smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNCCN2CCCCC2)C1=O	ZINC000019995629	518841148	/nfs/dbraw/zinc/84/11/48/518841148.db2.gz	MLMUPJLMERVSHP-SQFISAMPSA-N	-1	3	356.426	1.537	50	10		FDCAHM
CN1CCN(NC=C2C(=O)[N-]C(=S)N(C3CCCCC3)C2=O)CC1	ZINC000020267083	518848112	/nfs/dbraw/zinc/84/81/12/518848112.db2.gz	QNAYWAXFRZMNSO-ACCUITESSA-N	-1	3	351.476	1.039	50	10		FDCAHM
O=C([O-])[C@@H]1[NH2+][C@H](c2ccccc2[O-])[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12	ZINC000102778858	206229518	/nfs/dbraw/zinc/22/95/18/206229518.db2.gz	XSBFBEVMMWSNMH-KLHDSHLOSA-N	-1	3	352.346	1.296	50	10		FDCAHM
COc1ccc(-n2nnnc2C[N-]S(=O)(=O)c2cccs2)cc1	ZINC000009571115	518510047	/nfs/dbraw/zinc/51/00/47/518510047.db2.gz	DQNUVIWJGCOGSR-UHFFFAOYSA-N	-1	3	351.413	1.211	50	10		FDCAHM
COc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)cc(OC)c1[O-]	ZINC000001415660	204005910	/nfs/dbraw/zinc/00/59/10/204005910.db2.gz	VQNLWNHBZOHLJK-LCYFTJDESA-N	-1	3	350.396	1.712	50	10		FDCAHM
COC(=O)c1cc2ccccc2c(CN(C)[C@H]2CCS(=O)(=O)C2)c1[O-]	ZINC000014169427	518681397	/nfs/dbraw/zinc/68/13/97/518681397.db2.gz	XYDHMYLFXPBMAK-ZDUSSCGKSA-N	-1	3	363.435	1.951	50	10		FDCAHM
C[C@@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2[O-])[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	ZINC000014987389	518705007	/nfs/dbraw/zinc/70/50/07/518705007.db2.gz	VULKDOXPKPVHAO-AXHMDWHKSA-N	-1	3	366.373	1.686	50	10		FDCAHM
Cc1cc(=O)oc2c1cc(Cl)c([O-])c2CN[C@H]1CCS(=O)(=O)C1	ZINC000020624272	518855806	/nfs/dbraw/zinc/85/58/06/518855806.db2.gz	SUUXNWCDNNKPPJ-VIFPVBQESA-N	-1	3	357.815	1.737	50	10		FDCAHM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNCCN2CCCCC2)C1=O	ZINC000100768390	132233104	/nfs/dbraw/zinc/23/31/04/132233104.db2.gz	MLMUPJLMERVSHP-FYWRMAATSA-N	-1	3	356.426	1.537	50	10		FDCAHM
Cc1ccccc1N1C(=O)C(=CNCCN2CCCCC2)C(=O)[N-]C1=S	ZINC000019359906	518809022	/nfs/dbraw/zinc/80/90/22/518809022.db2.gz	XYPZWZAZESALID-FYWRMAATSA-N	-1	3	372.494	1.702	50	10		FDCAHM
CCOC(=O)C(=C([O-])c1ccccc1)C1(O)C(=O)c2ccccc2C1=O	ZINC000000636524	206131399	/nfs/dbraw/zinc/13/13/99/206131399.db2.gz	SUAYLIMYBOXOTA-OAHLLOKOSA-N	-1	3	352.342	1.859	50	10		FDCAHM
CN(C)CCNC=C1C(=O)[N-]C(=S)N(c2ccccc2Cl)C1=O	ZINC000002293032	132383100	/nfs/dbraw/zinc/38/31/00/132383100.db2.gz	ZUDLUPLJHQUKLA-KTKRTIGZSA-N	-1	3	352.847	1.123	50	10		FDCAHM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNCCN3CCCCC3)C2=O)c1	ZINC000020023515	526139670	/nfs/dbraw/zinc/13/96/70/526139670.db2.gz	BWZPAJSOJNICRL-DTQAZKPQSA-N	-1	3	372.425	1.237	50	10		FDCAHM
CC(C)C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2[O-])[C@@H]2C(=O)N(C(C)C)C(=O)[C@H]21	ZINC000247962578	537159546	/nfs/dbraw/zinc/15/95/46/537159546.db2.gz	AHUNSMBXSCWDLT-ASKKUZCQSA-N	-1	3	374.437	1.916	50	10		FDCAHM
Cc1cccc(N2C(=O)[C@@H]3[C@H](C(=O)[O-])[NH2+][C@H](c4ccccc4[O-])[C@H]3C2=O)c1	ZINC000245327762	571197120	/nfs/dbraw/zinc/19/71/20/571197120.db2.gz	QNISVIJLYYLWDH-MWDXBVQZSA-N	-1	3	366.373	1.604	50	10		FDCAHM
Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)NCCCn1ccnc1	ZINC000005209070	204196665	/nfs/dbraw/zinc/19/66/65/204196665.db2.gz	MNYQOCVIVUESTK-UHFFFAOYSA-N	-1	3	357.366	1.458	50	10		FDCAHM
COc1cc([N-]S(=O)(=O)c2ccccc2)ccc1NS(C)(=O)=O	ZINC000032088109	519482279	/nfs/dbraw/zinc/48/22/79/519482279.db2.gz	CXRAHMUDVDQYKZ-UHFFFAOYSA-N	-1	3	356.425	1.868	50	10		FDCAHM
Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4[O-])[NH2+][C@@H](C(=O)[O-])[C@H]3C2=O)cc1	ZINC000229879454	537575656	/nfs/dbraw/zinc/57/56/56/537575656.db2.gz	BLOXRCREZXAHLD-YYIAUSFCSA-N	-1	3	366.373	1.604	50	10		FDCAHM
