smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1c(Cl)cc(Br)cc1/C=N/c1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000003206080 194238891 /nfs/dbraw/zinc/23/88/91/194238891.db2.gz AMAUSVFLDGBMDQ-YSURURNPSA-N 0 1 462.130 7.020 40 30 JKEBMN Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2ccccc2I)cc1 ZINC000004552018 194391862 /nfs/dbraw/zinc/39/18/62/194391862.db2.gz RDPFALIJGAULIS-HYARGMPZSA-N 0 1 476.339 5.151 40 30 JKEBMN C(=NN=c1[nH]c2ccccc2s1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000012653208 195077040 /nfs/dbraw/zinc/07/70/40/195077040.db2.gz QGBPGRRSBLYQAI-RDRPBHBLSA-N 0 1 465.578 6.900 40 30 JKEBMN C(=[NH+][N-]c1nc2ccccc2s1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000012653208 195077043 /nfs/dbraw/zinc/07/70/43/195077043.db2.gz QGBPGRRSBLYQAI-RDRPBHBLSA-N 0 1 465.578 6.900 40 30 JKEBMN COc1cc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000020932652 195251701 /nfs/dbraw/zinc/25/17/01/195251701.db2.gz VBMYZEXOOWBHPO-AFUMVMLFSA-N 0 1 495.402 5.840 40 30 JKEBMN O=C(/C=C/c1ccco1)Oc1ccc(/C=N/c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000057527883 195350390 /nfs/dbraw/zinc/35/03/90/195350390.db2.gz BFNMWIZBIBNGNK-PCAYKUBCSA-N 0 1 491.591 5.971 40 30 JKEBMN CCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000059102798 195387554 /nfs/dbraw/zinc/38/75/54/195387554.db2.gz FZGWFCRQMILUTK-HHHXNRCGSA-N 0 1 477.645 7.194 40 30 JKEBMN CCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(O)cc1 ZINC000059102849 195387727 /nfs/dbraw/zinc/38/77/27/195387727.db2.gz DFSAHJZJBYESJB-HHHXNRCGSA-N 0 1 493.644 6.900 40 30 JKEBMN C=CCc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1C#N ZINC000059136339 195391612 /nfs/dbraw/zinc/39/16/12/195391612.db2.gz COVMCQVZTZKSQP-PXLXIMEGSA-N 0 1 497.551 5.676 40 30 JKEBMN C=CCc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(OCC)c1OCC ZINC000059136401 195391715 /nfs/dbraw/zinc/39/17/15/195391715.db2.gz HBIJHGBFEYKCQS-GHRIWEEISA-N 0 1 454.523 5.023 40 30 JKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccccc1Br ZINC000059194486 195394201 /nfs/dbraw/zinc/39/42/01/195394201.db2.gz GVSJTKQDDYZLRR-ZMOGYAJESA-N 0 1 482.359 5.733 40 30 JKEBMN O=C(Oc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1)c1ccc(Br)cc1 ZINC000059194490 195394301 /nfs/dbraw/zinc/39/43/01/195394301.db2.gz ZGCTUGWGAVEAOS-YDZHTSKRSA-N 0 1 452.333 5.724 40 30 JKEBMN O=C(Oc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1)c1ccc(Br)cc1 ZINC000059194490 195394302 /nfs/dbraw/zinc/39/43/02/195394302.db2.gz ZGCTUGWGAVEAOS-YDZHTSKRSA-N 0 1 452.333 5.724 40 30 JKEBMN O=C(Nc1c(Cl)cccc1Cl)C(=NNc1ccc2ncsc2c1)C(=O)c1ccccc1 ZINC000102937145 130419550 /nfs/dbraw/zinc/41/95/50/130419550.db2.gz NSCYUXHFAMBNAS-VFCFBJKWSA-N 0 1 469.353 5.893 40 30 JKEBMN CC(C)(C)c1cc(/C=N\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000016323003 518989932 /nfs/dbraw/zinc/98/99/32/518989932.db2.gz PKJACNDEBGTAPJ-SNCSUOKWSA-N 0 1 483.700 6.728 40 30 JKEBMN C=CCOc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000033615054 519012657 /nfs/dbraw/zinc/01/26/57/519012657.db2.gz WVVZHKBVANUJLX-XNTDXEJSSA-N 0 1 477.767 5.339 40 30 JKEBMN CCCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000020595563 520391646 /nfs/dbraw/zinc/39/16/46/520391646.db2.gz YFKWZCDYQWKXDF-WNMDNWPKSA-N 0 1 459.571 5.640 40 30 JKEBMN CCOC(=O)C(C#N)=NNc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1Cl ZINC000016682063 520399256 /nfs/dbraw/zinc/39/92/56/520399256.db2.gz OJCXCVBKKBNJMG-QQXSKIMKSA-N 0 1 474.131 5.407 40 30 JKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)c1O ZINC000016610626 520787429 /nfs/dbraw/zinc/78/74/29/520787429.db2.gz SBYMDMJEDONQOI-WJGWSCHNSA-N 0 1 459.502 6.771 40 30 JKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)c1O ZINC000016688205 520788295 /nfs/dbraw/zinc/78/82/95/520788295.db2.gz BMKMBWIHNNUENG-VULFUBBASA-N 0 1 475.457 5.457 40 30 JKEBMN CCC[C@@H]1[C@@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)C[C@]1(O)C#Cc1ccccc1 ZINC000009354122 520901599 /nfs/dbraw/zinc/90/15/99/520901599.db2.gz BKJQDSATKUPWJM-GOGZTAQTSA-N 0 1 455.598 5.679 40 30 JKEBMN CCC[C@H]1[C@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)C[C@]1(O)C#Cc1ccccc1 ZINC000009354120 521261114 /nfs/dbraw/zinc/26/11/14/521261114.db2.gz BKJQDSATKUPWJM-GCXHJFECSA-N 0 1 455.598 5.679 40 30 JKEBMN COc1cc(C=Nc2nnc[nH]2)cc(Br)c1OCc1c(Cl)cccc1Cl ZINC000016195416 522002708 /nfs/dbraw/zinc/00/27/08/522002708.db2.gz GCUVUDHVFMKZKO-QPSGOUHRSA-N 0 1 456.127 5.212 40 30 JKEBMN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2ccccc2)cc1 ZINC000009264259 523679595 /nfs/dbraw/zinc/67/95/95/523679595.db2.gz QOJRDPWSGANIPM-SMSORMJASA-N 0 1 490.559 6.503 40 30 JKEBMN Oc1c(Cl)cc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000016384582 526325191 /nfs/dbraw/zinc/32/51/91/526325191.db2.gz AYGNNRFAZPQTLD-YSURURNPSA-N 0 1 463.681 5.414 40 30 JKEBMN Oc1c(I)cc(Cl)cc1/C=N/c1ccc(-c2nc3ccccc3o2)cc1 ZINC000003059686 526331268 /nfs/dbraw/zinc/33/12/68/526331268.db2.gz WBTXTVSKAAGPAH-FOKLQQMPSA-N 0 1 474.685 6.209 40 30 JKEBMN O=C(Oc1ccc2ccccc2c1C=NNc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000021487064 526444814 /nfs/dbraw/zinc/44/48/14/526444814.db2.gz CGIHJUFKQUDKFM-CVKSISIWSA-N 0 1 468.494 6.023 40 30 JKEBMN N#Cc1c2c(sc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-])C[N@H+](Cc1ccccc1)CC2 ZINC000004150750 526517135 /nfs/dbraw/zinc/51/71/35/526517135.db2.gz WLXKBZKVJMXPLB-OPEKNORGSA-N 0 1 497.374 5.305 40 30 JKEBMN N#Cc1c2c(sc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-])C[N@@H+](Cc1ccccc1)CC2 ZINC000004150750 526517143 /nfs/dbraw/zinc/51/71/43/526517143.db2.gz WLXKBZKVJMXPLB-OPEKNORGSA-N 0 1 497.374 5.305 40 30 JKEBMN Clc1cccc(-c2ccc(C=NN=c3nc(Nc4ccccc4)[nH]c(N4CCCCC4)n3)o2)c1 ZINC000033395934 526970805 /nfs/dbraw/zinc/97/08/05/526970805.db2.gz JEGVBPQWTYJFEH-PKAZHMFMSA-N 0 1 473.968 5.965 40 30 JKEBMN COc1ccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])cc(OC)c4O)ccc3o2)cc1Br ZINC000013475893 555402782 /nfs/dbraw/zinc/40/27/82/555402782.db2.gz NRTTYRPXNGRJRH-BHGWPJFGSA-N 0 1 498.289 5.639 40 30 JKEBMN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc(-c4ccccc4Cl)n[nH]3)sc2C1 ZINC000019928154 555543241 /nfs/dbraw/zinc/54/32/41/555543241.db2.gz VQIOAODPRQSRNG-CYBMUJFWSA-N 0 1 486.066 5.940 40 30 JKEBMN CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Br)cc(Cl)c4O)cc3)nc2c1 ZINC000022741253 555949332 /nfs/dbraw/zinc/94/93/32/555949332.db2.gz VUZGJPSSSKNHBQ-ZKJHFGPLSA-N 0 1 483.793 7.880 40 30 JKEBMN CCc1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000015920263 556067299 /nfs/dbraw/zinc/06/72/99/556067299.db2.gz HWKQYZLDQPUMCD-DEOSSOPVSA-N 0 1 477.582 5.149 40 30 JKEBMN CCc1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000015920264 556067314 /nfs/dbraw/zinc/06/73/14/556067314.db2.gz HWKQYZLDQPUMCD-XMMPIXPASA-N 0 1 477.582 5.149 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4cccc(OC)c4)[C@H]3c3cccs3)c2c1 ZINC000015920311 556067793 /nfs/dbraw/zinc/06/77/93/556067793.db2.gz SEJPAJIAUBFHGQ-XMMPIXPASA-N 0 1 488.565 5.068 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccn3)c2c1 ZINC000015920449 556068716 /nfs/dbraw/zinc/06/87/16/556068716.db2.gz IHGSFKXNCMAQRS-DEOSSOPVSA-N 0 1 487.943 5.046 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccc(F)cc4)[C@H]3c3cccs3)c2c1 ZINC000015920442 556068861 /nfs/dbraw/zinc/06/88/61/556068861.db2.gz SDPYQSHRDQXRFY-HSZRJFAPSA-N 0 1 476.529 5.198 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccs3)c2c1 ZINC000015920441 556068893 /nfs/dbraw/zinc/06/88/93/556068893.db2.gz SDPYQSHRDQXRFY-QHCPKHFHSA-N 0 1 476.529 5.198 40 30 JKEBMN Oc1c(Br)cc(Br)cc1C=NNc1cc(C(F)(F)F)ccc1Cl ZINC000012570290 556073135 /nfs/dbraw/zinc/07/31/35/556073135.db2.gz FLASUHQVXNFUJE-AERZKKPOSA-N 0 1 472.486 6.035 40 30 JKEBMN O=S(=O)(N=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccccc1)c1ccc(Cl)cc1 ZINC000026787053 556263793 /nfs/dbraw/zinc/26/37/93/556263793.db2.gz VTKMVXIMDONYBZ-UHFFFAOYSA-N 0 1 455.750 5.600 40 30 JKEBMN Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000017877303 556269444 /nfs/dbraw/zinc/26/94/44/556269444.db2.gz LYXWWVMGVFTFRM-JXDROGBKSA-N 0 1 460.515 5.068 40 30 JKEBMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000027061675 556273258 /nfs/dbraw/zinc/27/32/58/556273258.db2.gz TYVIDFLHLGAGLP-OAQYLSRUSA-N 0 1 485.945 5.210 40 30 JKEBMN C/C(=N\c1ccc(S(=O)(=O)c2ccc(/N=C(\C)N3CCCCC3)cc2)cc1)N1CCCCC1 ZINC000017968348 556273631 /nfs/dbraw/zinc/27/36/31/556273631.db2.gz LFCXHSXPKZYWBT-GPAWKIAZSA-N 0 1 466.651 5.591 40 30 JKEBMN C/C1=C\[C@@H](C)CC[C@H]2O[C@@H](C3C4=C[C@@](O)(OC4=C(C)C(=O)C3=O)[C@@H](C)C[C@H](C)C1)[C@H](C)[C@@H](O)[C@H]2C ZINC000028536590 556335275 /nfs/dbraw/zinc/33/52/75/556335275.db2.gz HKLDUJXJTQJSEJ-OLXNOMCWSA-N 0 1 486.649 5.130 40 30 in-vitro JKEBMN Cc1cc(/N=C/c2cc(Cl)cc(Br)c2O)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114447 556421118 /nfs/dbraw/zinc/42/11/18/556421118.db2.gz PZPYURQZBRKSDX-RPPGKUMJSA-N 0 1 483.749 6.866 40 30 JKEBMN Cc1ccc(C(=NC(=Cc2ccccc2)S(=O)(=O)c2ccccc2)NC(=N)c2ccccc2)cc1 ZINC000057291944 569595786 /nfs/dbraw/zinc/59/57/86/569595786.db2.gz DLCUVVIJBNXJFJ-SZXQPVLSSA-N 0 1 479.605 5.620 40 30 JKEBMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000059109544 569602405 /nfs/dbraw/zinc/60/24/05/569602405.db2.gz CUWPIFQRBOJKPL-DEDYPNTBSA-N 0 1 476.602 5.541 40 30 JKEBMN Fc1ccccc1COc1ccc(Br)cc1C=NNc1nc2ccccc2s1 ZINC000059418087 569602929 /nfs/dbraw/zinc/60/29/29/569602929.db2.gz LQWZPPVYVQLAPU-WYMPLXKRSA-N 0 1 456.340 6.223 40 30 JKEBMN CCOC(=O)c1ccc(-c2ccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCCC4)n3)o2)cc1 ZINC000059418361 569603308 /nfs/dbraw/zinc/60/33/08/569603308.db2.gz GJPXGIUJHPUCLG-MTDXEUNCSA-N 0 1 497.559 5.098 40 30 JKEBMN COc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1OCc1ccc(Cl)cc1Cl ZINC000059462527 569604303 /nfs/dbraw/zinc/60/43/03/569604303.db2.gz CIFUAPKILUSATJ-BRJLIKDPSA-N 0 1 458.370 6.637 40 30 JKEBMN COc1ccc(CCN2C(=O)C(=O)C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(C)cc2)cc1OC ZINC000035147212 569675911 /nfs/dbraw/zinc/67/59/11/569675911.db2.gz IQPHZAJKWAEXTD-YFQVFYAGSA-N 0 1 483.564 5.233 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)C=Cc4ccccc4)[C@H]3c3ccc(F)cc3)c2c1 ZINC000035164073 569676405 /nfs/dbraw/zinc/67/64/05/569676405.db2.gz PMNVDPFJAXSWJW-LQCSZWMHSA-N 0 1 496.538 5.536 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccc(C)cc4)[C@H]3c3ccccc3OC)c2c1 ZINC000035164973 569676834 /nfs/dbraw/zinc/67/68/34/569676834.db2.gz SBDZAEDQTKXMEI-HHHXNRCGSA-N 0 1 496.563 5.315 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccs3)c2c1 ZINC000035165215 569676881 /nfs/dbraw/zinc/67/68/81/569676881.db2.gz SRNIUXXTAORRHB-QHCPKHFHSA-N 0 1 492.984 5.712 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(F)c3)c2c1 ZINC000035165122 569676941 /nfs/dbraw/zinc/67/69/41/569676941.db2.gz VLKMXAOFJRNBLV-VWLOTQADSA-N 0 1 488.490 5.276 40 30 JKEBMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccc(OC)cc34)[C@H]2c2ccc(C)cc2)cc1 ZINC000035165288 569676961 /nfs/dbraw/zinc/67/69/61/569676961.db2.gz YTTWEQQPFKEFKB-MHZLTWQESA-N 0 1 496.563 5.315 40 30 JKEBMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccc(OC)cc34)[C@H]2c2ccccc2)cc1 ZINC000035165283 569676976 /nfs/dbraw/zinc/67/69/76/569676976.db2.gz VHIPXYMYYHJENG-SANMLTNESA-N 0 1 482.536 5.006 40 30 JKEBMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000078547309 569706209 /nfs/dbraw/zinc/70/62/09/569706209.db2.gz CPZWJXWCHMUYME-JOCHJYFZSA-N 0 1 457.954 5.132 40 30 JKEBMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000085409644 569710355 /nfs/dbraw/zinc/71/03/55/569710355.db2.gz TUDGYUMPFXSVDO-XMMPIXPASA-N 0 1 451.563 5.212 40 30 JKEBMN O=C(CSc1nc2ccc(N=Cc3cc(Cl)cc(Cl)c3O)cc2s1)c1ccc(F)cc1 ZINC000100457537 569761507 /nfs/dbraw/zinc/76/15/07/569761507.db2.gz MSGAUVSSXJJQBZ-NSKAYECMSA-N 0 1 491.396 7.173 40 30 JKEBMN O=C(Nc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1)c1cccc(Cl)c1 ZINC000100457266 569761522 /nfs/dbraw/zinc/76/15/22/569761522.db2.gz QVPFRARKRNVXTC-BHGWPJFGSA-N 0 1 464.146 6.464 40 30 JKEBMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000100556914 569764476 /nfs/dbraw/zinc/76/44/76/569764476.db2.gz FUEPIRKBOKHUFN-VHAJSEAWSA-N 0 1 460.515 5.068 40 30 JKEBMN COc1cc(Br)cc(/C=N/c2ccc(O)c(-c3nc4ccccc4s3)c2)c1O ZINC000100927290 569776164 /nfs/dbraw/zinc/77/61/64/569776164.db2.gz RXOKBEYCNVUYEI-FOKLQQMPSA-N 0 1 455.333 5.896 40 30 JKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N\c2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)c1O ZINC000100953477 569777733 /nfs/dbraw/zinc/77/77/33/569777733.db2.gz SBYMDMJEDONQOI-YKVGDQEKSA-N 0 1 459.502 6.771 40 30 JKEBMN CCOc1ccc(N=C2SC(CC(=O)c3ccc(F)cc3)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000101025188 569779790 /nfs/dbraw/zinc/77/97/90/569779790.db2.gz KDLRKDPRHRKRSE-RZTAHULUSA-N 0 1 492.572 6.032 40 30 JKEBMN Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCc2ccccc2C1 ZINC000101604829 569801683 /nfs/dbraw/zinc/80/16/83/569801683.db2.gz ZPHAICVFCDDZKO-XKJRVUDJSA-N 0 1 465.302 7.031 40 30 JKEBMN CC=Cc1cc(C=NN=c2[nH]c3ccccc3s2)cc(OC)c1OCCOc1ccc(C)cc1 ZINC000041074063 569834924 /nfs/dbraw/zinc/83/49/24/569834924.db2.gz ZMKCNLGZGVEPKT-WYKGZTCSSA-N 0 1 473.598 6.550 40 30 JKEBMN C/C=C/c1cc(C=[NH+][N-]c2nc3ccccc3s2)cc(OC)c1OCCOc1ccc(C)cc1 ZINC000041074063 569834925 /nfs/dbraw/zinc/83/49/25/569834925.db2.gz ZMKCNLGZGVEPKT-WYKGZTCSSA-N 0 1 473.598 6.550 40 30 JKEBMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(C=NN=c2[nH]c3ccccc3s2)c1 ZINC000041074067 569834992 /nfs/dbraw/zinc/83/49/92/569834992.db2.gz IQJHQYFUVKACKK-BRJLIKDPSA-N 0 1 458.421 6.462 40 30 JKEBMN Brc1ccc(N=NC(N=Nc2ccccc2)c2ccc(C=NNc3ccccc3)cc2)cc1 ZINC000104079481 569840437 /nfs/dbraw/zinc/84/04/37/569840437.db2.gz AUADFXAHIJUUST-ZWEZHRGVSA-N 0 1 497.400 7.453 40 30 JKEBMN Brc1ccc(N=NC(N=Nc2ccccc2)c2ccc(C=NNc3ccccc3)cc2)cc1 ZINC000104079478 569840461 /nfs/dbraw/zinc/84/04/61/569840461.db2.gz AUADFXAHIJUUST-OTBIZUPHSA-N 0 1 497.400 7.453 40 30 JKEBMN Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)c2c(c1)C(C(F)(F)F)(C(F)(F)F)OC(C)(C)N2 ZINC000104230021 569843590 /nfs/dbraw/zinc/84/35/90/569843590.db2.gz HQBAGNRRRIAUKO-UHFFFAOYSA-N 0 1 479.261 5.805 40 30 JKEBMN CCCCCCCCCCCCOC(=O)/C(=C/C=C/N(CC)CC)S(=O)(=O)c1ccccc1 ZINC000118808370 569862839 /nfs/dbraw/zinc/86/28/39/569862839.db2.gz QYOVKBLQFHTMEW-ULFXKZDISA-N 0 1 477.711 6.664 40 30 JKEBMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000170414983 569872737 /nfs/dbraw/zinc/87/27/37/569872737.db2.gz YIXJOUBPCVWLJP-DEOSSOPVSA-N 0 1 465.590 5.386 40 30 JKEBMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000170414982 569872771 /nfs/dbraw/zinc/87/27/71/569872771.db2.gz YIXJOUBPCVWLJP-XMMPIXPASA-N 0 1 465.590 5.386 40 30 JKEBMN C=CCOc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 ZINC000408604732 569970495 /nfs/dbraw/zinc/97/04/95/569970495.db2.gz HYZIZMTWLOFPFP-UHFFFAOYSA-N 0 1 470.978 5.575 40 30 JKEBMN C=CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000408612263 569973062 /nfs/dbraw/zinc/97/30/62/569973062.db2.gz USFUMNNZRCSFBI-UHFFFAOYSA-N 0 1 456.951 5.266 40 30 JKEBMN C=CCOc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 ZINC000408617233 569976086 /nfs/dbraw/zinc/97/60/86/569976086.db2.gz FLMVFPTYYFPVNA-UHFFFAOYSA-N 0 1 456.951 5.266 40 30 JKEBMN CCn1c2ccccc2nc1N=NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000408692471 570015507 /nfs/dbraw/zinc/01/55/07/570015507.db2.gz NDNGNTVYKWBYNL-MZJWZYIUSA-N 0 1 469.372 6.397 40 30 JKEBMN CC(C)OCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000408702525 570022498 /nfs/dbraw/zinc/02/24/98/570022498.db2.gz HKZGHEKLJCGBFY-FQEVSTJZSA-N 0 1 492.797 5.496 40 30 JKEBMN CC(C)OCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1 ZINC000408702701 570022809 /nfs/dbraw/zinc/02/28/09/570022809.db2.gz PBJGBEQYZKJZMP-FQEVSTJZSA-N 0 1 492.797 5.496 40 30 JKEBMN CC(C)OCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000408702980 570022991 /nfs/dbraw/zinc/02/29/91/570022991.db2.gz YANAIHNGSHPZRZ-HSZRJFAPSA-N 0 1 455.982 5.857 40 30 JKEBMN COc1cc(C=NN=c2[nH]c3ccccc3[nH]2)cc(Br)c1OCc1ccccc1Cl ZINC000408723500 570027526 /nfs/dbraw/zinc/02/75/26/570027526.db2.gz WNJLFXGJWDHYNE-BRJLIKDPSA-N 0 1 485.769 6.012 40 30 JKEBMN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)cc(Cl)c3O)S2)cc1 ZINC000408740473 570031931 /nfs/dbraw/zinc/03/19/31/570031931.db2.gz GFYIARWLVSKTGO-OVCLIPMQSA-N 0 1 453.745 5.098 40 30 JKEBMN O=C1NC(=Nc2cccc(Br)c2)S/C1=C/c1cc(Br)cc(Cl)c1O ZINC000408741220 570032202 /nfs/dbraw/zinc/03/22/02/570032202.db2.gz KRUQPDFJUKQQMN-WLRTZDKTSA-N 0 1 488.588 5.462 40 30 JKEBMN Cc1ccc(N2C(=O)C(=CNc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)NC2=S)cc1 ZINC000408759747 570036551 /nfs/dbraw/zinc/03/65/51/570036551.db2.gz KTYSDJBMLUOWCM-NQMOZFCVSA-N 0 1 471.626 5.229 40 30 JKEBMN O=C(NCc1ccccc1)c1c2c(sc1/N=C\c1ccc(/N=N/c3ccccc3)cc1O)CCCC2 ZINC000408780637 570041546 /nfs/dbraw/zinc/04/15/46/570041546.db2.gz GUWFMUAXBULFHS-PAVGLDCCSA-N 0 1 494.620 7.429 40 30 JKEBMN O=C(NCc1ccccc1)c1c(/N=C\c2cc(Cl)cc(Cl)c2O)sc2c1CCCC2 ZINC000408790614 570043810 /nfs/dbraw/zinc/04/38/10/570043810.db2.gz SWUBHKLSOUAOCH-WKIKZPBSSA-N 0 1 459.398 6.320 40 30 JKEBMN CCOC(=O)c1c(Cl)c(C=[NH+][N-]c2ccc([N+](=O)[O-])cc2)oc1Nc1ccc(Cl)cc1 ZINC000408813163 570049637 /nfs/dbraw/zinc/04/96/37/570049637.db2.gz PSGOYBOTFHHCPL-KSEXSDGBSA-N 0 1 463.277 5.861 40 30 JKEBMN O=C(Nc1ccccc1)c1c(/N=C\c2cc(Br)cc(Cl)c2O)sc2c1CCCC2 ZINC000408845452 570054492 /nfs/dbraw/zinc/05/44/92/570054492.db2.gz GXSPGHWFWFPQEN-ROTLSHHCSA-N 0 1 489.822 6.751 40 30 JKEBMN C=CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1CC=C ZINC000408850650 570055356 /nfs/dbraw/zinc/05/53/56/570055356.db2.gz QHNSOSKVGQVTCJ-DTQAZKPQSA-N 0 1 473.381 5.118 40 30 JKEBMN COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc([N+](=O)[O-])c1O ZINC000408878492 570062101 /nfs/dbraw/zinc/06/21/01/570062101.db2.gz BKBSZNJBIYWEBG-DTTZAJKUSA-N 0 1 467.547 5.492 40 30 JKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(I)c1 ZINC000408912692 570073661 /nfs/dbraw/zinc/07/36/61/570073661.db2.gz ROUCOKKDTNKMKA-MTJSOVHGSA-N 0 1 460.275 5.053 40 30 JKEBMN COc1ccc(Cl)cc1/N=C/c1cc(Br)cc(I)c1O ZINC000409103995 570129504 /nfs/dbraw/zinc/12/95/04/570129504.db2.gz XXYQKYVHRYZOJE-CNHKJKLMSA-N 0 1 466.500 5.172 40 30 JKEBMN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(O)c(Br)c3)cc1)N2 ZINC000408943318 570083076 /nfs/dbraw/zinc/08/30/76/570083076.db2.gz RQMJNHLGUARUSD-TULYJACKSA-N 0 1 459.387 7.040 40 30 JKEBMN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(O)c(Br)c3)cc1)N2 ZINC000408943319 570083086 /nfs/dbraw/zinc/08/30/86/570083086.db2.gz RQMJNHLGUARUSD-VRBUYGJOSA-N 0 1 459.387 7.040 40 30 JKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCC(=O)Nc1ccccc1OC ZINC000409008751 570098746 /nfs/dbraw/zinc/09/87/46/570098746.db2.gz FDSPWVURTIHGRB-YSMPRRRNSA-N 0 1 476.558 5.167 40 30 JKEBMN CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccccc1OC ZINC000409008751 570098747 /nfs/dbraw/zinc/09/87/47/570098747.db2.gz FDSPWVURTIHGRB-YSMPRRRNSA-N 0 1 476.558 5.167 40 30 JKEBMN CC[C@H](C)c1ccc2oc(-c3ccc(N=Cc4cc(Cl)cc(Br)c4O)cc3)nc2c1 ZINC000254441721 570105771 /nfs/dbraw/zinc/10/57/71/570105771.db2.gz AWXCUMAFADKZCQ-AWEZNQCLSA-N 0 1 483.793 7.880 40 30 JKEBMN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O ZINC000409032979 570106006 /nfs/dbraw/zinc/10/60/06/570106006.db2.gz KLYFUJUSTJTWGE-UHFFFAOYSA-N 0 1 482.577 5.405 40 30 JKEBMN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(OC)c(O)c([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O ZINC000409035438 570106498 /nfs/dbraw/zinc/10/64/98/570106498.db2.gz SSFZLYXMPNCQAC-UHFFFAOYSA-N 0 1 468.550 5.015 40 30 JKEBMN CCOc1cc(C2C3=C(CCCC3=O)N(Cc3ccccc3)C3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O ZINC000409039590 570107241 /nfs/dbraw/zinc/10/72/41/570107241.db2.gz HCNOVQDTTDZXLX-UHFFFAOYSA-N 0 1 488.540 5.313 40 30 JKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(OCc3ccc(I)cc3)cc2)nc1 ZINC000409063528 570115470 /nfs/dbraw/zinc/11/54/70/570115470.db2.gz BVDCBQZRPRXDQU-KBKYJPHKSA-N 0 1 497.258 5.730 40 30 JKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000409064170 570115649 /nfs/dbraw/zinc/11/56/49/570115649.db2.gz CEJYNZVXWACZBH-HIWRWHBISA-N 0 1 499.920 7.331 40 30 JKEBMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409064021 570115672 /nfs/dbraw/zinc/11/56/72/570115672.db2.gz BBUIWFYSXCWTFB-AUEPDCJTSA-N 0 1 457.886 6.926 40 30 JKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)nc1 ZINC000409067765 570117198 /nfs/dbraw/zinc/11/71/98/570117198.db2.gz RCGKELMBPFROQO-KBKYJPHKSA-N 0 1 450.258 5.888 40 30 JKEBMN FC(F)(F)c1ccc(N=NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)nc1 ZINC000409068833 570117438 /nfs/dbraw/zinc/11/74/38/570117438.db2.gz IZNXXQURLIQQEI-HIUVJMHLSA-N 0 1 474.697 7.086 40 30 JKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccccc1Cl ZINC000409071378 570118359 /nfs/dbraw/zinc/11/83/59/570118359.db2.gz QYLLNANKBHXXAV-VPUKRXIYSA-N 0 1 484.305 6.831 40 30 JKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409073938 570119358 /nfs/dbraw/zinc/11/93/58/570119358.db2.gz OGGJSNRCMVSBFS-KKMKTNMSSA-N 0 1 460.412 5.432 40 30 JKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(Br)cc1OCc1ccccc1 ZINC000409074261 570119424 /nfs/dbraw/zinc/11/94/24/570119424.db2.gz POMYLJSOTIDWJO-KVSWJAHQSA-N 0 1 494.311 6.287 40 30 JKEBMN CCOC(=O)COc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC ZINC000409094178 570126016 /nfs/dbraw/zinc/12/60/16/570126016.db2.gz CRKBCDUZWLLDNL-KIBLKLHPSA-N 0 1 489.834 5.054 40 30 JKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1cccc(C)c1 ZINC000409095316 570126385 /nfs/dbraw/zinc/12/63/85/570126385.db2.gz ATWACDJGAOBMHQ-XKJRVUDJSA-N 0 1 463.887 6.486 40 30 JKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409096240 570126631 /nfs/dbraw/zinc/12/66/31/570126631.db2.gz CXFPKYYDNFYAQT-IPBVOBEMSA-N 0 1 478.858 5.226 40 30 JKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(Br)cc1OCc1cccc(F)c1 ZINC000409096116 570126692 /nfs/dbraw/zinc/12/66/92/570126692.db2.gz JNKCHIPTRAQSJG-ORBVJSQLSA-N 0 1 498.274 6.036 40 30 JKEBMN O=[N+]([O-])c1ccc(COc2ccc(C=NNc3ccc(C(F)(F)F)cn3)cc2Br)cc1 ZINC000409096622 570126805 /nfs/dbraw/zinc/12/68/05/570126805.db2.gz KRTLUPNCQKQJBB-NSKAYECMSA-N 0 1 495.255 5.796 40 30 JKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409098469 570127497 /nfs/dbraw/zinc/12/74/97/570127497.db2.gz LTPPYLIRQNQVHT-XKJRVUDJSA-N 0 1 463.887 6.486 40 30 JKEBMN O=[N+]([O-])c1ccc(COc2c(Cl)cc(CN=Nc3ccc(C(F)(F)F)cn3)cc2Cl)cc1 ZINC000409098279 570127544 /nfs/dbraw/zinc/12/75/44/570127544.db2.gz PGAIIZONGRTFOT-OXUBWTJQSA-N 0 1 485.249 6.340 40 30 JKEBMN Fc1ccccc1COc1c(Cl)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000409099300 570127905 /nfs/dbraw/zinc/12/79/05/570127905.db2.gz KYNNDDZJBITIBL-HIUVJMHLSA-N 0 1 458.242 6.571 40 30 JKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409100797 570128424 /nfs/dbraw/zinc/12/84/24/570128424.db2.gz VEPSIKPOBWQUJR-ORBVJSQLSA-N 0 1 453.823 5.927 40 30 JKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(Br)cc1OCc1ccc(C)cc1 ZINC000409103750 570129388 /nfs/dbraw/zinc/12/93/88/570129388.db2.gz FMPLEFGAYMBZEL-IPBVOBEMSA-N 0 1 494.311 6.205 40 30 JKEBMN CC[C@@H](C)c1ccc(/N=C/c2cc(Br)cc(I)c2O)cc1 ZINC000409104871 570129788 /nfs/dbraw/zinc/12/97/88/570129788.db2.gz KLOUCRBEQHDSBC-JZOCJUILSA-N 0 1 458.137 6.023 40 30 JKEBMN N#Cc1ccccc1COc1ccc(Br)cc1C=NNc1ccc(C(F)(F)F)cn1 ZINC000409105727 570130013 /nfs/dbraw/zinc/13/00/13/570130013.db2.gz KEZMFJNTIVQZTJ-IPBVOBEMSA-N 0 1 475.268 5.760 40 30 JKEBMN Oc1c(I)cc(Br)cc1/C=N\c1ccccc1Br ZINC000409107207 570130680 /nfs/dbraw/zinc/13/06/80/570130680.db2.gz QBCTWSCDROBEJM-IDUWFGFVSA-N 0 1 480.925 5.272 40 30 JKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccc2ccccc2c1 ZINC000409108855 570131218 /nfs/dbraw/zinc/13/12/18/570131218.db2.gz WOYLBWNCMNSPAG-IURWMYGYSA-N 0 1 485.893 6.941 40 30 JKEBMN Oc1c(I)cc(Br)cc1/C=N/c1ccc(Nc2ccccc2)cc1 ZINC000409108570 570131275 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CCOC(=O)c1c(/N=C\c2cc(Br)cc(Br)c2O)sc2c1CCCC2 ZINC000102658660 130233836 /nfs/dbraw/zinc/23/38/36/130233836.db2.gz DJYVACVVCWVZQO-NKVSQWTQSA-N 0 1 487.213 5.785 40 30 JKEBMN Cc1cc(=O)oc2c1ccc(O)c2C(C)N=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000016266764 518466599 /nfs/dbraw/zinc/46/65/99/518466599.db2.gz ITTGWFYFUABWSH-FDAWAROLSA-N 0 1 462.509 5.767 40 30 JKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1O ZINC000003035840 520788250 /nfs/dbraw/zinc/78/82/50/520788250.db2.gz BTKUCQTUNLZDBU-JFLMPSFJSA-N 0 1 453.454 6.411 40 30 JKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)c1O ZINC000016610620 520788304 /nfs/dbraw/zinc/78/83/04/520788304.db2.gz SBYMDMJEDONQOI-ZXSUQFSISA-N 0 1 459.502 6.771 40 30 JKEBMN CCC[C@H]1[C@@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)C[C@]1(O)C#Cc1ccccc1 ZINC000009354124 521259239 /nfs/dbraw/zinc/25/92/39/521259239.db2.gz BKJQDSATKUPWJM-VZNYXHRGSA-N 0 1 455.598 5.679 40 30 JKEBMN CCOC(=O)c1n[nH]c(N=Cc2cc(Br)cc(Br)c2O)c1-c1ccccc1 ZINC000015135236 521596461 /nfs/dbraw/zinc/59/64/61/521596461.db2.gz STPHZVVYQZCJKI-LSHDLFTRSA-N 0 1 493.155 5.235 40 30 JKEBMN COc1cc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 ZINC000012464225 522011135 /nfs/dbraw/zinc/01/11/35/522011135.db2.gz WUBQVEQMKAFFSK-QRQIAZFYSA-N 0 1 472.614 6.375 40 30 JKEBMN COc1cc(Br)cc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)c(O)c2)c1O ZINC000016194957 522027372 /nfs/dbraw/zinc/02/73/72/522027372.db2.gz JKGSTMOBZPWKEQ-YSURURNPSA-N 0 1 473.710 6.081 40 30 JKEBMN COc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1OCc1ccccc1 ZINC000012466467 523458590 /nfs/dbraw/zinc/45/85/90/523458590.db2.gz HDDNIPBJUTTYMC-NVMPUMLXSA-N 0 1 489.619 5.996 40 30 JKEBMN COc1ccc(Br)c(/C=N/c2ccc(O)c(-c3nc4ccccc4s3)c2)c1O ZINC000003032481 523477789 /nfs/dbraw/zinc/47/77/89/523477789.db2.gz KXIFLOZMLQKSDX-FOKLQQMPSA-N 0 1 455.333 5.896 40 30 JKEBMN CCc1ccc2oc(-c3cc(/N=C\c4cccc(I)c4)ccc3O)nc2c1 ZINC000015134332 524060874 /nfs/dbraw/zinc/06/08/74/524060874.db2.gz JVOYHMGWWCXEBV-CFRMEGHHSA-N 0 1 468.294 6.118 40 30 JKEBMN Cc1ccc2oc(-c3ccc(C)c(/N=C/c4cc(Cl)cc(Br)c4O)c3)nc2c1 ZINC000003034502 524086312 /nfs/dbraw/zinc/08/63/12/524086312.db2.gz RPVNZZUNJTZUEU-OPEKNORGSA-N 0 1 455.739 6.984 40 30 JKEBMN Cc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)c1 ZINC000003337228 524115649 /nfs/dbraw/zinc/11/56/49/524115649.db2.gz LIIBGODHSSVEJU-JVWAILMASA-N 0 1 487.585 6.796 40 30 JKEBMN Cc1c(/N=C/c2c3c(cc(Br)c2O)oc2c3CCCC2)c(=O)n(-c2ccccc2)n1C ZINC000016249078 525522714 /nfs/dbraw/zinc/52/27/14/525522714.db2.gz HOUQDUCQHGPKKR-LGJNPRDNSA-N 0 1 480.362 5.328 40 30 JKEBMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000001414740 526267917 /nfs/dbraw/zinc/26/79/17/526267917.db2.gz PJSBFSQZRGQXFT-XMMPIXPASA-N 0 1 458.464 5.267 40 30 JKEBMN