442.879	2.091	20	0		IEADHM
O=C(CO[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cc(Cl)nc(=S)[n-]1)N1CCCC1	ZINC001164709048	720084906	/nfs/dbraw/zinc/08/49/06/720084906.db2.gz	ASAZDUQAUSYCQI-HSMVNMDESA-N	-1	3	448.923	2.339	20	0		IEADHM
O=C([C@@H]1Cn2nccc2CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C1)N1CCCC1	ZINC001164819961	720265506	/nfs/dbraw/zinc/26/55/06/720265506.db2.gz	UMFVZAFRVIMNSS-NSHDSACASA-N	-1	3	428.896	2.419	20	0		IEADHM
O=c1cc(Cn2ccnc2)nc2n1CCCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2	ZINC001164855796	720896158	/nfs/dbraw/zinc/89/61/58/720896158.db2.gz	CDVNABDZAZVDST-UHFFFAOYSA-N	-1	3	439.879	2.175	20	0		IEADHM
O=C([C@@H]1CCO[C@H]2CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]12)N1CCCO1	ZINC001164793457	721481563	/nfs/dbraw/zinc/48/15/63/721481563.db2.gz	VOOUAFAFPJZPBU-WOPDTQHZSA-N	-1	3	434.896	2.359	20	0		IEADHM
O=C([C@@H]1CCO[C@H]2CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]12)N1CCCO1	ZINC001164793456	721481729	/nfs/dbraw/zinc/48/17/29/721481729.db2.gz	VOOUAFAFPJZPBU-UTUOFQBUSA-N	-1	3	434.896	2.359	20	0		IEADHM
O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(N2CCN(C[C@@H]3CCCO3)CC2)nc1	ZINC001165044232	721920773	/nfs/dbraw/zinc/92/07/73/721920773.db2.gz	STZCLLWXBMAFSW-INIZCTEOSA-N	-1	3	438.500	2.462	20	0		IEADHM
COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1C[C@H]2OCCN(Cc3c(C)noc3C)[C@H]2C1	ZINC001164947431	721949973	/nfs/dbraw/zinc/94/99/73/721949973.db2.gz	XIYUQVLMYYNMBB-JKSUJKDBSA-N	-1	3	446.895	2.092	20	0		IEADHM
Cn1cccc1C(=O)N1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]2C1	ZINC001165006290	722244021	/nfs/dbraw/zinc/24/40/21/722244021.db2.gz	XVBIOHDGCRHPCZ-YPMHNXCESA-N	-1	3	443.907	2.280	20	0		IEADHM
COc1cc(CC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc(OC)c1OC	ZINC001123371904	939821822	/nfs/dbraw/zinc/82/18/22/939821822.db2.gz	FSTMIVYVGWFTPY-DEOSSOPVSA-N	-1	3	442.512	2.491	20	0		IEADHM
COc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)OCC(=O)N3CCCCC3)c2)cc1	ZINC000003346633	562934605	/nfs/dbraw/zinc/93/46/05/562934605.db2.gz	UWDRATZKZIOFBT-UHFFFAOYSA-N	-1	3	448.497	2.371	20	0		IEADHM
CN(C)C(=O)COCc1noc2c1CN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2	ZINC001164662861	719341622	/nfs/dbraw/zinc/34/16/22/719341622.db2.gz	UNYMYSBOPOUCLQ-UHFFFAOYSA-N	-1	3	433.868	2.119	20	0		IEADHM
O=C([C@H]1Cn2nccc2CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C1)N1CCCC1	ZINC001164819960	720265915	/nfs/dbraw/zinc/26/59/15/720265915.db2.gz	UMFVZAFRVIMNSS-LLVKDONJSA-N	-1	3	428.896	2.419	20	0		IEADHM
O=C([C@@H]1CCO[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]21)N1CCCO1	ZINC001164793455	721481763	/nfs/dbraw/zinc/48/17/63/721481763.db2.gz	VOOUAFAFPJZPBU-IJLUTSLNSA-N	-1	3	434.896	2.359	20	0		IEADHM
O=C([C@@H]1COc2ccccc2O1)N1CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)CC1	ZINC001165050175	721980902	/nfs/dbraw/zinc/98/09/02/721980902.db2.gz	QQCNJBNWYONEFP-ZDUSSCGKSA-N	-1	3	442.875	2.452	20	0		IEADHM
Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1NS(C)(=O)=O	ZINC001123267722	939816981	/nfs/dbraw/zinc/81/69/81/939816981.db2.gz	JSLRNXLYNZFFKA-QFIPXVFZSA-N	-1	3	445.541	2.216	20	0		IEADHM
O=C([O-])[C@@]1(NC(=O)c2cc(N3CCNC3=O)ccc2F)CCCN(Cc2ccccc2)C1	ZINC001123269356	939818380	/nfs/dbraw/zinc/81/83/80/939818380.db2.gz	XRDZZMYDDFSRAS-HSZRJFAPSA-N	-1	3	440.475	2.205	20	0		IEADHM