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(F)cc2)c1	ZINC000055107495	205206525	/nfs/dbraw/zinc/20/65/25/205206525.db2.gz	IFYTWGOHGBENGR-UHFFFAOYSA-N	-1	3	352.387	1.875	50	10		FDCAHM
COc1ccc2ccc([O-])c(CN3CCN(CC(=O)NC4CC4)CC3)c2c1	ZINC000022775423	518910578	/nfs/dbraw/zinc/91/05/78/518910578.db2.gz	IZRHUTGRFOVRJG-UHFFFAOYSA-N	-1	3	369.465	1.950	50	10		FDCAHM
Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4[O-])[NH2+][C@@H](C(=O)[O-])[C@H]3C2=O)cc1	ZINC000013555545	518660893	/nfs/dbraw/zinc/66/08/93/518660893.db2.gz	BLOXRCREZXAHLD-LTIDMASMSA-N	-1	3	366.373	1.604	50	10		FDCAHM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNCCN1CCCCC1	ZINC000020025049	527048708	/nfs/dbraw/zinc/04/87/08/527048708.db2.gz	YMNWTSXHUSOISS-DTQAZKPQSA-N	-1	3	356.426	1.224	50	10		FDCAHM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	ZINC000101146719	209380383	/nfs/dbraw/zinc/38/03/83/209380383.db2.gz	VULKDOXPKPVHAO-MFCZKXCZSA-N	-1	3	366.373	1.686	50	10		FDCAHM
CCc1ccc(N2C(=O)[N-]C(=O)C(=CNCCN3CCCCC3)C2=O)cc1	ZINC000019361283	518808435	/nfs/dbraw/zinc/80/84/35/518808435.db2.gz	BRMQQPHSASGUJE-SAPNQHFASA-N	-1	3	370.453	1.791	50	10		FDCAHM
CCN(CC)CCNNC=C1C(=O)[N-]C(=S)N(C2CCCCC2)C1=O	ZINC000020442237	518849708	/nfs/dbraw/zinc/84/97/08/518849708.db2.gz	VRPMNNPKYZFGEP-WYMLVPIESA-N	-1	3	367.519	1.723	50	10		FDCAHM
CC(C)C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2[O-])[C@@H]2C(=O)N(C(C)C)C(=O)[C@@H]21	ZINC000169293784	525624699	/nfs/dbraw/zinc/62/46/99/525624699.db2.gz	AHUNSMBXSCWDLT-NLDJYOPPSA-N	-1	3	374.437	1.916	50	10		FDCAHM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=CNCCN1CCCCC1	ZINC000100769541	132233099	/nfs/dbraw/zinc/23/30/99/132233099.db2.gz	HZLRHKRPNLNQCC-NTCAYCPXSA-N	-1	3	360.389	1.368	50	10		FDCAHM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNCCN3CCCCC3)C2=O)cc1	ZINC000019608022	518822387	/nfs/dbraw/zinc/82/23/87/518822387.db2.gz	BWLIUNSADVVUGK-SSZFMOIBSA-N	-1	3	372.425	1.237	50	10		FDCAHM
O=S1(=O)N=C2CCCCCN2[C@@H](c2ccc(N3CCOCC3)cc2)[N-]1	ZINC000006820549	518388252	/nfs/dbraw/zinc/38/82/52/518388252.db2.gz	JSSDGBCCFCBVCG-KRWDZBQOSA-N	-1	3	364.471	1.644	50	10		FDCAHM
CC(=O)[C@]1(O)Cc2c([O-])c3c(c(O)c2[C@@H](O)C1)C(=O)c1ccccc1C3=O	ZINC000005167062	207084374	/nfs/dbraw/zinc/08/43/74/207084374.db2.gz	ZUFQFGSMHXKORU-YUNKPMOVSA-N	-1	3	368.341	1.173	50	10		FDCAHM
COc1ccc(N2CCN(C(=O)Cc3cnc(C)[n-]c3=O)CC2(C)C)cc1	ZINC000077505451	132188345	/nfs/dbraw/zinc/18/83/45/132188345.db2.gz	DQTLTZREOQHTEW-UHFFFAOYSA-N	-1	3	370.453	1.757	50	10		FDCAHM
Cc1nc(C)c(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(=O)[n-]1	ZINC000031221310	136117277	/nfs/dbraw/zinc/11/72/77/136117277.db2.gz	MGUFCVOVJBCROI-UHFFFAOYSA-N	-1	3	370.453	1.424	50	10		FDCAHM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2[O-])[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	ZINC000242688598	571196495	/nfs/dbraw/zinc/19/64/95/571196495.db2.gz	VULKDOXPKPVHAO-ASKKUZCQSA-N	-1	3	366.373	1.686	50	10		FDCAHM
CCOC(=O)Cc1cc(=O)[n-]c(N2CCN(c3ccc(OC)cc3)CC2)n1	ZINC000013549978	518661044	/nfs/dbraw/zinc/66/10/44/518661044.db2.gz	RRCHWJCHMZOAOF-UHFFFAOYSA-N	-1	3	372.425	1.211	50	10		FDCAHM
O=C([O-])[C@@H]1[NH2+][C@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12	ZINC000020547409	518853523	/nfs/dbraw/zinc/85/35/23/518853523.db2.gz	NRVUKFSIEGMACV-CAOSSQGBSA-N	-1	3	370.336	1.435	50	10		FDCAHM
COC(=O)Cc1c(C)c2ccc([O-])c(CN3CCN(C)CC3)c2oc1=O	ZINC000020646683	211291754	/nfs/dbraw/zinc/29/17/54/211291754.db2.gz	WJVSFQWZOQBJOQ-UHFFFAOYSA-N	-1	3	360.410	1.270	50	10		FDCAHM