Oc1c(Br)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000016384575 526323595 /nfs/dbraw/zinc/32/35/95/526323595.db2.gz MOXRBAJBGLQNJH-YSURURNPSA-N 0 1 463.681 5.414 40 30 JKEBMN O=C1c2ccccc2S/C1=C/c1cc(Br)cc(I)c1O ZINC000033296104 527136114 /nfs/dbraw/zinc/13/61/14/527136114.db2.gz YKDFDYFYFUHJGJ-AWNIVKPZSA-N 0 1 459.102 5.089 40 30 JKEBMN O=c1oc2ccccc2cc1-c1cccc(/N=C/c2cc(Cl)cc(Br)c2O)c1 ZINC000003211767 527499693 /nfs/dbraw/zinc/49/96/93/527499693.db2.gz AJNXEQAEYICXIL-BRJLIKDPSA-N 0 1 454.707 6.332 40 30 JKEBMN CCCCCCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102722073 534984758 /nfs/dbraw/zinc/98/47/58/534984758.db2.gz RLCGFGLESMXZQU-SSBOKUKZSA-N 0 1 498.623 6.477 40 30 JKEBMN N#CC(C(=O)CCC(=O)[C@H](C#N)c1c(Cl)cccc1Cl)c1c(Cl)cccc1Cl ZINC000001613712 553980519 /nfs/dbraw/zinc/98/05/19/553980519.db2.gz BMHOWYBMWBNCMS-RYUDHWBXSA-N 0 1 454.140 6.133 40 30 JKEBMN N#CC(C(=O)CCC(=O)[C@@H](C#N)c1c(Cl)cccc1Cl)c1c(Cl)cccc1Cl ZINC000001613711 553980536 /nfs/dbraw/zinc/98/05/36/553980536.db2.gz BMHOWYBMWBNCMS-VXGBXAGGSA-N 0 1 454.140 6.133 40 30 JKEBMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000006446422 554540753 /nfs/dbraw/zinc/54/07/53/554540753.db2.gz YVICCNKTZRYYPY-JOCHJYFZSA-N 0 1 462.889 5.069 40 30 JKEBMN COc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3cc(Cl)cc(Cl)c3O)n2)cc1OC ZINC000013305382 555374764 /nfs/dbraw/zinc/37/47/64/555374764.db2.gz ASIPLVZRFUVCKL-CCVNUDIWSA-N 0 1 495.366 6.286 40 30 JKEBMN Cc1ccc(-c2ccc(/C=N\N=C3/NC(=O)C(Cc4cccc(C(F)(F)F)c4)S3)o2)cc1 ZINC000013634324 555543945 /nfs/dbraw/zinc/54/39/45/555543945.db2.gz XDFJIOJMWNITIB-APEOTNBRSA-N 0 1 457.477 5.438 40 30 JKEBMN COc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1OC ZINC000014163720 555717121 /nfs/dbraw/zinc/71/71/21/555717121.db2.gz HNVOVOJWXHDDJT-SXBQZSJRSA-N 0 1 463.965 5.797 40 30 JKEBMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1ccc(I)cc1 ZINC000012559058 556049352 /nfs/dbraw/zinc/04/93/52/556049352.db2.gz WHCLVPWZAUAJFO-WSDLNYQXSA-N 0 1 472.355 5.754 40 30 JKEBMN Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1-c1ccc(I)cc1 ZINC000012559058 556049356 /nfs/dbraw/zinc/04/93/56/556049356.db2.gz WHCLVPWZAUAJFO-WSDLNYQXSA-N 0 1 472.355 5.754 40 30 JKEBMN Cc1cc(CN=Nc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(I)cc1 ZINC000012564766 556061193 /nfs/dbraw/zinc/06/11/93/556061193.db2.gz DPCRJYKTVKEQRB-CIAFOILYSA-N 0 1 460.275 5.053 40 30 JKEBMN CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Br)cc(Br)c2O)c1 ZINC000016637005 556148775 /nfs/dbraw/zinc/14/87/75/556148775.db2.gz IGEHQERYHDYCNX-ZVBGSRNCSA-N 0 1 474.580 6.060 40 30 JKEBMN O=C(Nc1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1)c1ccco1 ZINC000013126019 556341233 /nfs/dbraw/zinc/34/12/33/556341233.db2.gz IFMBFHZZIVZGTG-UFFVCSGVSA-N 0 1 464.113 5.513 40 30 JKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1O ZINC000032114546 556421364 /nfs/dbraw/zinc/42/13/64/556421364.db2.gz SEIQOWQIQPPTSD-VULFUBBASA-N 0 1 459.458 5.757 40 30 JKEBMN COCc1cc(C)nc(NN=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1C#N ZINC000032116863 556425487 /nfs/dbraw/zinc/42/54/87/556425487.db2.gz KRIAJWXJQLZGLD-ROTLSHHCSA-N 0 1 467.938 5.567 40 30 JKEBMN COc1ccc2nc(SCC(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)[nH]c2c1 ZINC000032697298 556471924 /nfs/dbraw/zinc/47/19/24/556471924.db2.gz JJZRYTHXKYWHFS-UHFFFAOYSA-N 0 1 480.549 6.101 40 30 JKEBMN Fc1ccc(COc2ccc(Br)cc2C=NNc2nc3ccccc3s2)cc1 ZINC000059418086 569602943 /nfs/dbraw/zinc/60/29/43/569602943.db2.gz HLLARJQRQMRCIG-WYMPLXKRSA-N 0 1 456.340 6.223 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)C=Cc4ccccc4)[C@H]3c3ccc(C)cc3)c2c1 ZINC000035164034 569676397 /nfs/dbraw/zinc/67/63/97/569676397.db2.gz UWEABTLWEDCDSD-BVEXFFHSSA-N 0 1 492.575 5.706 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)C=Cc4ccccc4)[C@@H]3c3ccc(C)cc3)c2c1 ZINC000035164037 569676407 /nfs/dbraw/zinc/67/64/07/569676407.db2.gz UWEABTLWEDCDSD-MEQIQYKBSA-N 0 1 492.575 5.706 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4cccs4)[C@H]3c3ccc(Cl)cc3)c2c1 ZINC000035164178 569676424 /nfs/dbraw/zinc/67/64/24/569676424.db2.gz LYZIXLDZUXGKGD-HSZRJFAPSA-N 0 1 492.984 5.712 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)Cc4ccccc4)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000035164295 569676538 /nfs/dbraw/zinc/67/65/38/569676538.db2.gz CDKXZBIZIUVKMA-MHZLTWQESA-N 0 1 484.527 5.066 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(F)c3)c2c1 ZINC000035165008 569676925 /nfs/dbraw/zinc/67/69/25/569676925.db2.gz KGEFXKCNTQCUTK-SANMLTNESA-N 0 1 484.527 5.445 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000035165117 569676956 /nfs/dbraw/zinc/67/69/56/569676956.db2.gz HXEPDWMHINKSPA-VWLOTQADSA-N 0 1 488.490 5.276 40 30 JKEBMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccc(OC)cc34)[C@@H]2c2ccc(C)cc2)cc1 ZINC000035165285 569676996 /nfs/dbraw/zinc/67/69/96/569676996.db2.gz YTTWEQQPFKEFKB-HHHXNRCGSA-N 0 1 496.563 5.315 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccs3)c2c1 ZINC000035165213 569676998 /nfs/dbraw/zinc/67/69/98/569676998.db2.gz SRNIUXXTAORRHB-HSZRJFAPSA-N 0 1 492.984 5.712 40 30 JKEBMN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccc2)[nH]n1 ZINC000095671198 569728465 /nfs/dbraw/zinc/72/84/65/569728465.db2.gz VMNRZBDGGQYZPX-UHFFFAOYSA-N 0 1 462.209 6.272 40 30 JKEBMN CCN1C(=O)C[C@H](C(=O)Nc2ccccc2)SC1=Nc1ccc(Cc2nc3ccccc3[nH]2)cc1 ZINC000100150521 569754099 /nfs/dbraw/zinc/75/40/99/569754099.db2.gz NCFPTHZMACOZBS-HIDJJAHFSA-N 0 1 483.597 5.134 40 30 JKEBMN O=C(C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Br)cc1 ZINC000100859863 569772621 /nfs/dbraw/zinc/77/26/21/569772621.db2.gz DMBQCQDTTKTBSE-UOODYVSWSA-N 0 1 480.387 5.614 40 30 JKEBMN CC[C@H](C)c1ccc2oc(-c3ccc(/N=C\c4cc(Cl)cc(Br)c4O)cc3)nc2c1 ZINC000100953483 569777665 /nfs/dbraw/zinc/77/76/65/569777665.db2.gz AWXCUMAFADKZCQ-ZFBNKNOKSA-N 0 1 483.793 7.880 40 30 JKEBMN CCOc1ccc(N=C2SC(CC(=O)c3ccc(F)cc3)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000101025186 569779770 /nfs/dbraw/zinc/77/97/70/569779770.db2.gz KDLRKDPRHRKRSE-MHJKBTLGSA-N 0 1 492.572 6.032 40 30 JKEBMN O=C1c2ccccc2C(=O)N1c1ccc(/N=C/c2cc(Cl)cc(Br)c2O)c(Cl)c1 ZINC000038162576 569799723 /nfs/dbraw/zinc/79/97/23/569799723.db2.gz IOCSEDXOARMHSZ-KIBLKLHPSA-N 0 1 490.140 6.013 40 30 JKEBMN CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Br)cc(Cl)c4O)c3)nc2c1 ZINC000038180008 569800240 /nfs/dbraw/zinc/80/02/40/569800240.db2.gz YVIYSQBGLKDVHL-HWDKICEFSA-N 0 1 483.793 7.880 40 30 JKEBMN O=C1C=C(NNc2nc(-c3ccc(Cl)cc3)cs2)C(c2ccccc2)N1c1ccccc1 ZINC000104269440 569844442 /nfs/dbraw/zinc/84/44/42/569844442.db2.gz XEJJWWQGYOIGLR-DHHFVULLSA-N 0 1 458.974 6.410 40 30 JKEBMN CCC[C@H]1[C@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)C[C@@]1(O)C#Cc1ccccc1 ZINC000106587195 569854435 /nfs/dbraw/zinc/85/44/35/569854435.db2.gz BKJQDSATKUPWJM-KRCBVYEFSA-N 0 1 455.598 5.679 40 30 JKEBMN Oc1ccc(-c2nc3cc(/N=C/c4cc(Cc5ccccc5)ccc4O)ccc3o2)cc1Br ZINC000109503596 569860579 /nfs/dbraw/zinc/86/05/79/569860579.db2.gz ABSUICFGAZOFSI-MUFRIFMGSA-N 0 1 499.364 7.010 40 30 JKEBMN C=CCSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)s1 ZINC000223321973 569907484 /nfs/dbraw/zinc/90/74/84/569907484.db2.gz KAFOASPIURFXIT-UHFFFAOYSA-N 0 1 495.051 5.140 40 30 JKEBMN C=CCSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)s1 ZINC000224355576 569941741 /nfs/dbraw/zinc/94/17/41/569941741.db2.gz MMNADNGZHAAZJQ-UHFFFAOYSA-N 0 1 495.051 5.140 40 30 JKEBMN C=CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000408629833 569981917 /nfs/dbraw/zinc/98/19/17/569981917.db2.gz ITUJARUZVUADFE-UHFFFAOYSA-N 0 1 470.978 5.575 40 30 JKEBMN COc1cc(CN=Nc2nc3ccccc3n2C)ccc1OCc1ccc(Br)cc1 ZINC000408647326 569992218 /nfs/dbraw/zinc/99/22/18/569992218.db2.gz BQSCAGNRBXIGMY-AFUMVMLFSA-N 0 1 465.351 5.369 40 30 JKEBMN CCOc1cc(CN=Nc2nc3ccccc3n2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000408656816 569997908 /nfs/dbraw/zinc/99/79/08/569997908.db2.gz MKUXCPUUOULHRS-MZJWZYIUSA-N 0 1 469.372 6.304 40 30 JKEBMN CCOc1cc(CN=Nc2nc3ccccc3n2CC)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408692430 570015454 /nfs/dbraw/zinc/01/54/54/570015454.db2.gz MGTYMRFQGWSEHT-WGOQTCKBSA-N 0 1 459.506 5.388 40 30 JKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000408692553 570015470 /nfs/dbraw/zinc/01/54/70/570015470.db2.gz PEVGFVVVNAKWIA-CCVNUDIWSA-N 0 1 462.384 6.812 40 30 JKEBMN C=CCc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000408692952 570015708 /nfs/dbraw/zinc/01/57/08/570015708.db2.gz ZEQLBUNDSOVOBR-HYARGMPZSA-N 0 1 494.975 5.061 40 30 JKEBMN Cc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCOC(C)C)cc1 ZINC000408702389 570022399 /nfs/dbraw/zinc/02/23/99/570022399.db2.gz BFXBKUCSSLQDFI-NRFANRHFSA-N 0 1 472.379 5.151 40 30 JKEBMN CC(C)OCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000408702691 570022722 /nfs/dbraw/zinc/02/27/22/570022722.db2.gz OOARLBNPIMBTCT-FQEVSTJZSA-N 0 1 492.797 5.496 40 30 JKEBMN CC(C)OCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000408702982 570023035 /nfs/dbraw/zinc/02/30/35/570023035.db2.gz YANAIHNGSHPZRZ-QHCPKHFHSA-N 0 1 455.982 5.857 40 30 JKEBMN O=C1/C(=C/c2cc(Cl)cc(Cl)c2O)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000408724777 570027875 /nfs/dbraw/zinc/02/78/75/570027875.db2.gz BYCYBRRPDYKZOE-UILYKIRISA-N 0 1 469.393 6.372 40 30 JKEBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)C(=O)NC2=S)c1 ZINC000408806150 570047589 /nfs/dbraw/zinc/04/75/89/570047589.db2.gz AARBAWHHNRUTKV-AFUMVMLFSA-N 0 1 490.588 5.009 40 30 JKEBMN COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc([N+](=O)[O-])c1O ZINC000408850600 570055401 /nfs/dbraw/zinc/05/54/01/570055401.db2.gz PBYPUPKMILIGAC-CFRMEGHHSA-N 0 1 451.504 5.252 40 30 JKEBMN O=C(NCc1ccco1)c1c2c(sc1/N=C\c1cc(Br)cc(Cl)c1O)CCCC2 ZINC000408852178 570055693 /nfs/dbraw/zinc/05/56/93/570055693.db2.gz JBSSACQFCAFRLO-MRUKODCESA-N 0 1 493.810 6.022 40 30 JKEBMN Cc1c(CN=Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000408908126 570071462 /nfs/dbraw/zinc/07/14/62/570071462.db2.gz BAVUCUPINSREOF-ZMFRSBBQSA-N 0 1 453.329 6.659 40 30 JKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408912266 570073438 /nfs/dbraw/zinc/07/34/38/570073438.db2.gz QDYZTHQLSWVZKV-NTFVMDSBSA-N 0 1 458.493 6.166 40 30 JKEBMN CCOCCN1C(=O)/C(=C/c2cc(Cl)cc(Br)c2O)S/C1=N/c1ccccc1 ZINC000408930361 570079725 /nfs/dbraw/zinc/07/97/25/570079725.db2.gz WBLHDEYHTQRITE-RVIYGNEXSA-N 0 1 481.799 5.449 40 30 JKEBMN CCc1nc(C)cc(NCC(=O)[C@@H]2CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)c1O ZINC000252428120 570080326 /nfs/dbraw/zinc/08/03/26/570080326.db2.gz QMKTXPISAYWCEZ-ZGZPYZGXSA-N 0 1 464.650 5.787 40 30 JKEBMN O=C(Nc1ccccc1)c1c(/N=C/c2ccc(O)c(Br)c2)sc2c1CCCCCC2 ZINC000408971293 570088829 /nfs/dbraw/zinc/08/88/29/570088829.db2.gz IEJDMJZESAEYGA-CVKSISIWSA-N 0 1 483.431 6.878 40 30 JKEBMN CCOC(=O)C1=C(C)NC(SCc2ccccc2C#N)=N[C@H]1c1cccc(Br)c1 ZINC000408988039 570093156 /nfs/dbraw/zinc/09/31/56/570093156.db2.gz GRWPKFLBPNENMY-FQEVSTJZSA-N 0 1 470.392 5.092 40 30 JKEBMN C=C1N=C(SCc2ccccc2C#N)N[C@@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408988039 570093157 /nfs/dbraw/zinc/09/31/57/570093157.db2.gz GRWPKFLBPNENMY-FQEVSTJZSA-N 0 1 470.392 5.092 40 30 JKEBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000409021842 570103227 /nfs/dbraw/zinc/10/32/27/570103227.db2.gz BKHHBQLHDGTUSR-MGZHSMRGSA-N 0 1 470.598 5.929 40 30 JKEBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000409021843 570103253 /nfs/dbraw/zinc/10/32/53/570103253.db2.gz BKHHBQLHDGTUSR-WJRZFDRGSA-N 0 1 470.598 5.929 40 30 JKEBMN O=C1CCCC2=C1C(c1cc(Cl)cc(Cl)c1O)C1=C(CCCC1=O)N2CCc1ccccc1 ZINC000409037594 570106866 /nfs/dbraw/zinc/10/68/66/570106866.db2.gz SXYGECVNOXKKKB-UHFFFAOYSA-N 0 1 482.407 6.355 40 30 JKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409063802 570115516 /nfs/dbraw/zinc/11/55/16/570115516.db2.gz NJGSPIDLSIYMRS-VPUKRXIYSA-N 0 1 484.305 6.831 40 30 JKEBMN C=CCc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(OC)c1OCc1ccc(F)cc1 ZINC000409068204 570117336 /nfs/dbraw/zinc/11/73/36/570117336.db2.gz HSPRXUYCRRIJHW-VVEOGCPPSA-N 0 1 459.443 6.002 40 30 JKEBMN N#Cc1ccccc1COc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1Br ZINC000409068573 570117462 /nfs/dbraw/zinc/11/74/62/570117462.db2.gz RYKXOUZQDAKVBA-IPBVOBEMSA-N 0 1 475.268 5.760 40 30 JKEBMN C=CCc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(OC)c1OCc1ccc(C)cc1 ZINC000409070137 570118013 /nfs/dbraw/zinc/11/80/13/570118013.db2.gz DPRKLIDVDCHMOW-AMVVHIIESA-N 0 1 455.480 6.171 40 30 JKEBMN CCOc1c(Br)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000409075174 570119695 /nfs/dbraw/zinc/11/96/95/570119695.db2.gz PGKYUUNWKHWNDN-LSFURLLWSA-N 0 1 462.222 5.229 40 30 JKEBMN C=CCc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409080129 570121368 /nfs/dbraw/zinc/12/13/68/570121368.db2.gz LSDDSYDTWMKKCI-XAZZYMPDSA-N 0 1 489.925 6.906 40 30 JKEBMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000409086346 570123316 /nfs/dbraw/zinc/12/33/16/570123316.db2.gz QKSUDRRQHCCRPP-GATIEOLUSA-N 0 1 496.854 6.772 40 30 JKEBMN Cc1c(Cl)cccc1/N=C/c1cc(Br)cc(I)c1O ZINC000409097850 570127308 /nfs/dbraw/zinc/12/73/08/570127308.db2.gz ORLBKQIQPOKMPS-CNHKJKLMSA-N 0 1 450.501 5.472 40 30 JKEBMN C#CCOc1cc(Br)c(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC ZINC000409099457 570127830 /nfs/dbraw/zinc/12/78/30/570127830.db2.gz SPPSLEQMHJBPCN-BHGWPJFGSA-N 0 1 486.244 5.233 40 30 JKEBMN Fc1ccc(COc2ccc(Br)cc2C=NNc2ccc(C(F)(F)F)cn2)cc1 