CN(C)c1ccc([C@@H]2[C@H](S(=O)(=O)[N-]C[C@@H]3CCCO3)CON2C)cc1	ZINC000034669265	519593895	/nfs/dbraw/zinc/59/38/95/519593895.db2.gz	IFTWMMHPFXJWCU-GVDBMIGSSA-N	-1	3	369.487	1.138	50	10		FDCAHM
CN(C)c1ccc([C@@H]2[C@@H](S(=O)(=O)[N-]C[C@H]3CCCO3)CON2C)cc1	ZINC000248031465	537163184	/nfs/dbraw/zinc/16/31/84/537163184.db2.gz	IFTWMMHPFXJWCU-IXDOHACOSA-N	-1	3	369.487	1.138	50	10		FDCAHM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNCCN3CCCCC3)C2=O)cc1	ZINC000100785881	525216045	/nfs/dbraw/zinc/21/60/45/525216045.db2.gz	BWLIUNSADVVUGK-DTQAZKPQSA-N	-1	3	372.425	1.237	50	10		FDCAHM
O=C(c1cccc(O)c1[O-])N1CCC[C@]2(CCC(=O)N(CCCO)C2)C1	ZINC000082092305	526771762	/nfs/dbraw/zinc/77/17/62/526771762.db2.gz	LIMDWTFLHIPAIE-LJQANCHMSA-N	-1	3	362.426	1.325	50	10		FDCAHM
CN(C)CCNC=C1C(=O)[N-]C(=S)N(c2ccccc2Cl)C1=O	ZINC000096101662	132219046	/nfs/dbraw/zinc/21/90/46/132219046.db2.gz	ZUDLUPLJHQUKLA-MDZDMXLPSA-N	-1	3	352.847	1.123	50	10		FDCAHM
CCOC(=O)CN=C(C)C1=C([O-])N(c2ccccc2)NC1=CC(=O)OC	ZINC000004741358	518311336	/nfs/dbraw/zinc/31/13/36/518311336.db2.gz	ZOLMFCHOBYMCDH-ATVHPVEESA-N	-1	3	359.382	1.379	50	10		FDCAHM
COC(NC(C)=O)=C1N[C@@H](c2ccccc2[O-])c2ccccc2NC1=O	ZINC000028294412	519231564	/nfs/dbraw/zinc/23/15/64/519231564.db2.gz	ZRKSRMFJMQDZTR-GWOGKKTRSA-N	-1	3	353.378	1.975	50	10		FDCAHM
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc([O-])cc3)C(=N)N21	ZINC000020206570	211273219	/nfs/dbraw/zinc/27/32/19/211273219.db2.gz	KAXOXEQEIHACPS-DDADGOEASA-N	-1	3	364.408	1.404	50	10		FDCAHM
CN(C)CCNC=C1C(=O)[N-]C(=S)N(CCC2=CCCCC2)C1=O	ZINC000002396407	210396181	/nfs/dbraw/zinc/39/61/81/210396181.db2.gz	NTAYTWVWGKPYDR-WYMLVPIESA-N	-1	3	350.488	1.155	50	10		FDCAHM
N=C1Nc2nc3cc4c(cc3n2[C@H](c2cccc(O)c2[O-])N1)OCCCO4	ZINC000012539408	518619950	/nfs/dbraw/zinc/61/99/50/518619950.db2.gz	ZDGMUFSEXJOYNT-MRXNPFEDSA-N	-1	3	367.365	1.705	50	10		FDCAHM
Cc1cccc(N2C(=O)[C@H]3[C@H](c4ccccc4[O-])[NH2+][C@@H](C(=O)[O-])[C@H]3C2=O)c1	ZINC000013557051	220073513	/nfs/dbraw/zinc/07/35/13/220073513.db2.gz	QNISVIJLYYLWDH-LTIDMASMSA-N	-1	3	366.373	1.604	50	10		FDCAHM
O=C([O-])[C@@H]1[NH2+][C@H](c2ccccc2[O-])[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]12	ZINC000020547957	211285016	/nfs/dbraw/zinc/28/50/16/211285016.db2.gz	KENILDLXYYDYKP-CAOSSQGBSA-N	-1	3	370.336	1.435	50	10		FDCAHM
CCCCCCN1C(=O)[N-]C(=O)C(=CNCCN2CCCCC2)C1=O	ZINC000020024854	520077099	/nfs/dbraw/zinc/07/70/99/520077099.db2.gz	VAEUSZSNRUXSTP-PFONDFGASA-N	-1	3	350.463	1.605	50	10		FDCAHM
O=C([O-])[C@@H]1[NH2+][C@H](c2ccccc2[O-])[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]12	ZINC000245326447	210210845	/nfs/dbraw/zinc/21/08/45/210210845.db2.gz	KENILDLXYYDYKP-ZJIFWQFVSA-N	-1	3	370.336	1.435	50	10		FDCAHM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2[O-])[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	ZINC000169676152	525626166	/nfs/dbraw/zinc/62/61/66/525626166.db2.gz	VULKDOXPKPVHAO-NLDJYOPPSA-N	-1	3	366.373	1.686	50	10		FDCAHM
COc1ccc(N2CCN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)CC2(C)C)cc1	ZINC000077427051	132184821	/nfs/dbraw/zinc/18/48/21/132184821.db2.gz	FVJNXGCUTIYHOC-UHFFFAOYSA-N	-1	3	358.398	1.225	50	10		FDCAHM
O=C([O-])[C@@H]1[NH2+][C@H](c2ccccc2[O-])[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12	ZINC000005307312	518339930	/nfs/dbraw/zinc/33/99/30/518339930.db2.gz	NRVUKFSIEGMACV-QKPAOTATSA-N	-1	3	370.336	1.435	50	10		FDCAHM
Cc1cccc(N2C(=O)C(=CNN3CCN(C)CC3)C(=O)[N-]C2=S)c1	ZINC000020324986	518846533	/nfs/dbraw/zinc/84/65/33/518846533.db2.gz	SYXCCDOXMJUFQI-SDNWHVSQSA-N	-1	3	359.455	1.219	50	10		FDCAHM