ZINC000409100517 570128308 /nfs/dbraw/zinc/12/83/08/570128308.db2.gz UBVXFNZUXMLMEI-YPXUMCKCSA-N 0 1 468.248 6.027 40 30 JKEBMN Cc1ccc(/N=C/c2cc(Br)cc(I)c2O)cc1Cl ZINC000409100816 570128386 /nfs/dbraw/zinc/12/83/86/570128386.db2.gz WYWRNOBQAXNTPS-CNHKJKLMSA-N 0 1 450.501 5.472 40 30 JKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409103074 570129027 /nfs/dbraw/zinc/12/90/27/570129027.db2.gz AHNKAZDQSRERPG-KKMKTNMSSA-N 0 1 460.412 5.432 40 30 JKEBMN Cc1ccc(/N=C\c2cc(Br)cc(I)c2O)c(Br)c1 ZINC000409103476 570129206 /nfs/dbraw/zinc/12/92/06/570129206.db2.gz BTLACEDPAKXSPW-WSVATBPTSA-N 0 1 494.952 5.581 40 30 JKEBMN C=CCc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409105077 570129793 /nfs/dbraw/zinc/12/97/93/570129793.db2.gz GDCVJPMDKAMUCQ-VFLNYLIXSA-N 0 1 486.450 5.771 40 30 JKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(Br)cc1OCc1ccc(F)cc1 ZINC000409106739 570130580 /nfs/dbraw/zinc/13/05/80/570130580.db2.gz OQWJIUUEXRBLCA-ORBVJSQLSA-N 0 1 498.274 6.036 40 30 JKEBMN CCOc1ccc(/N=C2/SC(Cc3cc(Br)ccc3OC)C(=O)N2CC)cc1 ZINC000409145091 570146491 /nfs/dbraw/zinc/14/64/91/570146491.db2.gz MHSNUAFIJVMZDL-KFGJJWJMSA-N 0 1 463.397 5.051 40 30 JKEBMN CCOc1ccc(/N=C2/SC(Cc3cc(Br)cc(Cl)c3OC)C(=O)N2CC)cc1 ZINC000409146447 570147130 /nfs/dbraw/zinc/14/71/30/570147130.db2.gz UDVWVINOYHYAQZ-JQBIEYAESA-N 0 1 497.842 5.704 40 30 JKEBMN CCOc1ccc(/N=C2/SC(Cc3ccc(OC)c(Br)c3)C(=O)N2CC)cc1 ZINC000409146833 570147433 /nfs/dbraw/zinc/14/74/33/570147433.db2.gz UXGWTOLNOMYZGN-KSHDEOPHSA-N 0 1 463.397 5.051 40 30 JKEBMN COc1ccc(/N=C2/SC(Cc3ccc(OCc4ccccc4F)cc3)C(=O)N2C)cc1 ZINC000409147189 570147547 /nfs/dbraw/zinc/14/75/47/570147547.db2.gz WRVJXJDMCDQWLD-BYWRHQNTSA-N 0 1 450.535 5.217 40 30 JKEBMN N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(Br)cc(Br)c2O)C1=O ZINC000409174897 570156357 /nfs/dbraw/zinc/15/63/57/570156357.db2.gz VLFQCEOAWVXBAJ-GIDUJCDVSA-N 0 1 494.164 5.025 40 30 JKEBMN Cc1nc(SCC(=O)Nc2ccccc2)c(C#N)c(C)c1C=C(O)c1ccc(Br)cc1 ZINC000261526682 570170367 /nfs/dbraw/zinc/17/03/67/570170367.db2.gz GVZWJUXNHKMXFZ-UHFFFAOYSA-N 0 1 494.414 5.489 40 30 JKEBMN N#Cc1ccccc1Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000409231434 570177943 /nfs/dbraw/zinc/17/79/43/570177943.db2.gz JBOYUBIYIQJQKU-FYJGNVAPSA-N 0 1 496.979 5.046 40 30 JKEBMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000003191658 194236985 /nfs/dbraw/zinc/23/69/85/194236985.db2.gz OCFRGKPQGQFLQG-YSURURNPSA-N 0 1 462.130 7.020 40 30 JKEBMN Cc1ccc2oc(-c3ccc(C)c(/N=C/c4cc(Br)cc(Cl)c4O)c3)nc2c1 ZINC000003191036 194236989 /nfs/dbraw/zinc/23/69/89/194236989.db2.gz XNICRPSFRZUCIP-OPEKNORGSA-N 0 1 455.739 6.984 40 30 JKEBMN CC1=CC(=O)[C@@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@@H](C)[C@H]1C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000004266921 194386749 /nfs/dbraw/zinc/38/67/49/194386749.db2.gz OIEKVVDJPPURMU-ONELGEAISA-N 0 1 488.709 6.392 40 30 JKEBMN CCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(F)c1 ZINC000059102824 195387466 /nfs/dbraw/zinc/38/74/66/195387466.db2.gz QUZGSIPJHDETOP-MHZLTWQESA-N 0 1 495.635 7.334 40 30 JKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000059194471 195394186 /nfs/dbraw/zinc/39/41/86/195394186.db2.gz NXRCMJJGPMYMHE-AFUMVMLFSA-N 0 1 451.935 6.014 40 30 JKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000059194456 195394193 /nfs/dbraw/zinc/39/41/93/195394193.db2.gz BSESEGVOTFGWTA-JVWAILMASA-N 0 1 459.571 6.268 40 30 JKEBMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000059194456 195394196 /nfs/dbraw/zinc/39/41/96/195394196.db2.gz BSESEGVOTFGWTA-JVWAILMASA-N 0 1 459.571 6.268 40 30 JKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccc(Br)cc1 ZINC000059194494 195394318 /nfs/dbraw/zinc/39/43/18/195394318.db2.gz VSRNBUXDMPJTRP-AFUMVMLFSA-N 0 1 496.386 6.123 40 30 JKEBMN CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OC(=O)c1ccc(Br)cc1 ZINC000059194494 195394319 /nfs/dbraw/zinc/39/43/19/195394319.db2.gz VSRNBUXDMPJTRP-AFUMVMLFSA-N 0 1 496.386 6.123 40 30 JKEBMN Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)[C@H](C(=O)C=Cc1ccccc1)[C@H]1OC(=O)c2ccccc21 ZINC000102919813 130390339 /nfs/dbraw/zinc/39/03/39/130390339.db2.gz FTTKFDCSVAEVNL-GXNHVJGDSA-N 0 1 495.575 5.611 40 30 JKEBMN BrC(/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)=C\c1ccccc1 ZINC000012465116 518206161 /nfs/dbraw/zinc/20/61/61/518206161.db2.gz ISGBSPLELUKAAH-SZZBNFCASA-N 0 1 458.403 5.796 40 30 JKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1O ZINC000003035800 520786660 /nfs/dbraw/zinc/78/66/60/520786660.db2.gz ZNFPDOOMYRIPEQ-OPEKNORGSA-N 0 1 472.284 6.565 40 30 JKEBMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000003337140 520813592 /nfs/dbraw/zinc/81/35/92/520813592.db2.gz RLXYPIFRYAESPU-JFLMPSFJSA-N 0 1 495.004 6.130 40 30 JKEBMN CCN(CC)c1ccc(CN=Nc2nc(C(Cl)(Cl)Cl)nc3ccc(C)cc32)cc1 ZINC000012524477 520883349 /nfs/dbraw/zinc/88/33/49/520883349.db2.gz IDGKSIQYHUMOAG-DHRITJCHSA-N 0 1 450.801 6.057 40 30 JKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000033045594 521991744 /nfs/dbraw/zinc/99/17/44/521991744.db2.gz BHMXIFIFIXBDHQ-IPBVOBEMSA-N 0 1 478.858 5.226 40 30 JKEBMN COc1cc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)ccc1OCc1ccccc1 ZINC000012467042 522005323 /nfs/dbraw/zinc/00/53/23/522005323.db2.gz QHHMOASXEAKBQY-NVMPUMLXSA-N 0 1 489.619 5.996 40 30 JKEBMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4c(F)c(F)c(F)c(F)c4F)nc3c2)c1O ZINC000016194967 522974110 /nfs/dbraw/zinc/97/41/10/522974110.db2.gz CAYQTVLADKAHPL-OAHLVZFQSA-N 0 1 479.317 5.563 40 30 JKEBMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)cc1OCc1ccccc1 ZINC000012465270 523460675 /nfs/dbraw/zinc/46/06/75/523460675.db2.gz VOWSVAKPALKBJF-QRQIAZFYSA-N 0 1 472.614 6.375 40 30 JKEBMN Cc1cc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)n1-c1ccccc1Cl ZINC000021487148 526092908 /nfs/dbraw/zinc/09/29/08/526092908.db2.gz WXSPTUBUWPRVMN-WEMUVCOSSA-N 0 1 483.059 6.489 40 30 JKEBMN Cc1cc(/N=C/c2cc(Cl)cc(Br)c2O)ccc1-c1cc2ccccc2oc1=O ZINC000016283213 526098661 /nfs/dbraw/zinc/09/86/61/526098661.db2.gz SVDFDWAQNQWWLX-RPPGKUMJSA-N 0 1 468.734 6.641 40 30 JKEBMN Oc1c(Br)cc(Cl)cc1/C=N/c1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000016545482 526324702 /nfs/dbraw/zinc/32/47/02/526324702.db2.gz HZRLNIMFUVHZDY-YSURURNPSA-N 0 1 478.198 7.489 40 30 JKEBMN S=c1[nH]nc(-c2cccc(Cl)c2)n1N=Cc1ccc(-c2ccccc2Br)o1 ZINC000012485519 526386678 /nfs/dbraw/zinc/38/66/78/526386678.db2.gz JAFDXOAGWHBGFJ-SSDVNMTOSA-N 0 1 459.756 6.166 40 30 JKEBMN O=C(Oc1ccccc1C=NNc1nc2ccccc2s1)c1ccccc1Br ZINC000021487043 526446991 /nfs/dbraw/zinc/44/69/91/526446991.db2.gz QZILQMMJUWJGNT-YDZHTSKRSA-N 0 1 452.333 5.724 40 30 JKEBMN Clc1ccccc1-c1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)o1 ZINC000016490572 526983227 /nfs/dbraw/zinc/98/32/27/526983227.db2.gz RTFCDNZHFUZJQX-PKAZHMFMSA-N 0 1 473.968 5.965 40 30 JKEBMN O=C(Nc1ccc(/N=C/c2cc(Cl)cc(Br)c2O)cc1)c1cccc(Cl)c1 ZINC000016398811 527153550 /nfs/dbraw/zinc/15/35/50/527153550.db2.gz QYHKZLJHACMVCG-BHGWPJFGSA-N 0 1 464.146 6.464 40 30 JKEBMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000001414739 553968717 /nfs/dbraw/zinc/96/87/17/553968717.db2.gz PJSBFSQZRGQXFT-DEOSSOPVSA-N 0 1 458.464 5.267 40 30 JKEBMN CCCCCCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000002259294 554120966 /nfs/dbraw/zinc/12/09/66/554120966.db2.gz RLCGFGLESMXZQU-AWCRTANDSA-N 0 1 498.623 6.477 40 30 JKEBMN CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000005923558 554496107 /nfs/dbraw/zinc/49/61/07/554496107.db2.gz MEZBAAHWLURJKJ-JOCHJYFZSA-N 0 1 468.336 6.175 40 30 JKEBMN N#Cc1c2c(sc1/N=C/c1cc(Br)cc(Cl)c1[O-])C[N@H+](Cc1ccccc1)CC2 ZINC000013602529 555530397 /nfs/dbraw/zinc/53/03/97/555530397.db2.gz OIGFFOYZOJXOEF-KBKYJPHKSA-N 0 1 486.822 6.050 40 30 JKEBMN N#Cc1c2c(sc1/N=C/c1cc(Br)cc(Cl)c1[O-])C[N@@H+](Cc1ccccc1)CC2 ZINC000013602529 555530399 /nfs/dbraw/zinc/53/03/99/555530399.db2.gz OIGFFOYZOJXOEF-KBKYJPHKSA-N 0 1 486.822 6.050 40 30 JKEBMN CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CCN(Cc3ccccc3)Cc3ccccc3)CC[C@H]21 ZINC000020111562 555648232 /nfs/dbraw/zinc/64/82/32/555648232.db2.gz FICLHMZQURYKDA-DQQHMPIDSA-N 0 1 465.637 6.790 40 30 JKEBMN COc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1OC ZINC000014163713 555717160 /nfs/dbraw/zinc/71/71/60/555717160.db2.gz HNVOVOJWXHDDJT-PWECECGKSA-N 0 1 463.965 5.797 40 30 JKEBMN N#Cc1c(N)nc(-c2cc3cc(Br)ccc3nc2Cl)cc1-c1ccc2[nH]cnc2c1 ZINC000020477560 555791731 /nfs/dbraw/zinc/79/17/31/555791731.db2.gz IIUCCEQJCPHDHS-UHFFFAOYSA-N 0 1 475.737 5.710 40 30 JKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccc(Br)cc1 ZINC000014407586 555808504 /nfs/dbraw/zinc/80/85/04/555808504.db2.gz OTFJJFXRJKCHGS-ZMOGYAJESA-N 0 1 468.376 6.092 40 30 JKEBMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1ccc(Br)cc1 ZINC000014407586 555808507 /nfs/dbraw/zinc/80/85/07/555808507.db2.gz OTFJJFXRJKCHGS-ZMOGYAJESA-N 0 1 468.376 6.092 40 30 JKEBMN Clc1ccc(COc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2Br)cc1 ZINC000014408438 555809142 /nfs/dbraw/zinc/80/91/42/555809142.db2.gz KKYBOQVOVIUMSJ-WYMPLXKRSA-N 0 1 472.795 6.737 40 30 JKEBMN Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000014408410 555809203 /nfs/dbraw/zinc/80/92/03/555809203.db2.gz VAHCIFJVDPSDDO-JVWAILMASA-N 0 1 467.554 6.725 40 30 JKEBMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000014408410 555809208 /nfs/dbraw/zinc/80/92/08/555809208.db2.gz VAHCIFJVDPSDDO-JVWAILMASA-N 0 1 467.554 6.725 40 30 JKEBMN CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(Br)c4O)cc3)nc2c1 ZINC000016610607 556146340 /nfs/dbraw/zinc/14/63/40/556146340.db2.gz AWXCUMAFADKZCQ-ZKJHFGPLSA-N 0 1 483.793 7.880 40 30 JKEBMN N#CC(C(=O)CCC(=O)[C@@H](C#N)c1c(Cl)cccc1Cl)c1c(Cl)cccc1Cl ZINC000017176528 556231994 /nfs/dbraw/zinc/23/19/94/556231994.db2.gz BMHOWYBMWBNCMS-TXEJJXNPSA-N 0 1 454.140 6.133 40 30 JKEBMN Cc1cc(C)nc(NC(=NC(=O)Nc2ccc(Cl)cc2)NCCc2c[nH]c3ccc(F)cc23)n1 ZINC000018055290 556280781 /nfs/dbraw/zinc/28/07/81/556280781.db2.gz ASJSGZANAFGZDV-UHFFFAOYSA-N 0 1 479.947 5.200 40 30 JKEBMN O=S(=O)(Nc1cc(Cl)c(Cl)cc1/N=C/c1cc(Cl)ccc1O)c1ccccc1 ZINC000018057564 556281097 /nfs/dbraw/zinc/28/10/97/556281097.db2.gz AVWLMTSMRYWYTD-FOKLQQMPSA-N 0 1 455.750 5.904 40 30 JKEBMN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(Cl)cc23)NC(=S)Nc2ccc(F)cc2)n1 ZINC000018097358 556287005 /nfs/dbraw/zinc/28/70/05/556287005.db2.gz XQVCWXYRALXXFL-UHFFFAOYSA-N 0 1 496.015 5.364 40 30 JKEBMN CCn1c2ccccc2c2cc(/C=N\N3CCN(C4c5ccccc5-c5ccccc54)CC3)ccc21 ZINC000030742763 556370863 /nfs/dbraw/zinc/37/08/63/556370863.db2.gz WRYRYVFRBIBJBV-NVMPUMLXSA-N 0 1 470.620 6.536 40 30 JKEBMN O=C(COc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1Cl)Nc1ccccc1F ZINC000033606602 569628681 /nfs/dbraw/zinc/62/86/81/569628681.db2.gz OTCQCEOYLXURHT-LGUSAWBASA-N 0 1 466.822 5.356 40 30 JKEBMN O=[N+]([O-])c1ccccc1-c1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)o1 ZINC000033958495 569639447 /nfs/dbraw/zinc/63/94/47/569639447.db2.gz PJJVLTAIJSGZHV-YZSQISJMSA-N 0 1 484.520 5.220 40 30 JKEBMN CCc1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164207 569676379 /nfs/dbraw/zinc/67/63/79/569676379.db2.gz MRNCXUAHEDNRBB-VWLOTQADSA-N 0 1 486.593 5.621 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4cccc(OC)c4)[C@H]3c3ccccc3)c2c1 ZINC000035163945 569676429 /nfs/dbraw/zinc/67/64/29/569676429.db2.gz CFIIYHPLZLGKEA-AREMUKBSSA-N 0 1 482.536 5.006 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)C=Cc4ccccc4)[C@H]3c3ccc(O)cc3)c2c1 ZINC000035164121 569676432 /nfs/dbraw/zinc/67/64/32/569676432.db2.gz UCIUHPAMCWSSLK-LQCSZWMHSA-N 0 1 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Fc1ccc(Nc2nc(=NN=Cc3ccc(-c4ccc(F)cc4)o3)nc(N3CCCCC3)[nH]2)cc1 ZINC000408974730 570089435 /nfs/dbraw/zinc/08/94/35/570089435.db2.gz CRPQOFGTDYDVBN-LQKURTRISA-N 0 1 475.503 5.590 40 30 JKEBMN COc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)c(Br)c(Br)c1O ZINC000408979980 570090604 /nfs/dbraw/zinc/09/06/04/570090604.db2.gz PBVYCLLBWLPWRF-UHFFFAOYSA-N 0 1 489.167 5.417 40 30 JKEBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409018952 570102313 /nfs/dbraw/zinc/10/23/13/570102313.db2.gz ZNGWSGFAJZDJPB-BOOTZKDASA-N 0 1 456.571 5.620 40 30 JKEBMN CCc1nc(C)cc(NCC(=O)[C@@H]2CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@@]5(C)[C@@H]4CC[C@@]23C)c1O ZINC000253504078 570102621 /nfs/dbraw/zinc/10/26/21/570102621.db2.gz QMKTXPISAYWCEZ-AFAOPMEWSA-N 0 1 464.650 5.787 40 30 JKEBMN CC[C@@H](C)c1ccc2oc(-c3ccc(N=Cc4cc(Cl)cc(Br)c4O)cc3)nc2c1 ZINC000254441727 570105788 /nfs/dbraw/zinc/10/57/88/570105788.db2.gz AWXCUMAFADKZCQ-CQSZACIVSA-N 0 1 483.793 7.880 40 30 JKEBMN CCc1ccc2oc(-c3cc(N=Cc4c(O)ccc5cc([N+](=O)[O-])ccc54)ccc3O)nc2c1 ZINC000254877013 570106422 /nfs/dbraw/zinc/10/64/22/570106422.db2.gz TZPHYERLOMTMIC-UHFFFAOYSA-N 0 1 453.454 6.280 40 30 JKEBMN Cc1ccc(S(=O)(=O)Nc2ccccc2N=Cc2ccccc2I)cc1 ZINC000254911904 570106429 /nfs/dbraw/zinc/10/64/29/570106429.db2.gz RDPFALIJGAULIS-UHFFFAOYSA-N 0 1 476.339 5.151 40 30 JKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409043366 570108020 /nfs/dbraw/zinc/10/80/20/570108020.db2.gz MBYSOLZCAMOXJV-KBKYJPHKSA-N 0 1 492.815 7.290 40 30 JKEBMN CCCOc1c(I)cc(C=NN=c2[nH]c3ccccc3s2)cc1OCC ZINC000409063171 570115347 /nfs/dbraw/zinc/11/53/47/570115347.db2.gz HYAMQDHWNPTMHD-MTJSOVHGSA-N 0 1 481.359 5.534 40 30 JKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(Br)cc1OCc1ccccc1F ZINC000409066787 570116622 /nfs/dbraw/zinc/11/66/22/570116622.db2.gz PMEDDZZIWFJUED-ORBVJSQLSA-N 0 1 498.274 6.036 40 30 JKEBMN FC(F)(F)c1ccc(N=NCc2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)nc1 ZINC000409066565 570116638 /nfs/dbraw/zinc/11/66/38/570116638.db2.gz PAEPBQRURSTDEZ-KLPHOBTLSA-N 0 1 490.312 7.585 40 30 JKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000409084149 570122543 /nfs/dbraw/zinc/12/25/43/570122543.db2.gz BQIUEGFNFHCGIR-IPBVOBEMSA-N 0 1 497.832 6.440 40 30 JKEBMN CC(C)(C)c1ccc(/N=C\c2cc(Br)cc(I)c2O)cc1 ZINC000409084301 570122601 /nfs/dbraw/zinc/12/26/01/570122601.db2.gz BCVYMLWHXFIAIL-JMIUGGIZSA-N 0 1 458.137 5.807 40 30 JKEBMN CC[C@H](C)Oc1c(I)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1OC ZINC000409090530 570124747 /nfs/dbraw/zinc/12/47/47/570124747.db2.gz RAUPZTKTQPWQIE-OLLYESQCSA-N 0 1 493.267 5.337 40 30 JKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(Cl)cc1Cl ZINC000409094948 570126215 /nfs/dbraw/zinc/12/62/15/570126215.db2.gz GOUIFCFINFXSLF-VPUKRXIYSA-N 0 1 484.305 6.831 40 30 JKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1O[C@@H](C)CC ZINC000409096163 570126677 /nfs/dbraw/zinc/12/66/77/570126677.db2.gz FNOAEEQBQHAPIR-JBBSTVMTSA-N 0 1 459.852 6.289 40 30 JKEBMN FC(F)(F)c1ccc(NN=Cc2ccccc2OCc2ccc(Br)cc2)nc1 ZINC000409097333 570127225 /nfs/dbraw/zinc/12/72/25/570127225.db2.gz MYUOULOVLYRRLI-KBKYJPHKSA-N 0 1 450.258 5.888 40 30 JKEBMN Fc1ccccc1COc1ccc(Br)cc1C=NNc1ccc(C(F)(F)F)cn1 ZINC000409100776 570128247 /nfs/dbraw/zinc/12/82/47/570128247.db2.gz VDDDQUITLIQOHC-YPXUMCKCSA-N 0 1 468.248 6.027 40 30 JKEBMN CCOc1cc(Br)c(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC ZINC000409100568 570128278 /nfs/dbraw/zinc/12/82/78/570128278.db2.gz UXGLZGWXJVYAQO-AUEPDCJTSA-N 0 1 476.249 5.620 40 30 JKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(Br)cc1OCc1ccccc1 ZINC000409101656 570128638 /nfs/dbraw/zinc/12/86/38/570128638.db2.gz WYWOKTSFBRDJMX-LUOAPIJWSA-N 0 1 480.284 5.897 40 30 JKEBMN C=CCc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(OCC)c1OCc1ccccc1 ZINC000409103479 570129180 /nfs/dbraw/zinc/12/91/80/570129180.db2.gz HEXPLZCQCRTYGL-FJEPWZHXSA-N 0 1 455.480 6.253 40 30 JKEBMN O=[N+]([O-])c1cccc(COc2ccc(Br)cc2C=NNc2ccc(C(F)(F)F)cn2)c1 ZINC000409103721 570129369 /nfs/dbraw/zinc/12/93/69/570129369.db2.gz FGRAMXOEDVWCLS-NSKAYECMSA-N 0 1 495.255 5.796 40 30 JKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1 ZINC000409105123 570129895 /nfs/dbraw/zinc/12/98/95/570129895.db2.gz GMUQKJRSRQUANW-XODNFHPESA-N 0 1 493.869 6.691 40 30 JKEBMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1 ZINC000409105632 570130039 /nfs/dbraw/zinc/13/00/39/570130039.db2.gz NQFSHLVQLUYLRJ-ORBVJSQLSA-N 0 1 470.329 6.266 40 30 JKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409107213 570130668 /nfs/dbraw/zinc/13/06/68/570130668.db2.gz QCFAGOZRERIDQR-XKJRVUDJSA-N 0 1 492.885 5.616 40 30 JKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc2ccccc2c1 ZINC000409107290 570130703 /nfs/dbraw/zinc/13/07/03/570130703.db2.gz QRPPCEHYMYRPCL-IBBHUPRXSA-N 0 1 465.475 6.677 40 30 JKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409107623 570130862 /nfs/dbraw/zinc/13/08/62/570130862.db2.gz SEYDVNMWKAEGGH-IPBVOBEMSA-N 0 1 494.857 6.086 40 30 JKEBMN FC(F)(F)c1ccc(N=NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)nc1 ZINC000409107948 570130945 /nfs/dbraw/zinc/13/09/45/570130945.db2.gz YRQMDLMYYMBPQM-HIUVJMHLSA-N 0 1 474.697 7.086 40 30 JKEBMN Cc1cccc(COc2c(Cl)cc(C=NNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2Cl)c1 ZINC000409108530 570131259 /nfs/dbraw/zinc/13/12/59/570131259.db2.gz UYMOIEKGKYFONA-IPBVOBEMSA-N 0 1 498.288 7.254 40 30 JKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Br)c1O[C@@H](C)CC ZINC000409117001 570134440 /nfs/dbraw/zinc/13/44/40/570134440.db2.gz MTOPALASDZNIAJ-LUKCILAXSA-N 0 1 460.294 5.885 40 30 JKEBMN CCOc1ccc(/N=C2/SC(Cc3cc(Br)cc(Cl)c3OC)C(=O)N2CC)cc1 ZINC000409146454 570147153 /nfs/dbraw/zinc/14/71/53/570147153.db2.gz UDVWVINOYHYAQZ-QAYQYMSWSA-N 0 1 497.842 5.704 40 30 JKEBMN CC/N=C1\SC(Cc2cc(Cl)c(OCc3ccccc3C#N)c(OCC)c2)C(=O)N1CC ZINC000409147221 570147569 /nfs/dbraw/zinc/14/75/69/570147569.db2.gz XBAKWIRCTIGHAN-LQUAGZSJSA-N 0 1 472.010 5.072 40 30 JKEBMN CCOc1ccc(/N=C2/SC(Cc3cc(Cl)c(OCC)c(Cl)c3)C(=O)N2CC)cc1 ZINC000409147644 570147751 /nfs/dbraw/zinc/14/77/51/570147751.db2.gz YHPMSIZKYVBOGI-FOFUNRBPSA-N 0 1 467.418 5.985 40 30 JKEBMN Cc1ccc(N=Cc2ccc(Sc3nc(-c4ccc(Cl)cc4Cl)n[nH]3)c([N+](=O)[O-])c2)cc1 ZINC000409189750 570161508 /nfs/dbraw/zinc/16/15/08/570161508.db2.gz SIFZZZVFTSLONB-BRJLIKDPSA-N 0 1 484.368 6.897 40 30 JKEBMN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(O)c(I)c3)sc2C1 ZINC000409200601 570165048 /nfs/dbraw/zinc/16/50/48/570165048.db2.gz ITUAYWLNZJPDFK-HJQVIKLGSA-N 0 1 464.372 5.832 40 30 JKEBMN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000408531778 570188275 /nfs/dbraw/zinc/18/82/75/570188275.db2.gz QVKSJBQUOMSRJG-PSYZWBJOSA-N 0 1 461.499 5.508 40 30 JKEBMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(CC#N)cc3)ccc2Cl)cc1C ZINC000408547893 570193940 /nfs/dbraw/zinc/19/39/40/570193940.db2.gz OITDJVOMGALBSV-UHFFFAOYSA-N 0 1 453.951 5.076 40 30 JKEBMN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc(-c4ccncc4)n[nH]3)sc2C1 ZINC000408580794 570206619 /nfs/dbraw/zinc/20/66/19/570206619.db2.gz DZAXHYPXQAFEFH-HNNXBMFYSA-N 0 1 466.636 5.072 40 30 JKEBMN COc1cc(Br)c(O)c(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1 ZINC000408587288 570208341 /nfs/dbraw/zinc/20/83/41/570208341.db2.gz FFBNJFYMTMHCDE-RWPZCVJISA-N 0 1 473.326 6.713 40 30 JKEBMN CN(C)c1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(Cl)c4O)ccc3o2)cc1 ZINC000003094502 194225090 /nfs/dbraw/zinc/22/50/90/194225090.db2.gz QSTHSSKDYHMSPZ-BRJLIKDPSA-N 0 1 470.754 6.433 40 30 JKEBMN Cc1cc2nc(-c3cccc(/N=C/c4cc(Br)cc(Cl)c4O)c3)oc2c(C)c1 ZINC000003094529 194225143 /nfs/dbraw/zinc/22/51/43/194225143.db2.gz WIYZMBKMVOOCMP-OPEKNORGSA-N 0 1 455.739 6.984 40 30 JKEBMN Cc1ccc2nc(-c3ccc(/N=C/c4cc(Cl)cc(I)c4O)cc3)oc2c1 ZINC000003049985 194218654 /nfs/dbraw/zinc/21/86/54/194218654.db2.gz STIDVYZPYFTTOY-BHGWPJFGSA-N 0 1 488.712 6.517 40 30 JKEBMN CC1=CC(=O)[C@@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@@H](C)[C@H]1C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000004266923 194386661 /nfs/dbraw/zinc/38/66/61/194386661.db2.gz OIEKVVDJPPURMU-SKNNEBJUSA-N 0 1 488.709 6.392 40 30 JKEBMN CCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000059102799 195387387 /nfs/dbraw/zinc/38/73/87/195387387.db2.gz FZGWFCRQMILUTK-MHZLTWQESA-N 0 1 477.645 7.194 40 30 JKEBMN C=CCc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(F)cc1 ZINC000059136332 195391750 /nfs/dbraw/zinc/39/17/50/195391750.db2.gz SNNFUJKDVQKQJH-RCCKNPSSSA-N 0 1 490.531 5.944 40 30 JKEBMN Oc1c(Br)cc(Br)cc1CN=Nc1c(F)c(F)c(F)c(F)c1F ZINC000059166667 195393166 /nfs/dbraw/zinc/39/31/66/195393166.db2.gz ATNBTPSXTHNNLE-WSVFEZOKSA-N 0 1 459.994 5.059 40 30 JKEBMN Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3cc(Br)cc(Br)c3O)S2)c1 ZINC000059426788 195401638 /nfs/dbraw/zinc/40/16/38/195401638.db2.gz BFUUFAVEKNZYTC-CHHVJCJISA-N 0 1 482.197 5.426 40 30 JKEBMN CC1(C)[C@H]2C[C@@H]1C(=CN=Nc1ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc1[N+](=O)[O-])CC2 ZINC000096398890 130075596 /nfs/dbraw/zinc/07/55/96/130075596.db2.gz XKAUGVZGOJEIFA-GYUMUEJPSA-N 0 1 474.970 5.439 40 30 JKEBMN C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1ccc(OCc2ccccc2)cc1 ZINC000012467850 518380809 /nfs/dbraw/zinc/38/08/09/518380809.db2.gz BWRXETOEVLDGAG-JDCMOKTRSA-N 0 1 459.593 5.987 40 30 JKEBMN CCCNC(=O)CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccccc1 ZINC000030823037 519868580 /nfs/dbraw/zinc/86/85/80/519868580.db2.gz CFJFFFBUGXPHJX-HHHXNRCGSA-N 0 1 459.590 5.136 40 30 JKEBMN CCCOc1c(I)cc(C=NN=c2[nH]c3ccccc3s2)cc1OC ZINC000033536209 520297906 /nfs/dbraw/zinc/29/79/06/520297906.db2.gz WLSSFCDTFOMANG-JAIQZWGSSA-N 0 1 467.332 5.144 40 30 JKEBMN COc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Br)c4O)ccc3o2)cc1OC ZINC000016227595 523225861 /nfs/dbraw/zinc/22/58/61/523225861.db2.gz DYEZMTANTMVSCA-OPEKNORGSA-N 0 1 487.737 6.384 40 30 JKEBMN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2ccccc2)cc1 ZINC000009264258 523678591 /nfs/dbraw/zinc/67/85/91/523678591.db2.gz QOJRDPWSGANIPM-CHJDUVSTSA-N 0 1 490.559 6.503 40 30 JKEBMN COc1ccccc1NC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccccc1 ZINC000021355798 524612995 /nfs/dbraw/zinc/61/29/95/524612995.db2.gz SUONWHSEWHKNPZ-HHHXNRCGSA-N 0 1 467.569 6.544 40 30 JKEBMN Cc1cc2nc(-c3cc(/N=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)ccc3O)oc2cc1C ZINC000016284181 525665533 /nfs/dbraw/zinc/66/55/33/525665533.db2.gz QKRWYUXBRCWLQA-VYYCAZPPSA-N 0 1 453.454 6.736 40 30 JKEBMN Cc1cc2nc(-c3cccc(/N=C/c4cc(Cl)cc(Br)c4O)c3C)oc2c(C)c1 ZINC000016268799 525667777 /nfs/dbraw/zinc/66/77/77/525667777.db2.gz XWRWMAHPMCHLSD-KBKYJPHKSA-N 0 1 469.766 7.292 40 30 JKEBMN Cc1c(Cl)c(C)c(/C=N/c2ccc(NC(=O)c3cccs3)cc2)c(O)c1Br ZINC000016249249 525742488 /nfs/dbraw/zinc/74/24/88/525742488.db2.gz IHZANNRGIRCSIM-AUEPDCJTSA-N 0 1 463.784 6.489 40 30 JKEBMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc(-c2nc3ncccc3o2)cc1 ZINC000014919844 526323079 /nfs/dbraw/zinc/32/30/79/526323079.db2.gz WTKQRKGJOWOCQV-AUEPDCJTSA-N 0 1 473.124 5.871 40 30 JKEBMN [O-]c1c(Br)cc(Cc2ccccc2Cl)cc1/C=N/c1ccc(N2CC[NH2+]CC2)cc1 ZINC000016450139 526324193 /nfs/dbraw/zinc/32/41/93/526324193.db2.gz KBGCRSLOFNLFBW-LQKURTRISA-N 0 1 484.825 5.559 40 30 JKEBMN Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000016545083 526324686 /nfs/dbraw/zinc/32/46/86/526324686.db2.gz OPRFLOCGYPCFRZ-UVHMKAGCSA-N 0 1 477.745 7.520 40 30 JKEBMN O=[N+]([O-])c1cc(/N=C/c2cc(Br)cc(Br)c2O)ccc1N1CCCCC1 ZINC000016384298 527326732 /nfs/dbraw/zinc/32/67/32/527326732.db2.gz IARNVQNCVPAKHG-SRZZPIQSSA-N 0 1 483.160 5.566 40 30 JKEBMN FC(F)(F)c1ccc(N=C(C=CNc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc2)cc1 ZINC000016400017 527682971 /nfs/dbraw/zinc/68/29/71/527682971.db2.gz XZRFONQAEBVDRV-RONFXEROSA-N 0 1 468.828 8.233 40 30 JKEBMN COc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1OC ZINC000014163716 555717169 /nfs/dbraw/zinc/71/71/69/555717169.db2.gz HNVOVOJWXHDDJT-HWRSSNJWSA-N 0 1 463.965 5.797 40 30 JKEBMN CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Br)cc(Cl)c4O)cc3)nc2c1 ZINC000022741250 555949248 /nfs/dbraw/zinc/94/92/48/555949248.db2.gz VUZGJPSSSKNHBQ-HWDKICEFSA-N 0 1 483.793 7.880 40 30 JKEBMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1N=NCc1ccccc1OC(F)F ZINC000012537664 556010931 /nfs/dbraw/zinc/01/09/31/556010931.db2.gz KMPFCXJSQSUJCM-WYMPLXKRSA-N 0 1 496.879 5.096 40 30 JKEBMN COc1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000015920360 556068104 /nfs/dbraw/zinc/06/81/04/556068104.db2.gz DWJDIHAGRDTHIN-XMMPIXPASA-N 0 1 488.565 5.068 40 30 JKEBMN COc1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000015920359 556068136 /nfs/dbraw/zinc/06/81/36/556068136.db2.gz DWJDIHAGRDTHIN-DEOSSOPVSA-N 0 1 488.565 5.068 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4cccs4)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000015920365 556068143 /nfs/dbraw/zinc/06/81/43/556068143.db2.gz HFCSORCOLUMEID-QHCPKHFHSA-N 0 1 476.529 5.198 40 30 JKEBMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccc(OC)cc34)[C@@H]2c2cccs2)cc1 ZINC000015920453 556069120 /nfs/dbraw/zinc/06/91/20/556069120.db2.gz LBLNIFZZSSDJKL-XMMPIXPASA-N 0 1 488.565 5.068 40 30 JKEBMN C/C(=N/c1ccc(S(=O)(=O)c2ccc(/N=C(/C)N3CCCCC3)cc2)cc1)N1CCCCC1 ZINC000017174749 556232097 /nfs/dbraw/zinc/23/20/97/556232097.db2.gz LFCXHSXPKZYWBT-ZDSKVHJSSA-N 0 1 466.651 5.591 40 30 JKEBMN O=C1C=C(NNc2nc(-c3ccc(Cl)cc3)cs2)C(c2ccccc2)N1c1ccccc1 ZINC000017175536 556232112 /nfs/dbraw/zinc/23/21/12/556232112.db2.gz XEJJWWQGYOIGLR-ZMKXUELPSA-N 0 1 458.974 6.410 40 30 JKEBMN O=C1C=C(NNc2nc(-c3ccc(Cl)cc3)cs2)C(c2ccccc2)N1c1ccccc1 ZINC000017175535 556232148 /nfs/dbraw/zinc/23/21/48/556232148.db2.gz XEJJWWQGYOIGLR-KBSPPKGDSA-N 0 1 458.974 6.410 40 30 JKEBMN Cc1ccc(SCC(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@@H]2c2cccs2)cc1 ZINC000030823028 556375505 /nfs/dbraw/zinc/37/55/05/556375505.db2.gz YEVUWUHJMNUJMQ-SANMLTNESA-N 0 1 460.624 6.356 40 30 JKEBMN C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1c2ccccc2cc2ccccc21 ZINC000019807917 556379407 /nfs/dbraw/zinc/37/94/07/556379407.db2.gz DHQHXUJIQCFBIF-NVMPUMLXSA-N 0 1 453.589 6.715 40 30 JKEBMN N#Cc1ccccc1Cn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000059109519 569602293 /nfs/dbraw/zinc/60/22/93/569602293.db2.gz ISIHJKFFLRNGEN-OEAKJJBVSA-N 0 1 452.514 5.196 40 30 JKEBMN N#Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(C#N)cc5)cc4[nH]3)cc2)cc1 ZINC000020457400 569602349 /nfs/dbraw/zinc/60/23/49/569602349.db2.gz MNNMROMJSGHIQY-UHFFFAOYSA-N 0 1 482.503 5.478 40 30 JKEBMN CCCOc1ccc(C(F)(F)F)cc1/N=C/c1cc(Br)cc(Br)c1O ZINC000059475453 569604899 /nfs/dbraw/zinc/60/48/99/569604899.db2.gz SCBSQLJIIABRHQ-NUGSKGIGSA-N 0 1 481.106 6.475 40 30 JKEBMN O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1cc(Cl)cc(Br)c1O ZINC000059566835 569606930 /nfs/dbraw/zinc/60/69/30/569606930.db2.gz VZHSKWJPOCMWTB-XGICHPGQSA-N 0 1 478.582 6.007 40 30 JKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000059720903 569607558 /nfs/dbraw/zinc/60/75/58/569607558.db2.gz NJZNEXMQCDIJSJ-BRJLIKDPSA-N 0 1 458.370 6.637 40 30 JKEBMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000059720903 569607560 /nfs/dbraw/zinc/60/75/60/569607560.db2.gz NJZNEXMQCDIJSJ-BRJLIKDPSA-N 0 1 458.370 6.637 40 30 JKEBMN C=C[C@@H]1C[N@H+]2CC[C@@H]1C[C@@H]2[C@@H](NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccnc2ccccc21 ZINC000065336745 569675310 /nfs/dbraw/zinc/67/53/10/569675310.db2.gz CEEKKKKVGBEIOA-UPJGTUFESA-N 0 1 486.729 5.605 40 30 JKEBMN COc1ccc(CCN2C(=O)C(=O)C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2Cl)cc1OC ZINC000035147149 569675769 /nfs/dbraw/zinc/67/57/69/569675769.db2.gz YENXKFXYSMIASY-RUZDIDTESA-N 0 1 491.971 5.487 40 30 JKEBMN COc1ccc(CCN2C(=O)C(=O)C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2Cl)cc1OC ZINC000035147151 569675804 /nfs/dbraw/zinc/67/58/04/569675804.db2.gz YENXKFXYSMIASY-VWLOTQADSA-N 0 1 491.971 5.487 40 30 JKEBMN CCc1ccc([C@H]2C(C(=O)C=Cc3ccccc3)C(=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000035147265 569675861 /nfs/dbraw/zinc/67/58/61/569675861.db2.gz YYYOMBPYEHTFAU-OZXNKBQZSA-N 0 1 497.591 5.487 40 30 JKEBMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000035147484 569676042 /nfs/dbraw/zinc/67/60/42/569676042.db2.gz BYOAZLFJNDXOMD-RUZDIDTESA-N 0 1 481.508 5.206 40 30 JKEBMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000035147495 569676201 /nfs/dbraw/zinc/67/62/01/569676201.db2.gz SECXPVRSFNAOPE-XMMPIXPASA-N 0 1 485.471 5.036 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4cccc(OC)c4)[C@@H]3c3ccc(C)cc3)c2c1 ZINC000035163951 569676367 /nfs/dbraw/zinc/67/63/67/569676367.db2.gz UDMLAANOSDVPCJ-MHZLTWQESA-N 0 1 496.563 5.315 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4cccs4)[C@@H]3c3ccc(Cl)cc3)c2c1 ZINC000035164180 569676377 /nfs/dbraw/zinc/67/63/77/569676377.db2.gz LYZIXLDZUXGKGD-QHCPKHFHSA-N 0 1 492.984 5.712 40 30 JKEBMN CCc1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164205 569676444 /nfs/dbraw/zinc/67/64/44/569676444.db2.gz MRNCXUAHEDNRBB-RUZDIDTESA-N 0 1 486.593 5.621 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)C=Cc4ccccc4)[C@H]3c3ccccc3)c2c1 ZINC000035164030 569676472 /nfs/dbraw/zinc/67/64/72/569676472.db2.gz QDMKLWGCRSPTMA-ZRAZOOHCSA-N 0 1 478.548 5.397 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)C=Cc4ccccc4)[C@@H]3c3cccc(F)c3)c2c1 ZINC000035164080 569676476 /nfs/dbraw/zinc/67/64/76/569676476.db2.gz WRLKEMBMQJZRDU-YMQVXYQWSA-N 0 1 496.538 5.536 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4cccc(OC)c4)[C@H]3c3ccc(C)cc3)c2c1 ZINC000035163949 569676480 /nfs/dbraw/zinc/67/64/80/569676480.db2.gz UDMLAANOSDVPCJ-HHHXNRCGSA-N 0 1 496.563 5.315 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)Cc4ccccc4)[C@@H]3c3cccc(F)c3)c2c1 ZINC000035164300 569676541 /nfs/dbraw/zinc/67/65/41/569676541.db2.gz GHPKKPWXJBOFJA-MHZLTWQESA-N 0 1 484.527 5.066 40 30 JKEBMN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cc(Br)cc(Br)c3O)S2)cc1 ZINC000100194681 569755071 /nfs/dbraw/zinc/75/50/71/569755071.db2.gz VDBIIJOYEVSJPJ-OVCLIPMQSA-N 0 1 498.196 5.208 40 30 JKEBMN CCOC(=O)c1ccccc1Oc1ccc(C(F)(F)F)cc1/N=C/c1cc(Cl)cc(Cl)c1O ZINC000100209583 569755449 /nfs/dbraw/zinc/75/54/49/569755449.db2.gz KYLVDYZUGBUKRU-XKJRVUDJSA-N 0 1 498.284 7.437 40 30 JKEBMN CCCCCCCCCCCCCCCCCC(=O)c1c2sc(=O)oc2c2ccccc2c1O ZINC000100987633 569778692 /nfs/dbraw/zinc/77/86/92/569778692.db2.gz DHWHFDZCSDSBOB-UHFFFAOYSA-N 0 1 484.702 9.158 40 30 JKEBMN CCCCC(=O)Nc1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1 ZINC000038179874 569800205 /nfs/dbraw/zinc/80/02/05/569800205.db2.gz WIUFFDLOLPCTAQ-SRZZPIQSSA-N 0 1 454.162 5.797 40 30 JKEBMN CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Br)cc(Cl)c4O)c3)nc2c1 ZINC000038180009 569800208 /nfs/dbraw/zinc/80/02/08/569800208.db2.gz YVIYSQBGLKDVHL-ZKJHFGPLSA-N 0 1 483.793 7.880 40 30 JKEBMN CCCCCCCCOc1ccc(C(=O)c2ccc(OCCCCCCCC)cc2O)cc1 ZINC000101655216 569802473 /nfs/dbraw/zinc/80/24/73/569802473.db2.gz IWXOHJZUKBPEEE-UHFFFAOYSA-N 0 1 454.651 8.102 40 30 JKEBMN CCc1nc(C)cc(NCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)c1O ZINC000118915988 569863139 /nfs/dbraw/zinc/86/31/39/569863139.db2.gz QMKTXPISAYWCEZ-XAPYVLTDSA-N 0 1 464.650 5.787 40 30 JKEBMN CCOc1cc(CN=Nc2nc3ccccc3n2CC)ccc1OCc1ccc(Cl)cc1Cl ZINC000408692274 570015289 /nfs/dbraw/zinc/01/52/89/570015289.db2.gz IXGCFWAKEQPHJV-RWPZCVJISA-N 0 1 483.399 6.787 40 30 JKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3[nH]2)cc(Br)c1OCc1ccccc1Cl ZINC000408724366 570027787 /nfs/dbraw/zinc/02/77/87/570027787.db2.gz DCRSLZANDXJMMG-ZMFRSBBQSA-N 0 1 499.796 6.403 40 30 JKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(I)cc1 ZINC000408779483 570041056 /nfs/dbraw/zinc/04/10/56/570041056.db2.gz XHXQZZLNGLLQTH-CIAFOILYSA-N 0 1 460.275 5.053 40 30 JKEBMN Cc1ccc(/N=C2\S/C(=C/c3cc(Br)cc(Br)c3O)C(=O)N2C)cc1 ZINC000408907058 570071138 /nfs/dbraw/zinc/07/11/38/570071138.db2.gz LIIQWKAZUBDLCR-NUFACVACSA-N 0 1 482.197 5.459 40 30 JKEBMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)C(=O)NC2=S)cc1C ZINC000408820709 570051868 /nfs/dbraw/zinc/05/18/68/570051868.db2.gz ZJRHRDZIJXGKBL-AFUMVMLFSA-N 0 1 490.588 5.009 40 30 JKEBMN C=CCn1c(C)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 ZINC000408850379 570055380 /nfs/dbraw/zinc/05/53/80/570055380.db2.gz MNASWTJYBKWPAE-FOWTUZBSSA-N 0 1 470.381 5.274 40 30 JKEBMN CC1=CC(=O)[C@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@H](C)[C@@H]1C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000245240122 570058014 /nfs/dbraw/zinc/05/80/14/570058014.db2.gz OIEKVVDJPPURMU-JXMDSVDJSA-N 0 1 488.709 6.392 40 30 JKEBMN COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc([N+](=O)[O-])c1O ZINC000408878493 570062216 /nfs/dbraw/zinc/06/22/16/570062216.db2.gz BKBSZNJBIYWEBG-GIYKLVIMSA-N 0 1 467.547 5.492 40 30 JKEBMN COc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000408911461 570072943 /nfs/dbraw/zinc/07/29/43/570072943.db2.gz ZLFLKROJSFLSBD-QRMZZTKZSA-N 0 1 475.526 5.674 40 30 JKEBMN CCOc1cc([N+](=O)[O-])cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c1O ZINC000408916292 570075542 /nfs/dbraw/zinc/07/55/42/570075542.db2.gz BDXMTNBTCCCOAS-YVOCRCSPSA-N 0 1 465.487 5.096 40 30 JKEBMN FC(F)(F)c1ccc(N=NCc2cc(Br)c(Sc3ccc(Cl)cc3)o2)nc1 ZINC000408937612 570081916 /nfs/dbraw/zinc/08/19/16/570081916.db2.gz GZLVIBHYINNVDI-OPVMPGTRSA-N 0 1 476.705 6.707 40 30 JKEBMN COCCCN1C(=O)/C(=C/c2cc(Cl)cc(Br)c2O)S/C1=N\c1ccccc1 ZINC000408943853 570083184 /nfs/dbraw/zinc/08/31/84/570083184.db2.gz ZFEFZKHFUCNGCJ-NKHYKUCGSA-N 0 1 481.799 5.449 40 30 JKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000408953905 570084617 /nfs/dbraw/zinc/08/46/17/570084617.db2.gz QKRUDGGWMPZISN-YDZHTSKRSA-N 0 1 473.963 5.172 40 30 JKEBMN COc1ccc(N=C2NC(=O)C(=Cc3ccc(Sc4nc5ccc(C)cc5[nH]4)o3)S2)cc1 ZINC000408961826 570086277 /nfs/dbraw/zinc/08/62/77/570086277.db2.gz OHFCPLFCBPKHML-XDHOZWIPSA-N 0 1 462.556 5.516 40 30 JKEBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409018954 570102286 /nfs/dbraw/zinc/10/22/86/570102286.db2.gz ZNGWSGFAJZDJPB-WTFDWONZSA-N 0 1 456.571 5.620 40 30 JKEBMN C=CCOc1c(Br)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000409064505 570115807 /nfs/dbraw/zinc/11/58/07/570115807.db2.gz DQEFMXLWKXCORS-AUEPDCJTSA-N 0 1 474.233 5.396 40 30 JKEBMN O=[N+]([O-])c1ccc(-c2ccc(C=NNc3ccc(C(F)(F)F)cn3)o2)c(Br)c1 ZINC000409069512 570117670 /nfs/dbraw/zinc/11/76/70/570117670.db2.gz VWJHSFZDMQARRP-AQHIEDMUSA-N 0 1 455.190 5.477 40 30 JKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Br)c1OC(C)C ZINC000409069505 570117699 /nfs/dbraw/zinc/11/76/99/570117699.db2.gz DEKQVDZRLXMOSP-NUGSKGIGSA-N 0 1 476.249 5.618 40 30 JKEBMN C=CCc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409076003 570120011 /nfs/dbraw/zinc/12/00/11/570120011.db2.gz WHBLCBCURUFLOB-VVEOGCPPSA-N 0 1 475.898 6.516 40 30 JKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1cccc(Br)c1 ZINC000409083732 570122333 /nfs/dbraw/zinc/12/23/33/570122333.db2.gz VPIASVBZYLMMBO-AFUMVMLFSA-N 0 1 496.386 6.123 40 30 JKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Br)c1OCc1ccccc1F ZINC000409093542 570125728 /nfs/dbraw/zinc/12/57/28/570125728.db2.gz AONOZQNZRQGEPX-ORBVJSQLSA-N 0 1 498.274 6.036 40 30 JKEBMN Oc1c(I)cc(Br)cc1/C=N\c1ccc(Cl)c(Cl)c1 ZINC000409093743 570125761 /nfs/dbraw/zinc/12/57/61/570125761.db2.gz BKAOKLWWXFOAGN-FXBPXSCXSA-N 0 1 470.919 5.817 40 30 JKEBMN FC(F)(F)c1ccc(N=NCc2cc(Cl)c(OCc3ccccc3)c(Br)c2)nc1 ZINC000409095452 570126450 /nfs/dbraw/zinc/12/64/50/570126450.db2.gz HOQPTNYTHXGLQU-YPXUMCKCSA-N 0 1 484.703 6.541 40 30 JKEBMN Fc1ccccc1COc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1Br ZINC000409096935 570126978 /nfs/dbraw/zinc/12/69/78/570126978.db2.gz MPLZTHNLYNYNIE-YPXUMCKCSA-N 0 1 468.248 6.027 40 30 JKEBMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000409098826 570127710 /nfs/dbraw/zinc/12/77/10/570127710.db2.gz QNYJFYXRUSDQKB-BRJLIKDPSA-N 0 1 460.368 5.547 40 30 JKEBMN Fc1ccc(COc2c(Cl)cc(CN=Nc3ccc(C(F)(F)F)cn3)cc2Cl)cc1 ZINC000409100458 570128148 /nfs/dbraw/zinc/12/81/48/570128148.db2.gz NOMRVIOWBVTLCW-HIUVJMHLSA-N 0 1 458.242 6.571 40 30 JKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409100834 570128449 /nfs/dbraw/zinc/12/84/49/570128449.db2.gz VICHTEDFIZNOFK-KIBLKLHPSA-N 0 1 477.355 5.164 40 30 JKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000409101033 570128463 /nfs/dbraw/zinc/12/84/63/570128463.db2.gz OTCXZXOVVMNZEK-IPBVOBEMSA-N 0 1 497.832 6.440 40 30 JKEBMN C=CCOc1c(I)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1OCC ZINC000409101725 570128688 /nfs/dbraw/zinc/12/86/88/570128688.db2.gz XMWKGSZOMUAROV-YSURURNPSA-N 0 1 491.251 5.115 40 30 JKEBMN N#Cc1ccccc1COc1c(Cl)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000409101927 570128718 /nfs/dbraw/zinc/12/87/18/570128718.db2.gz BXTDOTHGXRMAFS-VYVUJPJFSA-N 0 1 465.262 6.304 40 30 JKEBMN O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2C=NNc2ccc(C(F)(F)F)cn2)cc1 ZINC000409102942 570129100 /nfs/dbraw/zinc/12/91/00/570129100.db2.gz UUIIHOQUFLIPBT-IPPBACCNSA-N 0 1 466.419 6.187 40 30 JKEBMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1cc(Cl)cc(I)c1O ZINC000409104263 570129510 /nfs/dbraw/zinc/12/95/10/570129510.db2.gz CCWJVZNITWFRNP-CGOBSMCZSA-N 0 1 485.587 5.023 40 30 JKEBMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1cc(Br)c(Br)o1 ZINC000409106261 570130315 /nfs/dbraw/zinc/13/03/15/570130315.db2.gz MZOJXKBPXCTPEC-BLLMUTORSA-N 0 1 457.000 5.178 40 30 JKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Br)c1OC(C)C ZINC000409107211 570130696 /nfs/dbraw/zinc/13/06/96/570130696.db2.gz QBMCOZHZXAKNOX-YSURURNPSA-N 0 1 490.276 6.008 40 30 JKEBMN CC[C@@H](C)Oc1c(Br)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000409107734 570130818 /nfs/dbraw/zinc/13/08/18/570130818.db2.gz UFCHTHSJIXWFNY-BPDROILWSA-N 0 1 490.276 6.008 40 30 JKEBMN O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)c(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409117662 570134565 /nfs/dbraw/zinc/13/45/65/570134565.db2.gz LVJLUBXFXMPDMX-SRZZPIQSSA-N 0 1 473.854 5.662 40 30 JKEBMN C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)cc1 ZINC000409124779 570137301 /nfs/dbraw/zinc/13/73/01/570137301.db2.gz CNNRSZZNUDAUGB-LFVJCYFKSA-N 0 1 485.609 5.107 40 30 JKEBMN COc1ccc2ccc(OC)c(CC3S/C(=N/c4ccc(Br)cc4)N(C)C3=O)c2c1 ZINC000409146709 570147282 /nfs/dbraw/zinc/14/72/82/570147282.db2.gz SQHDSMZAHVMOJH-KZKMBZSSSA-N 0 1 485.403 5.424 40 30 JKEBMN CCOc1ccc(/N=C2/SC(Cc3cc(OC)c(OCC)cc3Cl)C(=O)N2CC)cc1 ZINC000409148019 570147899 /nfs/dbraw/zinc/14/78/99/570147899.db2.gz XTNHMMMYGRBSHK-CQGYNDIISA-N 0 1 462.999 5.340 40 30 JKEBMN CCOc1ccc(/N=C2/SC(Cc3ccccc3OCc3ccccc3C#N)C(=O)N2CC)cc1 ZINC000409149527 570148667 /nfs/dbraw/zinc/14/86/67/570148667.db2.gz JCKMQOXLSMEVKL-UAEDJDKWSA-N 0 1 485.609 5.730 40 30 JKEBMN Brc1ccc(COc2ccc(/C=N\C3CCCCC3)cc2)c(Br)c1 ZINC000409187691 570160940 /nfs/dbraw/zinc/16/09/40/570160940.db2.gz TWUOGEGZKDNJCX-QRVIBDJDSA-N 0 1 451.202 6.542 40 30 JKEBMN N#Cc1c2c(sc1N=Cc1ccc(Sc3nc(-c4ccccc4)n[nH]3)c([N+](=O)[O-])c1)CCCC2 ZINC000409190427 570161745 /nfs/dbraw/zinc/16/17/45/570161745.db2.gz MYSGZIFUNOLKCI-VULFUBBASA-N 0 1 486.582 6.094 40 30 JKEBMN CC(C)/N=C1\S/C(=C/c2cc(Br)cc(Br)c2O)C(=O)N1C(C)C ZINC000409216018 570172460 /nfs/dbraw/zinc/17/24/60/570172460.db2.gz DARHBTLDDKOQHW-GEHGQZCVSA-N 0 1 462.207 5.006 40 30 JKEBMN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Cl)cc(Br)c2O)S1 ZINC000409240933 570181883 /nfs/dbraw/zinc/18/18/83/570181883.db2.gz MFRPYPKQTOWACI-MKMNVTDBSA-N 0 1 458.164 5.662 40 30 JKEBMN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cc(Br)cc(Cl)c2O)S1 ZINC000409244874 570183659 /nfs/dbraw/zinc/18/36/59/570183659.db2.gz JXYAQAXSXCQIDX-NSIKDUERSA-N 0 1 458.164 5.662 40 30 JKEBMN CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000408531947 570188298 /nfs/dbraw/zinc/18/82/98/570188298.db2.gz MXBFAQYPZOZBSD-WTTGCPTKSA-N 0 1 489.553 6.125 40 30 JKEBMN Cc1[nH]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1sc2c(c1C#N)CCCC2 ZINC000408534246 570189334 /nfs/dbraw/zinc/18/93/34/570189334.db2.gz PWBMFOVMPVIYTA-BOPFTXTBSA-N 0 1 455.381 5.288 40 30 JKEBMN CCOc1cc(C=C2CCCCC(C(=O)C(F)(F)F)C2=O)cc(I)c1O ZINC000408562739 570201902 /nfs/dbraw/zinc/20/19/02/570201902.db2.gz BAJBTGMADSJRGL-SFXQBQATSA-N 0 1 482.236 5.296 40 30 JKEBMN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc(-c4ccccn4)n[nH]3)sc2C1 ZINC000408582723 570207100 /nfs/dbraw/zinc/20/71/00/570207100.db2.gz POLPLNQYOYKQJX-AWEZNQCLSA-N 0 1 466.636 5.072 40 30 JKEBMN CCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(F)c1 ZINC000059102823 195387504 /nfs/dbraw/zinc/38/75/04/195387504.db2.gz QUZGSIPJHDETOP-HHHXNRCGSA-N 0 