Cc1cccc(N2C(=O)[C@@H]3[C@H](C(=O)[O-])[NH2+][C@@H](c4ccccc4[O-])[C@H]3C2=O)c1	ZINC000245327761	571197151	/nfs/dbraw/zinc/19/71/51/571197151.db2.gz	QNISVIJLYYLWDH-LUKYLMHMSA-N	-1	3	366.373	1.604	50	10		FDCAHM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNCCN1CCCCC1	ZINC000100757691	132233046	/nfs/dbraw/zinc/23/30/46/132233046.db2.gz	LTBLOUIFVSOLGU-OUKQBFOZSA-N	-1	3	360.389	1.368	50	10		FDCAHM
O=S1(=O)N=C2CCCCCN2[C@H](c2ccc(N3CCOCC3)cc2)[N-]1	ZINC000006820543	132836535	/nfs/dbraw/zinc/83/65/35/132836535.db2.gz	JSSDGBCCFCBVCG-QGZVFWFLSA-N	-1	3	364.471	1.644	50	10		FDCAHM
CCS(=O)(=O)N1CCN(Cc2cc(Br)ccc2[O-])CC1	ZINC000019520351	220266510	/nfs/dbraw/zinc/26/65/10/220266510.db2.gz	SIXBRIXMOMXMEH-UHFFFAOYSA-N	-1	3	363.277	1.622	50	10		FDCAHM
O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNCCN1CCCCC1	ZINC000100786348	525215995	/nfs/dbraw/zinc/21/59/95/525215995.db2.gz	DJFYQXLWVNFCCJ-BMRADRMJSA-N	-1	3	370.453	1.267	50	10		FDCAHM
O=C([O-])[C@@H]1[NH2+][C@H](c2ccccc2[O-])[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]12	ZINC000227057583	537569502	/nfs/dbraw/zinc/56/95/02/537569502.db2.gz	KENILDLXYYDYKP-KLHDSHLOSA-N	-1	3	370.336	1.435	50	10		FDCAHM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	ZINC000014987392	220140399	/nfs/dbraw/zinc/14/03/99/220140399.db2.gz	VULKDOXPKPVHAO-ROYATCLZSA-N	-1	3	366.373	1.686	50	10		FDCAHM
CCCc1cc(=O)oc2c1ccc([O-])c2CN[C@@H]1CCS(=O)(=O)C1	ZINC000009305964	518501953	/nfs/dbraw/zinc/50/19/53/518501953.db2.gz	NUVUZTGZMPYNEE-GFCCVEGCSA-N	-1	3	351.424	1.728	50	10		FDCAHM
CC(=O)C1[C@@H](c2cc([N+](=O)[O-])ccc2[O-])NC(=O)N[C@@]1(O)C(F)(F)F	ZINC000012377534	518607535	/nfs/dbraw/zinc/60/75/35/518607535.db2.gz	WTHPTSFYYHZJHZ-FOGDFJRCSA-N	-1	3	363.248	1.110	50	10		FDCAHM
CN(C)CCNC=C1C(=O)[N-]C(=O)N(c2cccc3ccccc32)C1=O	ZINC000018163513	518794307	/nfs/dbraw/zinc/79/43/07/518794307.db2.gz	AQHOKDSRXVQAGP-QINSGFPZSA-N	-1	3	352.394	1.458	50	10		FDCAHM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=CNCCN1CCCCC1	ZINC000019995842	518840906	/nfs/dbraw/zinc/84/09/06/518840906.db2.gz	HZLRHKRPNLNQCC-QINSGFPZSA-N	-1	3	360.389	1.368	50	10		FDCAHM
CC(C)C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2[O-])[C@H]2C(=O)N(C(C)C)C(=O)[C@@H]21	ZINC000013147083	220059674	/nfs/dbraw/zinc/05/96/74/220059674.db2.gz	AHUNSMBXSCWDLT-ROYATCLZSA-N	-1	3	374.437	1.916	50	10		FDCAHM
CC(=O)[C@H]1Cc2c([O-])c3c(c(O)c2[C@@H](O)C1)C(=O)c1ncc(C)cc1C3=O	ZINC000101408202	222272826	/nfs/dbraw/zinc/27/28/26/222272826.db2.gz	GZHKMLLICGLVCE-CABZTGNLSA-N	-1	3	367.357	1.761	50	10		FDCAHM
O=C([O-])[C@@H]1[NH2+][C@H](c2ccccc2[O-])[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]12	ZINC000005323741	518339530	/nfs/dbraw/zinc/33/95/30/518339530.db2.gz	KENILDLXYYDYKP-QKPAOTATSA-N	-1	3	370.336	1.435	50	10		FDCAHM
CN(C)CCNC=C1C(=O)[N-]C(=S)N(c2ccc(Cl)cc2)C1=O	ZINC000100774189	132233065	/nfs/dbraw/zinc/23/30/65/132233065.db2.gz	GCGXVBPQOJWMBI-FMIVXFBMSA-N	-1	3	352.847	1.123	50	10		FDCAHM
CN(C)CCNC=C1C(=O)[N-]C(=S)N(c2cccc(Cl)c2)C1=O	ZINC000002592387	132383726	/nfs/dbraw/zinc/38/37/26/132383726.db2.gz	WJTBPJUONQHKFB-FMIVXFBMSA-N	-1	3	352.847	1.123	50	10		FDCAHM
CCc1[nH]nc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)c1C(=O)OC	ZINC000033256045	519583271	/nfs/dbraw/zinc/58/32/71/519583271.db2.gz	PJCIKSFZWZWION-UHFFFAOYSA-N	-1	3	366.443	1.303	50	10		FDCAHM
CN(C)c1ccc([C@@H]2[C@@H](S(=O)(=O)[N-]C[C@@H]3CCCO3)CON2C)cc1	ZINC000169679936	525626383	/nfs/dbraw/zinc/62/63/83/525626383.db2.gz	IFTWMMHPFXJWCU-YESZJQIVSA-N	-1	3	369.487	1.138	50	10		FDCAHM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCN3CCCCC3)C2=O)cc1	ZINC000100756948	132233164	/nfs/dbraw/zinc/23/31/64/132233164.db2.gz	ZHUWQXRVXTXZQI-DTQAZKPQSA-N	-1	3	356.426	1.537	50	10		FDCAHM