1 495.635 7.334 40 30 JKEBMN CCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(O)c1 ZINC000059102914 195387695 /nfs/dbraw/zinc/38/76/95/195387695.db2.gz UMPBTSNVVCQKPN-HHHXNRCGSA-N 0 1 493.644 6.900 40 30 JKEBMN C=CCc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc(F)c1 ZINC000059136330 195391380 /nfs/dbraw/zinc/39/13/80/195391380.db2.gz OTQGNSXZBMDIAJ-RCCKNPSSSA-N 0 1 490.531 5.944 40 30 JKEBMN C=CCc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCC ZINC000059136369 195391744 /nfs/dbraw/zinc/39/17/44/195391744.db2.gz HYFKYMTZGNFOID-RVDMUPIBSA-N 0 1 489.366 5.387 40 30 JKEBMN O=C(Oc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1)c1ccccc1Br ZINC000059194484 195394166 /nfs/dbraw/zinc/39/41/66/195394166.db2.gz YVMOIWLNBUVBMA-YDZHTSKRSA-N 0 1 452.333 5.724 40 30 JKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000059194459 195394210 /nfs/dbraw/zinc/39/42/10/195394210.db2.gz RVDWEDGPPHEOEZ-OGLMXYFKSA-N 0 1 473.598 6.658 40 30 JKEBMN CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000059194459 195394211 /nfs/dbraw/zinc/39/42/11/195394211.db2.gz RVDWEDGPPHEOEZ-OGLMXYFKSA-N 0 1 473.598 6.658 40 30 JKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000059194445 195394360 /nfs/dbraw/zinc/39/43/60/195394360.db2.gz APIAAPCECMYXCC-LGJNPRDNSA-N 0 1 486.380 6.667 40 30 JKEBMN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3cc(Br)cc(Br)c3O)S2)c1 ZINC000059459424 195403002 /nfs/dbraw/zinc/40/30/02/195403002.db2.gz CAFZSEHENUZSSZ-CHHVJCJISA-N 0 1 482.197 5.426 40 30 JKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1O ZINC000003035807 520786979 /nfs/dbraw/zinc/78/69/79/520786979.db2.gz LCSYOOYIAASGOM-OPEKNORGSA-N 0 1 472.284 6.565 40 30 JKEBMN COc1cc(Br)cc(/C=N/c2ccc(-c3nc4ccccc4s3)c(O)c2)c1O ZINC000016194959 522026205 /nfs/dbraw/zinc/02/62/05/522026205.db2.gz WMDZAWGEUNFVDH-FOKLQQMPSA-N 0 1 455.333 5.896 40 30 JKEBMN COc1cc(Br)cc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)c1O ZINC000012462625 522027202 /nfs/dbraw/zinc/02/72/02/522027202.db2.gz ZZRHBNAOQBUWSL-BHGWPJFGSA-N 0 1 453.292 5.736 40 30 JKEBMN COc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1Br ZINC000016226565 523467094 /nfs/dbraw/zinc/46/70/94/523467094.db2.gz OZJGVVFONIJLJC-CNHKJKLMSA-N 0 1 463.951 5.439 40 30 JKEBMN COc1ccc(Br)cc1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000012468247 523491074 /nfs/dbraw/zinc/49/10/74/523491074.db2.gz WNEPDZYDHJVUAB-PKAZHMFMSA-N 0 1 462.391 5.179 40 30 JKEBMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(C[C@@H]4CCCO4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000016741614 524975983 /nfs/dbraw/zinc/97/59/83/524975983.db2.gz MTIZIQGOPPLCMG-QOKIKDITSA-N 0 1 475.585 5.065 40 30 JKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3[nH]2)c(C)n1-c1ccc(I)cc1 ZINC000021548912 526096212 /nfs/dbraw/zinc/09/62/12/526096212.db2.gz MQJBKSCYCOBRNH-WSDLNYQXSA-N 0 1 455.303 5.021 40 30 JKEBMN Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000032115215 526324606 /nfs/dbraw/zinc/32/46/06/526324606.db2.gz ZMALSNXRFNCMAL-MWRNPHMMSA-N 0 1 498.110 7.299 40 30 JKEBMN Oc1ccc(/N=C/c2ccc(-c3cccc(Br)c3)o2)cc1-c1nc2ccccc2s1 ZINC000003211260 526341941 /nfs/dbraw/zinc/34/19/41/526341941.db2.gz IBWPOHOEHSDDDR-VULFUBBASA-N 0 1 475.367 7.442 40 30 JKEBMN Clc1ccc(-c2ccc(C=NN=c3nc(Nc4ccccc4)[nH]c(N4CCCCC4)n3)o2)cc1 ZINC000016490568 526932968 /nfs/dbraw/zinc/93/29/68/526932968.db2.gz WAKGUYGRUHVALM-PKAZHMFMSA-N 0 1 473.968 5.965 40 30 JKEBMN O=C1c2ccccc2-c2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc21 ZINC000011566408 527127170 /nfs/dbraw/zinc/12/71/70/527127170.db2.gz ZMOOHCKCVFFPFQ-AUEPDCJTSA-N 0 1 457.121 5.879 40 30 JKEBMN O=c1oc2ccccc2cc1-c1ccc(/N=C/c2cc(Cl)cc(Br)c2O)cc1 ZINC000003140556 527499661 /nfs/dbraw/zinc/49/96/61/527499661.db2.gz XDVPUTBGTDPXOV-BRJLIKDPSA-N 0 1 454.707 6.332 40 30 JKEBMN COc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3o2)cc1Br ZINC000002071389 554022123 /nfs/dbraw/zinc/02/21/23/554022123.db2.gz GYQFPEZHRULFQQ-KIBLKLHPSA-N 0 1 492.156 7.029 40 30 JKEBMN CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C ZINC000008219063 554564358 /nfs/dbraw/zinc/56/43/58/554564358.db2.gz ASWBNKHCZGQVJV-QHCPKHFHSA-O 0 1 496.646 5.212 40 30 biogenic,in-vitro JKEBMN CCCCCCCCCCCCCCCCOC[C@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C ZINC000008437616 554588387 /nfs/dbraw/zinc/58/83/87/554588387.db2.gz VLBPIWYTPAXCFJ-DEOSSOPVSA-O 0 1 482.663 5.685 40 30 in-vitro JKEBMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000008892362 554780591 /nfs/dbraw/zinc/78/05/91/554780591.db2.gz YVICCNKTZRYYPY-QFIPXVFZSA-N 0 1 462.889 5.069 40 30 JKEBMN Oc1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000013371235 555392023 /nfs/dbraw/zinc/39/20/23/555392023.db2.gz MILGSYZECZAWSZ-RPPGKUMJSA-N 0 1 474.800 7.589 40 30 JKEBMN Oc1c(Br)cc(Br)cc1CN=Nc1ncnc2sc3c(c21)CCCC3 ZINC000013477077 555403185 /nfs/dbraw/zinc/40/31/85/555403185.db2.gz WFYVRHKTDQLOLB-QPJQQBGISA-N 0 1 482.201 5.247 40 30 JKEBMN Cc1cc(NN=Cc2cc(Br)ccc2O)nc(-c2ccc(Br)cc2)n1 ZINC000013563082 555498145 /nfs/dbraw/zinc/49/81/45/555498145.db2.gz VXPXPEPOZLQDDA-UFFVCSGVSA-N 0 1 462.145 5.129 40 30 JKEBMN COc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1OC ZINC000014163709 555717145 /nfs/dbraw/zinc/71/71/45/555717145.db2.gz HNVOVOJWXHDDJT-DLUDVSRJSA-N 0 1 463.965 5.797 40 30 JKEBMN O=[N+]([O-])c1ccc(COc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2Br)cc1 ZINC000014408446 555809152 /nfs/dbraw/zinc/80/91/52/555809152.db2.gz KTWVPTCBDPHAIE-FSJBWODESA-N 0 1 483.347 5.992 40 30 JKEBMN O=[N+]([O-])c1ccc(C=Nc2ccc(-c3nc4ccc(N=Cc5ccc([N+](=O)[O-])cc5)cc4[nH]3)cc2)cc1 ZINC000016400407 556137839 /nfs/dbraw/zinc/13/78/39/556137839.db2.gz DDZWTDOIQUXYOB-LPHFKDDMSA-N 0 1 490.479 6.548 40 30 JKEBMN CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(Br)c4O)cc3)nc2c1 ZINC000016610603 556146441 /nfs/dbraw/zinc/14/64/41/556146441.db2.gz AWXCUMAFADKZCQ-HWDKICEFSA-N 0 1 483.793 7.880 40 30 JKEBMN C=CCn1c2ccccc2nc1-c1ccc(C=Cc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000016982755 556195250 /nfs/dbraw/zinc/19/52/50/556195250.db2.gz XUANEUGIBQGMFI-VAWYXSNFSA-N 0 1 452.561 7.603 40 30 JKEBMN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccccc23)NC(=S)Nc2cccc(Cl)c2C)n1 ZINC000018077358 556284203 /nfs/dbraw/zinc/28/42/03/556284203.db2.gz UBRSTBPEFBBAFI-UHFFFAOYSA-N 0 1 492.052 5.534 40 30 JKEBMN Oc1c(Cl)cc(Cl)cc1/C=N\c1cc(C(F)(F)F)ccc1N1CCc2ccccc2C1 ZINC000018124911 556291627 /nfs/dbraw/zinc/29/16/27/556291627.db2.gz ZPHAICVFCDDZKO-ULPWCQAASA-N 0 1 465.302 7.031 40 30 JKEBMN Fc1ccc(C=Nn2c(=S)[nH]nc2-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1 ZINC000013115375 556322384 /nfs/dbraw/zinc/32/23/84/556322384.db2.gz RZPZNAYKINUTAJ-KIBLKLHPSA-N 0 1 466.851 5.487 40 30 JKEBMN CCCCCCCCCCC=C1C(=O)C(=Nc2ccccc2C)C=C(O)C1Nc1ccccc1C ZINC000085340938 560076148 /nfs/dbraw/zinc/07/61/48/560076148.db2.gz XPYRVYRHMHSOOU-KAKUTVRFSA-N 0 1 472.673 9.337 40 30 biogenic,in-vitro JKEBMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000059109487 569602301 /nfs/dbraw/zinc/60/23/01/569602301.db2.gz CNVPDWZGPHQXKM-FYJGNVAPSA-N 0 1 484.581 5.408 40 30 JKEBMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000059109488 569602343 /nfs/dbraw/zinc/60/23/43/569602343.db2.gz WFHDENVCRKNKDK-RGVLZGJSSA-N 0 1 458.543 5.146 40 30 JKEBMN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2cc(Br)cc(Br)c2O)S1 ZINC000059459376 569604076 /nfs/dbraw/zinc/60/40/76/569604076.db2.gz BRSCJYLBDKJPMN-AUWJEWJLSA-N 0 1 468.170 5.117 40 30 JKEBMN O=C(CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2s1)NC[C@H]1CCCO1 ZINC000059474840 569604603 /nfs/dbraw/zinc/60/46/03/569604603.db2.gz HQVWQCJJDQUAOQ-ZKWOTWPISA-N 0 1 496.441 5.447 40 30 JKEBMN COc1ccc(CCN2C(=O)C(=O)C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000033541351 569627684 /nfs/dbraw/zinc/62/76/84/569627684.db2.gz VQVONGWZSWSAOT-VWLOTQADSA-N 0 1 491.609 5.710 40 30 JKEBMN Cc1c(C=NNc2nc3ccccc3s2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000034759621 569657528 /nfs/dbraw/zinc/65/75/28/569657528.db2.gz UFQKQZQHKUUILG-UVHMKAGCSA-N 0 1 465.409 7.361 40 30 JKEBMN COc1ccc(CCN2C(=O)C(=O)C(C(=O)C=Cc3ccccc3)[C@H]2c2cccc(F)c2)cc1OC ZINC000035147228 569676030 /nfs/dbraw/zinc/67/60/30/569676030.db2.gz MQAZUIVICOAAOW-RVSJASMMSA-N 0 1 487.527 5.064 40 30 JKEBMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000035147487 569676058 /nfs/dbraw/zinc/67/60/58/569676058.db2.gz BYOAZLFJNDXOMD-VWLOTQADSA-N 0 1 481.508 5.206 40 30 JKEBMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(O)cc2)cc1 ZINC000035147536 569676099 /nfs/dbraw/zinc/67/60/99/569676099.db2.gz YQNOAUMOVIBNLJ-AREMUKBSSA-N 0 1 482.536 5.093 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4cccs4)[C@@H]3c3ccc(C)cc3)c2c1 ZINC000035164176 569676448 /nfs/dbraw/zinc/67/64/48/569676448.db2.gz FOMBJJPHGKOOBX-DEOSSOPVSA-N 0 1 472.566 5.367 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)C=Cc4ccccc4)[C@H]3c3cccc(F)c3)c2c1 ZINC000035164078 569676467 /nfs/dbraw/zinc/67/64/67/569676467.db2.gz WRLKEMBMQJZRDU-OXIVNLASSA-N 0 1 496.538 5.536 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)Cc4ccccc4)[C@H]3c3cccc(F)c3)c2c1 ZINC000035164298 569676543 /nfs/dbraw/zinc/67/65/43/569676543.db2.gz GHPKKPWXJBOFJA-HHHXNRCGSA-N 0 1 484.527 5.066 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccccc4)[C@H]3c3cccc(F)c3)c2c1 ZINC000035164891 569676767 /nfs/dbraw/zinc/67/67/67/569676767.db2.gz HYMMLURWVLFACQ-RUZDIDTESA-N 0 1 470.500 5.137 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccccc4)[C@@H]3c3ccccc3OC)c2c1 ZINC000035164864 569676853 /nfs/dbraw/zinc/67/68/53/569676853.db2.gz JAJPJDJDNOEYKF-SANMLTNESA-N 0 1 482.536 5.006 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccccc3OC)c2c1 ZINC000035164976 569676915 /nfs/dbraw/zinc/67/69/15/569676915.db2.gz SBDZAEDQTKXMEI-MHZLTWQESA-N 0 1 496.563 5.315 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(F)c3)c2c1 ZINC000035165006 569676945 /nfs/dbraw/zinc/67/69/45/569676945.db2.gz KGEFXKCNTQCUTK-AREMUKBSSA-N 0 1 484.527 5.445 40 30 JKEBMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccc(OC)cc34)[C@H]2c2ccccc2)cc1 ZINC000035165403 569677116 /nfs/dbraw/zinc/67/71/16/569677116.db2.gz SIPSGPUNCLIGGW-MHZLTWQESA-N 0 1 496.563 5.396 40 30 JKEBMN CCCCCCCCCCCCCCCC(=O)SCCO[P@](=O)([O-])OCC[N+](C)(C)C ZINC000085564300 569711036 /nfs/dbraw/zinc/71/10/36/569711036.db2.gz BDPQVGIMLZYZQA-UHFFFAOYSA-O 0 1 482.688 6.567 40 30 in-vitro JKEBMN Oc1c(I)cc(Br)cc1/C=N/c1ccc(Br)cc1 ZINC000100184247 569754897 /nfs/dbraw/zinc/75/48/97/569754897.db2.gz XOFPBBFNPNVQNK-REZTVBANSA-N 0 1 480.925 5.272 40 30 JKEBMN CCOC(=O)c1ccccc1Oc1ccc(C(F)(F)F)cc1/N=C/c1cccc(Cl)c1O ZINC000100209587 569755406 /nfs/dbraw/zinc/75/54/06/569755406.db2.gz JPHYTTNMKVVVOC-XODNFHPESA-N 0 1 463.839 6.784 40 30 JKEBMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000100556912 569764480 /nfs/dbraw/zinc/76/44/80/569764480.db2.gz FUEPIRKBOKHUFN-AGHKFTSRSA-N 0 1 460.515 5.068 40 30 JKEBMN COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000101491105 569799820 /nfs/dbraw/zinc/79/98/20/569799820.db2.gz JTBGSPUEJBIUGL-IKMQVZDESA-N 0 1 475.526 5.422 40 30 JKEBMN CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Br)c4O)c3)nc2c1 ZINC000038180011 569800193 /nfs/dbraw/zinc/80/01/93/569800193.db2.gz HNEDAJQIZAEMII-ZKJHFGPLSA-N 0 1 483.793 7.880 40 30 JKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)c1O ZINC000038180024 569800197 /nfs/dbraw/zinc/80/01/97/569800197.db2.gz WZBNSUXWPWLWBV-WJGWSCHNSA-N 0 1 459.502 6.771 40 30 JKEBMN Brc1ccc(N=NC(N=Nc2ccccc2)c2ccc(C=NNc3ccccc3)cc2)cc1 ZINC000104079473 569840575 /nfs/dbraw/zinc/84/05/75/569840575.db2.gz AUADFXAHIJUUST-WPNDAIHRSA-N 0 1 497.400 7.453 40 30 JKEBMN O=S(=O)(Nc1cc(Cl)c(Cl)cc1/N=C\c1cc(Cl)ccc1O)c1ccccc1 ZINC000104115997 569841052 /nfs/dbraw/zinc/84/10/52/569841052.db2.gz AVWLMTSMRYWYTD-KSEXSDGBSA-N 0 1 455.750 5.904 40 30 JKEBMN O=S(=O)(Nc1ccccn1)c1ccc(/N=C\c2c3ccccc3nc3cc(Cl)ccc32)cc1 ZINC000104268898 569844351 /nfs/dbraw/zinc/84/43/51/569844351.db2.gz PTHHGKSYDGZMKY-NTFVMDSBSA-N 0 1 472.957 5.988 40 30 JKEBMN Cc1cc(Cl)c(O)c(/C=N/c2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1 ZINC000109503038 569860550 /nfs/dbraw/zinc/86/05/50/569860550.db2.gz VMDWEPMCTJQURU-YSURURNPSA-N 0 1 457.711 6.381 40 30 JKEBMN COc1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1O ZINC000109502594 569860570 /nfs/dbraw/zinc/86/05/70/569860570.db2.gz GHBPYIUMCAEYJC-YSURURNPSA-N 0 1 473.710 6.081 40 30 JKEBMN Cc1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1O ZINC000109503009 569860598 /nfs/dbraw/zinc/86/05/98/569860598.db2.gz QTRYFBMMDHHSDM-YSURURNPSA-N 0 1 457.711 6.381 40 30 JKEBMN C=CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000408624073 569979533 /nfs/dbraw/zinc/97/95/33/569979533.db2.gz FFLKGFUGIPZKNK-UHFFFAOYSA-N 0 1 456.951 5.266 40 30 JKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3n2C)c(C)n1-c1ccccc1I ZINC000408662257 570001606 /nfs/dbraw/zinc/00/16/06/570001606.db2.gz RDXLBOGJJPDINC-YDZHTSKRSA-N 0 1 469.330 5.031 40 30 JKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccc(I)cc2)c1C ZINC000408692828 570015559 /nfs/dbraw/zinc/01/55/59/570015559.db2.gz WIDGMOURFSJUSI-ZVHZXABRSA-N 0 1 483.357 5.514 40 30 JKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccccc2I)c1C ZINC000408692943 570015759 /nfs/dbraw/zinc/01/57/59/570015759.db2.gz YYADQPYEBAJPRG-ZVHZXABRSA-N 0 1 483.357 5.514 40 30 JKEBMN C=CCc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000408695745 