Cc1cccc(N2C(=O)C(=CNCCN3CCCCC3)C(=O)[N-]C2=S)c1	ZINC000020025318	518842745	/nfs/dbraw/zinc/84/27/45/518842745.db2.gz	IHWFFNNBGVYLPU-DTQAZKPQSA-N	-1	3	372.494	1.702	50	10		FDCAHM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNCCN1CCCCC1	ZINC000020023289	518843525	/nfs/dbraw/zinc/84/35/25/518843525.db2.gz	NETNAUIEOBMZNM-FYWRMAATSA-N	-1	3	358.467	1.394	50	10		FDCAHM
Cc1ccccc1N1C(=O)C(=CNN2CCN(C)CC2)C(=O)[N-]C1=S	ZINC000020292478	518848043	/nfs/dbraw/zinc/84/80/43/518848043.db2.gz	JIVQMZAVSYUVBS-ACCUITESSA-N	-1	3	359.455	1.219	50	10		FDCAHM
COc1ccc2c3c(n([N-]C(N)=O)c(=O)c2c1OC)-c1ccccc1C3=O	ZINC000824764575	923209386	/nfs/dbraw/zinc/20/93/86/923209386.db2.gz	IPHDYQDPKBRWGP-UHFFFAOYSA-N	-1	3	365.345	1.852	50	10		FDCAHM
C/C(=C1\C(C)=NN(c2nc3ccccc3[n-]2)C1=O)N1CCC(C(N)=O)CC1	ZINC000013856402	518669734	/nfs/dbraw/zinc/66/97/34/518669734.db2.gz	NDMYGAMBEXTYJU-VBKFSLOCSA-N	-1	3	366.425	1.757	50	10		FDCAHM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCN3CCCCC3)C2=O)cc1C	ZINC000101038774	132233467	/nfs/dbraw/zinc/23/34/67/132233467.db2.gz	ZWEQXCHABREFHP-GHRIWEEISA-N	-1	3	370.453	1.846	50	10		FDCAHM
CC(=O)C1[C@H](c2cc([N+](=O)[O-])ccc2[O-])NC(=O)N[C@@]1(O)C(F)(F)F	ZINC000012377536	518608109	/nfs/dbraw/zinc/60/81/09/518608109.db2.gz	WTHPTSFYYHZJHZ-SCVCMEIPSA-N	-1	3	363.248	1.110	50	10		FDCAHM
CN(C)CC(=O)Nc1c([O-])n(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000002160161	204027266	/nfs/dbraw/zinc/02/72/66/204027266.db2.gz	FLCJMAVUIQLFTE-UHFFFAOYSA-N	-1	3	352.394	1.028	50	10		FDCAHM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNCCN2CCCCC2)C1=O	ZINC000100796284	206225561	/nfs/dbraw/zinc/22/55/61/206225561.db2.gz	QIYOOXPEXHJADC-BUHFOSPRSA-N	-1	3	372.425	1.237	50	10		FDCAHM
COC(NC(C)=O)=C1N[C@H](c2ccccc2[O-])c2ccccc2NC1=O	ZINC000028294414	519231430	/nfs/dbraw/zinc/23/14/30/519231430.db2.gz	ZRKSRMFJMQDZTR-QBHGPPCGSA-N	-1	3	353.378	1.975	50	10		FDCAHM
COC(=O)c1cc2ccccc2c(CN(C)[C@@H]2CCS(=O)(=O)C2)c1[O-]	ZINC000014169426	518681032	/nfs/dbraw/zinc/68/10/32/518681032.db2.gz	XYDHMYLFXPBMAK-CYBMUJFWSA-N	-1	3	363.435	1.951	50	10		FDCAHM
O=C(c1cccnc1)n1[n-]c(-c2ccccc2[O-])c(C[NH+]2CCCC2)c1=O	ZINC000019800659	518838286	/nfs/dbraw/zinc/83/82/86/518838286.db2.gz	BFGNMIBFJRRYQD-MRXNPFEDSA-N	-1	3	364.405	1.886	50	10		FDCAHM
COC(=O)C=c1[n-]n(-c2nc3ccccc3s2)c(=O)c1=C(C)NCCO	ZINC000101842184	525257200	/nfs/dbraw/zinc/25/72/00/525257200.db2.gz	HYCRSKQXRXROTN-XNTDXEJSSA-N	-1	3	374.422	1.418	50	10		FDCAHM
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc([O-])cc3)C(=N)N21	ZINC000004971119	204181340	/nfs/dbraw/zinc/18/13/40/204181340.db2.gz	DMGRCALECUWLPD-OAOWJTDASA-N	-1	3	350.381	1.013	50	10		FDCAHM
CCN(CC)CCNNC=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000020267167	520687186	/nfs/dbraw/zinc/68/71/86/520687186.db2.gz	CAXSETKBNLTABX-WYMLVPIESA-N	-1	3	361.471	1.595	50	10		FDCAHM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1	ZINC000000798651	203952079	/nfs/dbraw/zinc/95/20/79/203952079.db2.gz	SASXSAZGEGVRQM-UHFFFAOYSA-N	-1	3	365.363	1.768	50	10		FDCAHM
CC(=O)NCc1ccc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)s1	ZINC000048342629	205159653	/nfs/dbraw/zinc/15/96/53/205159653.db2.gz	MVRVVWPCQCAZQQ-UHFFFAOYSA-N	-1	3	367.496	1.929	50	10		FDCAHM
COc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)cc(OC)c1[O-]	ZINC000013838477	518669536	/nfs/dbraw/zinc/66/95/36/518669536.db2.gz	VQNLWNHBZOHLJK-UKTHLTGXSA-N	-1	3	350.396	1.712	50	10		FDCAHM
O=C(CN1CCOCC1)N1CCN(Cc2c([O-])ccc3ccccc32)CC1	ZINC000014197205	518682789	/nfs/dbraw/zinc/68/27/89/518682789.db2.gz	MDGUYQSEBXVXQO-UHFFFAOYSA-N	-1	3	369.465	1.522	50	10		FDCAHM
C/C(=C1/C(C)=NN(c2nc3ccccc3[n-]2)C1=O)N1CCC(C(N)=O)CC1	ZINC000102545449	525293856	/nfs/dbraw/zinc/29/38/56/525293856.db2.gz	NDMYGAMBEXTYJU-FOWTUZBSSA-N	-1	3	366.425	1.757	50	10		FDCAHM
COc1ccc(N2CCN(C(=O)COC(=O)c3ccc([O-])cc3)CC2)cc1	ZINC000003555398	536682309	/nfs/dbraw/zinc/68/23/09/536682309.db2.gz	DZCMSEKGCAGFIT-UHFFFAOYSA-N	-1	3	370.405	1.906	50	10		FDCAHM
CC(C)C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2[O-])[C@H]2C(=O)N(C(C)C)C(=O)[C@H]21	ZINC000247962581	537159657	/nfs/dbraw/zinc/15/96/57/537159657.db2.gz	AHUNSMBXSCWDLT-MFCZKXCZSA-N	-1	3	374.437	1.916	50	10		FDCAHM
CC(=O)[C@@H]1Cc2c([O-])c3c(c(O)c2[C@@H](O)C1)C(=O)c1ncc(C)cc1C3=O	ZINC000000721536	518218538	/nfs/dbraw/zinc/21/85/38/518218538.db2.gz	GZHKMLLICGLVCE-SKDRFNHKSA-N	-1	3	367.357	1.761	50	10		FDCAHM
COc1ccc(CC(=O)N2CCN(C(=O)c3cc([O-])cs3)CC2)cc1	ZINC000101073050	570804720	/nfs/dbraw/zinc/80/47/20/570804720.db2.gz	YHSHIGXNCADPJQ-UHFFFAOYSA-N	-1	3	360.435	1.989	50	10		FDCAHM
CC(=O)C1[C@@H](c2cc([N+](=O)[O-])ccc2[O-])NC(=O)N[C@]1(O)C(F)(F)F	ZINC000036056791	208142801	/nfs/dbraw/zinc/14/28/01/208142801.db2.gz	WTHPTSFYYHZJHZ-CKYFFXLPSA-N	-1	3	363.248	1.110	50	10		FDCAHM
CN(CCO)C(=O)[C@H]1[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]21	ZINC000102836145	209241853	/nfs/dbraw/zinc/24/18/53/209241853.db2.gz	QEERCTKUANCMBV-IMRBUKKESA-N	-1	3	359.253	1.828	50	10		FDCAHM
CN1C(=O)C(=Cc2cc(Br)c([O-])cc2O)C(=O)N(C)C1=O	ZINC000006444717	207141094	/nfs/dbraw/zinc/14/10/94/207141094.db2.gz	JEVYATIEARWJLL-UHFFFAOYSA-N	-1	3	355.144	1.294	50	10		FDCAHM
CC(=O)C1[C@H](c2cc([N+](=O)[O-])ccc2[O-])NC(=O)N[C@]1(O)C(F)(F)F	ZINC000034633921	208104631	/nfs/dbraw/zinc/10/46/31/208104631.db2.gz	WTHPTSFYYHZJHZ-JFGNBEQYSA-N	-1	3	363.248	1.110	50	10		FDCAHM
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1[O-]	ZINC000002831797	518251696	/nfs/dbraw/zinc/25/16/96/518251696.db2.gz	DKLMMLWDNGMVQU-UHFFFAOYSA-N	-1	3	369.171	1.597	50	10		FDCAHM
CCCc1cc(=O)oc2c1ccc([O-])c2CN[C@H]1CCS(=O)(=O)C1	ZINC000009305966	207264759	/nfs/dbraw/zinc/26/47/59/207264759.db2.gz	NUVUZTGZMPYNEE-LBPRGKRZSA-N	-1	3	351.424	1.728	50	10		FDCAHM
CC(C)n1[n-]c(=O)c2c1nc1[nH]c(=O)n(C)c1c2-c1ccc(O)c(O)c1	ZINC000079490166	208943374	/nfs/dbraw/zinc/94/33/74/208943374.db2.gz	BZUISFQGQMEESD-UHFFFAOYSA-N	-1	3	355.354	1.976	50	10		FDCAHM
COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)ccc1-n1cnnc1	ZINC000015083438	518708995	/nfs/dbraw/zinc/70/89/95/518708995.db2.gz	LBMAWYFAUYYIBI-UHFFFAOYSA-N	-1	3	374.378	1.805	50	10		FDCAHM
Cc1ccc(N2C(=O)C(=CNCCN3CCCCC3)C(=O)[N-]C2=S)cc1	ZINC000019996347	518841050	/nfs/dbraw/zinc/84/10/50/518841050.db2.gz	CMMZMHPJZOEOEE-DTQAZKPQSA-N	-1	3	372.494	1.702	50	10		FDCAHM
O=C([O-])[C@@H]1[NH2+][C@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12	ZINC000102778861	525306024	/nfs/dbraw/zinc/30/60/24/525306024.db2.gz	XSBFBEVMMWSNMH-ZJIFWQFVSA-N	-1	3	352.346	1.296	50	10		FDCAHM
COc1ccc(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)c([O-])c1	ZINC000031421360	519435518	/nfs/dbraw/zinc/43/55/18/519435518.db2.gz	FLFGVTZNJFJWOQ-UHFFFAOYSA-N	-1	3	355.394	1.267	50	10		FDCAHM
Cc1cc(C)c(N2C(=O)C(=CNCCN(C)C)C(=O)[N-]C2=S)c(C)c1	ZINC000101205182	132233849	/nfs/dbraw/zinc/23/38/49/132233849.db2.gz	DKAZEGWHNSIXHD-GXDHUFHOSA-N	-1	3	360.483	1.395	50	10		FDCAHM
Cc1cc(C)c(N2C(=O)C(=CNCCN(C)C)C(=O)[N-]C2=S)c(C)c1	ZINC000020477251	518850505	/nfs/dbraw/zinc/85/05/05/518850505.db2.gz	DKAZEGWHNSIXHD-UVTDQMKNSA-N	-1	3	360.483	1.395	50	10		FDCAHM
Cc1ccc(N2C(=O)[C@@H]3[C@H](C(=O)[O-])[NH2+][C@H](c4ccccc4[O-])[C@H]3C2=O)cc1	ZINC000102779234	525304917	/nfs/dbraw/zinc/30/49/17/525304917.db2.gz	BLOXRCREZXAHLD-MWDXBVQZSA-N	-1	3	366.373	1.604	50	10		FDCAHM
N=C1/C(=C\c2ccc([O-])cc2)C(=O)N=C2SC(N3CCOCC3)=NN21	ZINC000020356618	518848682	/nfs/dbraw/zinc/84/86/82/518848682.db2.gz	VUOOPANZSDMMRP-AOAZTSALSA-N	-1	3	357.395	1.301	50	10		FDCAHM
CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3[O-])cc2)CC1	ZINC000170604778	525641595	/nfs/dbraw/zinc/64/15/95/525641595.db2.gz	UPEKNVQXADUIEQ-UHFFFAOYSA-N	-1	3	353.422	1.991	50	10		FDCAHM
CC(=O)[C@H]1Cc2c([O-])c3c(c(O)c2[C@H](O)C1)C(=O)c1ncc(C)cc1C3=O	ZINC000101408200	222272546	/nfs/dbraw/zinc/27/25/46/222272546.db2.gz	GZHKMLLICGLVCE-JOYOIKCWSA-N	-1	3	367.357	1.761	50	10		FDCAHM
Cc1ccc(N2C(=O)C(=CNN3CCN(C)CC3)C(=O)[N-]C2=S)cc1	ZINC000020289183	518846371	/nfs/dbraw/zinc/84/63/71/518846371.db2.gz	YTUNVHFOCJTIER-SDNWHVSQSA-N	-1	3	359.455	1.219	50	10		FDCAHM
COc1ccc(N2CCN(C(=O)c3cnc(C)[n-]c3=O)CC2(C)C)cc1	ZINC000077566195	536690066	/nfs/dbraw/zinc/69/00/66/536690066.db2.gz	VGUCEWWJSFYVIY-UHFFFAOYSA-N	-1	3	356.426	1.828	50	10		FDCAHM
COC(=O)C=c1[n-]n(-c2nc3ccccc3s2)c(=O)c1=C(C)NCCO	ZINC000004999629	518325700	/nfs/dbraw/zinc/32/57/00/518325700.db2.gz	HYCRSKQXRXROTN-GDNBJRDFSA-N	-1	3	374.422	1.418	50	10		FDCAHM
O=C(c1cccnc1)n1[n-]c(-c2ccccc2[O-])c(C[NH+]2CCCC2)c1=O	ZINC000247812589	537151825	/nfs/dbraw/zinc/15/18/25/537151825.db2.gz	BFGNMIBFJRRYQD-INIZCTEOSA-N	-1	3	364.405	1.886	50	10		FDCAHM
CCOC(=O)C(=C([O-])c1ccccc1)C1(O)C(=O)c2ccccc2C1=O	ZINC000000636527	219307938	/nfs/dbraw/zinc/30/79/38/219307938.db2.gz	SUAYLIMYBOXOTA-HNNXBMFYSA-N	-1	3	352.342	1.859	50	10		FDCAHM
CCN1CCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)[N-]C(=O)NC2=O)CC1	ZINC000009015864	518495511	/nfs/dbraw/zinc/49/55/11/518495511.db2.gz	HSPPVBFCIAQZTE-UHFFFAOYSA-N	-1	3	373.369	1.326	50	10		FDCAHM
Cc1ccc(N2C(=O)[C@@H]3[C@H](C(=O)[O-])[NH2+][C@@H](c4ccccc4[O-])[C@H]3C2=O)cc1	ZINC000102779240	525304934	/nfs/dbraw/zinc/30/49/34/525304934.db2.gz	BLOXRCREZXAHLD-LUKYLMHMSA-N	-1	3	366.373	1.604	50	10		FDCAHM
COc1ccc(-n2nnnc2C[N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000009571112	210294211	/nfs/dbraw/zinc/29/42/11/210294211.db2.gz	FMKDBRCADCPZEW-UHFFFAOYSA-N	-1	3	363.374	1.289	50	10		FDCAHM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNCCN2CCCCC2)C1=O	ZINC000020025341	524535822	/nfs/dbraw/zinc/53/58/22/524535822.db2.gz	QIYOOXPEXHJADC-YPKPFQOOSA-N	-1	3	372.425	1.237	50	10		FDCAHM
O=C([O-])[C@@H]1[NH2+][C@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12	ZINC000013555250	211038858	/nfs/dbraw/zinc/03/88/58/211038858.db2.gz	XSBFBEVMMWSNMH-CAOSSQGBSA-N	-1	3	352.346	1.296	50	10		FDCAHM
O=C(c1cccc(O)c1[O-])N1CCC[C@@]2(CCC(=O)N(CCCO)C2)C1	ZINC000082092307	526771035	/nfs/dbraw/zinc/77/10/35/526771035.db2.gz	LIMDWTFLHIPAIE-IBGZPJMESA-N	-1	3	362.426	1.325	50	10		FDCAHM
CC(C)c1ccc(N2C(=O)C(=CNCCN(C)C)C(=O)[N-]C2=S)cc1	ZINC000019949523	518840665	/nfs/dbraw/zinc/84/06/65/518840665.db2.gz	BHDVNNODYPWUAQ-RVDMUPIBSA-N	-1	3	360.483	1.593	50	10		FDCAHM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNCCN3CCCCC3)C2=O)c1	ZINC000019949153	524533214	/nfs/dbraw/zinc/53/32/14/524533214.db2.gz	UDENTDYAXQAECD-DTQAZKPQSA-N	-1	3	356.426	1.537	50	10		FDCAHM
Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4[O-])[NH2+][C@@H](C(=O)[O-])[C@H]3C2=O)c1	ZINC000229885496	222896778	/nfs/dbraw/zinc/89/67/78/222896778.db2.gz	QNISVIJLYYLWDH-YYIAUSFCSA-N	-1	3	366.373	1.604	50	10		FDCAHM
CC(=O)[N-]C1=NC(=O)/C(=C\c2ccc(I)o2)S1	ZINC000005668709	518351869	/nfs/dbraw/zinc/35/18/69/518351869.db2.gz	OAOTWUUMIJEKMM-QPJJXVBHSA-N	-1	3	362.148	1.991	50	10		FDCAHM
N=C1Nc2nc3cc4c(cc3n2[C@@H](c2cccc(O)c2[O-])N1)OCCCO4	ZINC000012539407	518620567	/nfs/dbraw/zinc/62/05/67/518620567.db2.gz	ZDGMUFSEXJOYNT-INIZCTEOSA-N	-1	3	367.365	1.705	50	10		FDCAHM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCN3CCCCC3)C2=O)cc1C	ZINC000020267664	524927221	/nfs/dbraw/zinc/92/72/21/524927221.db2.gz	ZWEQXCHABREFHP-LGMDPLHJSA-N	-1	3	370.453	1.846	50	10		FDCAHM
O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNCCN1CCCCC1	ZINC000020023255	527048002	/nfs/dbraw/zinc/04/80/02/527048002.db2.gz	DJFYQXLWVNFCCJ-ICFOKQHNSA-N	-1	3	370.453	1.267	50	10		FDCAHM
CN(C)c1ccc([C@@H]2[C@H](S(=O)(=O)[N-]C[C@H]3CCCO3)CON2C)cc1	ZINC000248031459	537163420	/nfs/dbraw/zinc/16/34/20/537163420.db2.gz	IFTWMMHPFXJWCU-BRWVUGGUSA-N	-1	3	369.487	1.138	50	10		FDCAHM
O=C([O-])[C@@H]1[NH2+][C@H](c2ccccc2[O-])[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12	ZINC000102778863	525305943	/nfs/dbraw/zinc/30/59/43/525305943.db2.gz	XSBFBEVMMWSNMH-QKPAOTATSA-N	-1	3	352.346	1.296	50	10		FDCAHM
Cc1cc(=O)oc2c1cc(Cl)c([O-])c2CN[C@@H]1CCS(=O)(=O)C1	ZINC000020624269	220338055	/nfs/dbraw/zinc/33/80/55/220338055.db2.gz	SUUXNWCDNNKPPJ-SECBINFHSA-N	-1	3	357.815	1.737	50	10		FDCAHM
[O-]c1c(O)c(CN2CCOCC2)c2ccccc2c1CN1CCOCC1	ZINC000020533789	220330985	/nfs/dbraw/zinc/33/09/85/220330985.db2.gz	ATRVAVIQJJOZMW-UHFFFAOYSA-N	-1	3	358.438	1.915	50	10		FDCAHM
CN(C)CCNC=C1C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O	ZINC000002302024	132383270	/nfs/dbraw/zinc/38/32/70/132383270.db2.gz	RNJHJKPGEVNHBE-FMIVXFBMSA-N	-1	3	370.331	1.323	50	10		FDCAHM
O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=CNCCN1CCCCC1	ZINC000101034105	222260745	/nfs/dbraw/zinc/26/07/45/222260745.db2.gz	YGBIBLSQFAZCRL-BMRADRMJSA-N	-1	3	374.485	1.915	50	10		FDCAHM
COc1ccc(N2CCN(Cn3[n-]c(=O)c4ccccc4c3=O)CC2)cc1	ZINC000012420893	518612134	/nfs/dbraw/zinc/61/21/34/518612134.db2.gz	ARDFRUXITHNTKT-UHFFFAOYSA-N	-1	3	366.421	1.890	50	10		FDCAHM
O=C([O-])[C@@H]1[NH2+][C@H](c2ccccc2[O-])[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	ZINC000226881625	537568889	/nfs/dbraw/zinc/56/88/89/537568889.db2.gz	NRVUKFSIEGMACV-KLHDSHLOSA-N	-1	3	370.336	1.435	50	10		FDCAHM
CN1CCN(c2ccc([N-]S(=O)(=O)c3cccc4nonc43)cc2)CC1	ZINC000004297048	518293395	/nfs/dbraw/zinc/29/33/95/518293395.db2.gz	GMHXFRWTHBKUTI-UHFFFAOYSA-N	-1	3	373.438	1.775	50	10		FDCAHM
O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=CNCCN1CCCCC1	ZINC000020267389	527048588	/nfs/dbraw/zinc/04/85/88/527048588.db2.gz	JYCSPTUHQKISAZ-FOWTUZBSSA-N	-1	3	374.416	1.364	50	10		FDCAHM
CN(C)CCNC=C1C(=O)[N-]C(=O)N(c2cccc3ccccc32)C1=O	ZINC000100257119	570550607	/nfs/dbraw/zinc/55/06/07/570550607.db2.gz	AQHOKDSRXVQAGP-NTCAYCPXSA-N	-1	3	352.394	1.458	50	10		FDCAHM
CC(=O)[C@@H]1Cc2c([O-])c3c(c(O)c2[C@H](O)C1)C(=O)c1ncc(C)cc1C3=O	ZINC000000721538	219317199	/nfs/dbraw/zinc/31/71/99/219317199.db2.gz	GZHKMLLICGLVCE-BXKDBHETSA-N	-1	3	367.357	1.761	50	10		FDCAHM
COc1ccc2ccc([O-])c(CN3CCN(S(C)(=O)=O)CC3)c2c1	ZINC000024528800	518997331	/nfs/dbraw/zinc/99/73/31/518997331.db2.gz	IAFHJJOGKJLLBU-UHFFFAOYSA-N	-1	3	350.440	1.631	50	10		FDCAHM
O=C([O-])[C@@H]1[NH2+][C@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12	ZINC000245327241	571197124	/nfs/dbraw/zinc/19/71/24/571197124.db2.gz	NRVUKFSIEGMACV-ZJIFWQFVSA-N	-1	3	370.336	1.435	50	10		FDCAHM
CCCCCCN1C(=O)[N-]C(=O)C(=CNCCN2CCCCC2)C1=O	ZINC000100793448	525216424	/nfs/dbraw/zinc/21/64/24/525216424.db2.gz	VAEUSZSNRUXSTP-CCEZHUSRSA-N	-1	3	350.463	1.605	50	10		FDCAHM