570018109 /nfs/dbraw/zinc/01/81/09/570018109.db2.gz YCXMUIPICCHVGT-LFVJCYFKSA-N 0 1 488.584 5.106 40 30 JKEBMN Cc1nc2sc3c(c2c(=O)n1/N=C/c1c(O)c(Br)cc2ccccc21)CCCC3 ZINC000408719617 570026312 /nfs/dbraw/zinc/02/63/12/570026312.db2.gz ZTOAMOYSOJGWQP-BHGWPJFGSA-N 0 1 468.376 5.149 40 30 JKEBMN CNCc1cc(C)nc(Sc2nc3ccc(NC(=O)c4ccc(C)cc4)cc3s2)c1C#N ZINC000408749148 570033477 /nfs/dbraw/zinc/03/34/77/570033477.db2.gz DTZLHZLPQUNNRJ-UHFFFAOYSA-N 0 1 459.600 5.303 40 30 JKEBMN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(Br)cc(Br)c2O)S1 ZINC000408844321 570054246 /nfs/dbraw/zinc/05/42/46/570054246.db2.gz HYDQHTDZDNCONI-CHHVJCJISA-N 0 1 498.196 5.126 40 30 JKEBMN CCOc1cc(CN=Nc2ccc3ccccc3n2)c(Br)cc1OCc1ccccc1 ZINC000408859463 570057103 /nfs/dbraw/zinc/05/71/03/570057103.db2.gz ULNOHKHOENFYOO-JVWAILMASA-N 0 1 476.374 6.421 40 30 JKEBMN CCOc1cc(CN=Nc2ccccn2)c(Br)cc1OCc1ccccc1Cl ZINC000408859720 570057179 /nfs/dbraw/zinc/05/71/79/570057179.db2.gz YMRSEIUJOHCWSE-MXAYSNPKSA-N 0 1 460.759 5.921 40 30 JKEBMN COc1cc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc([N+](=O)[O-])c1O ZINC000408876071 570061366 /nfs/dbraw/zinc/06/13/66/570061366.db2.gz MMDSPDUWZSQXBZ-VDJWSQCXSA-N 0 1 471.510 5.385 40 30 JKEBMN CCCN1C(=O)/C(=C\c2cc(Br)cc(Br)c2O)S/C1=N\c1ccccc1 ZINC000408905719 570070595 /nfs/dbraw/zinc/07/05/95/570070595.db2.gz CWISWRGLYHBSOI-HDKKRFQTSA-N 0 1 496.224 5.931 40 30 JKEBMN COc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000408905708 570070613 /nfs/dbraw/zinc/07/06/13/570070613.db2.gz CSTLAVMIXMDPDU-MDIFQPDJSA-N 0 1 461.499 5.113 40 30 JKEBMN CC(C)N1C(=O)/C(=C\c2cc(Br)cc(Br)c2O)S/C1=N\c1ccccc1 ZINC000408906762 570070934 /nfs/dbraw/zinc/07/09/34/570070934.db2.gz KCMDFLORJBOMGZ-ZUJMPGSOSA-N 0 1 496.224 5.930 40 30 JKEBMN CCOC(=O)c1c2c(sc1-n1c(C)cc(CN=Nc3ccc([N+](=O)[O-])cc3)c1C)CCCC2 ZINC000408909277 570071770 /nfs/dbraw/zinc/07/17/70/570071770.db2.gz GDUBOPSPRMHADF-QFEZKATASA-N 0 1 466.563 5.565 40 30 JKEBMN COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000408911971 570073236 /nfs/dbraw/zinc/07/32/36/570073236.db2.gz LGMCWSYLWUOVKU-BVGVAWRYSA-N 0 1 489.553 5.464 40 30 JKEBMN CCc1ccccc1/N=C1\S/C(=C/c2cc(Br)cc(Br)c2O)C(=O)N1C ZINC000408913409 570074010 /nfs/dbraw/zinc/07/40/10/570074010.db2.gz QPYMLVKGBRNVDC-ZUJMPGSOSA-N 0 1 496.224 5.713 40 30 JKEBMN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(O)c(Br)c3)cc1)N2 ZINC000408943317 570083103 /nfs/dbraw/zinc/08/31/03/570083103.db2.gz RQMJNHLGUARUSD-LSSBKUKYSA-N 0 1 459.387 7.040 40 30 JKEBMN COc1c(Br)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Br ZINC000409065213 570116079 /nfs/dbraw/zinc/11/60/79/570116079.db2.gz IDRRKFRBEMOCRX-QPSGOUHRSA-N 0 1 497.065 5.593 40 30 JKEBMN Cc1ccc(-c2nc([N-][NH+]=Cc3ccc(N(C)C)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408977845 570090316 /nfs/dbraw/zinc/09/03/16/570090316.db2.gz YKJCNBRCKUFBOY-WGOQTCKBSA-N 0 1 457.559 6.206 40 30 JKEBMN C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 ZINC000409010930 570099590 /nfs/dbraw/zinc/09/95/90/570099590.db2.gz DTJDIXVHIVIWIW-PCLIKHOPSA-N 0 1 485.609 5.107 40 30 JKEBMN CCc1nc(C)cc(NCC(=O)[C@@H]2CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]23C)c1O ZINC000253504080 570102587 /nfs/dbraw/zinc/10/25/87/570102587.db2.gz QMKTXPISAYWCEZ-YOSIVSIISA-N 0 1 464.650 5.787 40 30 JKEBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000409023548 570103726 /nfs/dbraw/zinc/10/37/26/570103726.db2.gz YKNBIGLQYHWWON-WTFDWONZSA-N 0 1 462.619 5.431 40 30 JKEBMN C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccnc2ccc(OC)cc21 ZINC000253612078 570104735 /nfs/dbraw/zinc/10/47/35/570104735.db2.gz NSNOOXWSDJFPSY-FVWSQTCHSA-N 0 1 486.656 5.941 40 30 JKEBMN CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)c1O ZINC000254871253 570106427 /nfs/dbraw/zinc/10/64/27/570106427.db2.gz SBYMDMJEDONQOI-INIZCTEOSA-N 0 1 459.502 6.771 40 30 JKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409037707 570106879 /nfs/dbraw/zinc/10/68/79/570106879.db2.gz UISCMHGYZKADNF-LGJNPRDNSA-N 0 1 472.397 7.027 40 30 JKEBMN CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)cc(Cl)c2O)C2=C1CC(C)(C)CC2=O ZINC000409050276 570109807 /nfs/dbraw/zinc/10/98/07/570109807.db2.gz TYSYXPLFXVWTNS-UHFFFAOYSA-N 0 1 476.444 6.795 40 30 JKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(I)c1OC(C)C ZINC000409065248 570116071 /nfs/dbraw/zinc/11/60/71/570116071.db2.gz HARALNUNVIAKBB-PGGKNCGUSA-N 0 1 493.267 5.337 40 30 JKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409065042 570116081 /nfs/dbraw/zinc/11/60/81/570116081.db2.gz GURBLRGLJWVRBD-HIWRWHBISA-N 0 1 499.920 7.331 40 30 JKEBMN C#CCOc1c(Br)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC ZINC000409067489 570117052 /nfs/dbraw/zinc/11/70/52/570117052.db2.gz YHCGPWLGLQBGCZ-BHGWPJFGSA-N 0 1 486.244 5.233 40 30 JKEBMN C#CCOc1c(Br)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Br ZINC000409070477 570118066 /nfs/dbraw/zinc/11/80/66/570118066.db2.gz YGQHXVLZBHCAFF-LIMNOBDPSA-N 0 1 477.078 5.083 40 30 JKEBMN FC(F)(F)c1ccc(N=NCc2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)nc1 ZINC000409071419 570118410 /nfs/dbraw/zinc/11/84/10/570118410.db2.gz JXCPVZDXPOOJMJ-KLPHOBTLSA-N 0 1 490.312 7.585 40 30 JKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409071908 570118679 /nfs/dbraw/zinc/11/86/79/570118679.db2.gz SSMMCBIBZYVDBU-YPXUMCKCSA-N 0 1 480.830 5.696 40 30 JKEBMN O=[N+]([O-])c1cccc(COc2c(Cl)cc(CN=Nc3ccc(C(F)(F)F)cn3)cc2Cl)c1 ZINC000409073133 570119100 /nfs/dbraw/zinc/11/91/00/570119100.db2.gz XMWYTGXIPWENOM-OXUBWTJQSA-N 0 1 485.249 6.340 40 30 JKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409074047 570119277 /nfs/dbraw/zinc/11/92/77/570119277.db2.gz JVMBDKBNKSYPKD-VYVUJPJFSA-N 0 1 496.848 5.365 40 30 JKEBMN COc1cc(C=NNc2nc3ccccc3s2)c(Br)cc1OCc1ccccc1F ZINC000409078805 570120994 /nfs/dbraw/zinc/12/09/94/570120994.db2.gz DCLNOJGVUNSTCZ-ROTLSHHCSA-N 0 1 486.366 6.232 40 30 JKEBMN COc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc([N+](=O)[O-])c1O ZINC000409080105 570121305 /nfs/dbraw/zinc/12/13/05/570121305.db2.gz LEIJSIPUYOULEY-XQGMVTDFSA-N 0 1 461.927 5.222 40 30 JKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409094076 570125868 /nfs/dbraw/zinc/12/58/68/570125868.db2.gz CRHMDQGHFCJBFK-IPBVOBEMSA-N 0 1 494.857 6.086 40 30 JKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409093852 570125879 /nfs/dbraw/zinc/12/58/79/570125879.db2.gz AYFXAXVUHAGBFE-VPUKRXIYSA-N 0 1 492.885 5.534 40 30 JKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Br)c1OCc1cccc(F)c1 ZINC000409094726 570126086 /nfs/dbraw/zinc/12/60/86/570126086.db2.gz FOWDJEIGGZXYOG-ORBVJSQLSA-N 0 1 498.274 6.036 40 30 JKEBMN Fc1cccc(COc2ccc(Br)cc2C=NNc2ccc(C(F)(F)F)cn2)c1 ZINC000409096907 570126971 /nfs/dbraw/zinc/12/69/71/570126971.db2.gz LJKCSQXSWWXNMI-YPXUMCKCSA-N 0 1 468.248 6.027 40 30 JKEBMN Oc1c(I)cc(Br)cc1/C=N\c1cccc(Cl)c1Cl ZINC000409097175 570127131 /nfs/dbraw/zinc/12/71/31/570127131.db2.gz HTJMUJVNNDPBER-FXBPXSCXSA-N 0 1 470.919 5.817 40 30 JKEBMN Oc1c(I)cc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409099094 570127705 /nfs/dbraw/zinc/12/77/05/570127705.db2.gz RYGUTEBDVPIDQE-WSDLNYQXSA-N 0 1 494.126 6.302 40 30 JKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Br)c1OC ZINC000409098467 570127470 /nfs/dbraw/zinc/12/74/70/570127470.db2.gz QJZMUXKTKUPBFH-LSFURLLWSA-N 0 1 462.222 5.229 40 30 JKEBMN Oc1c(I)cc(Br)cc1/C=N\c1ccc(Cl)cc1Cl ZINC000409098805 570127567 /nfs/dbraw/zinc/12/75/67/570127567.db2.gz MAXPUEYPSXVPPA-FXBPXSCXSA-N 0 1 470.919 5.817 40 30 JKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(C)cc1 ZINC000409102691 570128914 /nfs/dbraw/zinc/12/89/14/570128914.db2.gz VXASJFWTUDZLGS-KVSWJAHQSA-N 0 1 493.869 6.609 40 30 JKEBMN Fc1cccc(COc2c(Cl)cc(CN=Nc3ccc(C(F)(F)F)cn3)cc2Cl)c1 ZINC000409102866 570128946 /nfs/dbraw/zinc/12/89/46/570128946.db2.gz FLIUVQRHQDGMOV-HIUVJMHLSA-N 0 1 458.242 6.571 40 30 JKEBMN FC(F)(F)c1ccc(NN=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)nc1 ZINC000409102483 570128961 /nfs/dbraw/zinc/12/89/61/570128961.db2.gz AHONLNAYAIHEKX-AMVVHIIESA-N 0 1 455.867 6.932 40 30 JKEBMN C=CCc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409103531 570129186 /nfs/dbraw/zinc/12/91/86/570129186.db2.gz AEUDXDHPCCPYLN-IBBHUPRXSA-N 0 1 469.507 6.561 40 30 JKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccccc1C#N ZINC000409105352 570129947 /nfs/dbraw/zinc/12/99/47/570129947.db2.gz IQBDTLIZVSYTBL-PNQUVVCRSA-N 0 1 474.870 6.049 40 30 JKEBMN CCOC(=O)COc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000409106110 570130253 /nfs/dbraw/zinc/13/02/53/570130253.db2.gz MJTQAKACQSDJEN-KTZMUZOWSA-N 0 1 480.226 5.308 40 30 JKEBMN CCOc1cc(Br)c(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000409106458 570130438 /nfs/dbraw/zinc/13/04/38/570130438.db2.gz RXWLXNHHPYTJDN-LSFURLLWSA-N 0 1 462.222 5.229 40 30 JKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 ZINC000409106672 570130451 /nfs/dbraw/zinc/13/04/51/570130451.db2.gz SHYWYUARFRFMHT-IPBVOBEMSA-N 0 1 497.832 6.440 40 30 JKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)nc1 ZINC000409107916 570130954 /nfs/dbraw/zinc/13/09/54/570130954.db2.gz YCLGHMRUMGVVMF-YPXUMCKCSA-N 0 1 484.703 6.541 40 30 JKEBMN Oc1c(I)cc(Br)cc1/C=N/c1ccc(F)c(Cl)c1 ZINC000409108982 570131367 /nfs/dbraw/zinc/13/13/67/570131367.db2.gz ZEZOURBJJHARMU-NGYBGAFCSA-N 0 1 454.464 5.302 40 30 JKEBMN Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409116701 570134394 /nfs/dbraw/zinc/13/43/94/570134394.db2.gz LLIFFJNDGIQQMO-CIAFOILYSA-N 0 1 453.436 5.317 40 30 JKEBMN O=C(COc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1Br)Nc1ccccc1 ZINC000409121995 570136263 /nfs/dbraw/zinc/13/62/63/570136263.db2.gz ZPDSFFIFPABFIN-LUOAPIJWSA-N 0 1 493.283 5.326 40 30 JKEBMN Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)cc(Br)c3O)S2)cc1 ZINC000408533874 570189226 /nfs/dbraw/zinc/18/92/26/570189226.db2.gz SRZPMHWWVPGHKP-AUWJEWJLSA-N 0 1 468.170 5.117 40 30 JKEBMN C#CCOc1c(Cl)cc(CC2S/C(=N/c3ccc(OCC)cc3)N(CCC)C2=O)cc1OC ZINC000409145931 570146859 /nfs/dbraw/zinc/14/68/59/570146859.db2.gz QUMUMMRNJZDORC-GOTSBPSXSA-N 0 1 487.021 5.344 40 30 JKEBMN N#Cc1c(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000409191003 570161890 /nfs/dbraw/zinc/16/18/90/570161890.db2.gz YCEVZBBRRRJRTD-UHFFFAOYSA-N 0 1 477.549 6.001 40 30 JKEBMN O=[N+]([O-])c1cc(C=Nc2ccc(O)cc2)ccc1Sc1nc(-c2ccc(Cl)cc2Cl)n[nH]1 ZINC000409196178 570163620 /nfs/dbraw/zinc/16/36/20/570163620.db2.gz XJPTZZIOKLTXPW-BHGWPJFGSA-N 0 1 486.340 6.294 40 30 JKEBMN CCN1C(=O)/C(=C/c2cc(Br)cc(Cl)c2O)S/C1=N/c1ccc(OC)cc1 ZINC000409238588 570180925 /nfs/dbraw/zinc/18/09/25/570180925.db2.gz LFWOSPBVXIAIBQ-YSHZOFOISA-N 0 1 467.772 5.441 40 30 JKEBMN Cc1[nH]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1sc2c(c1C#N)CCCC2 ZINC000408534873 570189663 /nfs/dbraw/zinc/18/96/63/570189663.db2.gz RONWNWPHBRAZNX-BOPFTXTBSA-N 0 1 455.381 5.288 40 30 JKEBMN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cc(O)ccc2[N+](=O)[O-])cc1C(C)C ZINC000409278122 570190272 /nfs/dbraw/zinc/19/02/72/570190272.db2.gz CXCZERKMLNRRJB-UHFFFAOYSA-N 0 1 486.528 5.390 40 30 JKEBMN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1O ZINC000409325130 570201932 /nfs/dbraw/zinc/20/19/32/570201932.db2.gz XIYLUZJCVRUZGB-UHFFFAOYSA-N 0 1 499.590 5.115 40 30 JKEBMN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc(-c4ccccc4)n[nH]3)sc2C1 ZINC000408580588 570206651 /nfs/dbraw/zinc/20/66/51/570206651.db2.gz CTNJKOZDKHGXDE-MRXNPFEDSA-N 0 1 465.648 5.677 40 30 JKEBMN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc(-c4ccco4)n[nH]3)sc2C1 ZINC000408581171 570206708 /nfs/dbraw/zinc/20/67/08/570206708.db2.gz HBAPNNCSZPPCPS-CYBMUJFWSA-N 0 1 455.609 5.270 40 30 JKEBMN N#Cc1c(NC(=O)CSc2nc(-c3ccccn3)n[nH]2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000408582440 570206933 /nfs/dbraw/zinc/20/69/33/570206933.db2.gz ODDJPTHBNGMNAV-UHFFFAOYSA-N 0 1 478.537 5.396 40 30 JKEBMN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc(-c4ccccn4)n[nH]3)sc2C1 ZINC000408582724 570207078 /nfs/dbraw/zinc/20/70/78/570207078.db2.gz POLPLNQYOYKQJX-CQSZACIVSA-N 0 1 466.636 5.072 40 30 JKEBMN O=C(Oc1ccc(/C=N/c2ccc(-c3nc4ccccc4s3)c(O)c2)cc1)c1ccc(Cl)cc1 ZINC000002941882 194175258 /nfs/dbraw/zinc/17/52/58/194175258.db2.gz QPXKDQIFRWFWSB-MUFRIFMGSA-N 0 1 484.964 7.292 40 30 JKEBMN Cc1ccc2nc(-c3ccc(C)c(/N=C/c4cc(Br)cc(Cl)c4O)c3)oc2c1 ZINC000003068840 194224086 /nfs/dbraw/zinc/22/40/86/194224086.db2.gz SWDAXMYLFJSWAS-OPEKNORGSA-N 0 1 455.739 6.984 40 30 JKEBMN COc1cc(C=Nn2c(=S)[nH]nc2-c2cccc(C)c2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000003347412 194294070 /nfs/dbraw/zinc/29/40/70/194294070.db2.gz PGTDTDRYITUIJU-IPPBACCNSA-N 0 1 498.530 6.405 40 30 JKEBMN CC1=CC(=O)[C@@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@@H](C)[C@H]1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000004266922 194386734 /nfs/dbraw/zinc/38/67/34/194386734.db2.gz OIEKVVDJPPURMU-TYZKDOIASA-N 0 1 488.709 6.392 40 30 JKEBMN N=C(C=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NOC(=O)C(Cl)=C(Cl)Cl ZINC000004277456 194387037 /nfs/dbraw/zinc/38/70/37/194387037.db2.gz FDDFINZVQSMYCF-OWOJBTEDSA-N 0 1 455.569 5.438 40 30 JKEBMN C=CCOc1c(CC=C)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC ZINC000059136409 195391634 /nfs/dbraw/zinc/39/16/34/195391634.db2.gz UPCIMVQPGMBDQV-NBVRZTHBSA-N 0 1 466.534 5.189 40 30 JKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000059194443 195394262 /nfs/dbraw/zinc/39/42/62/195394262.db2.gz YLURWQMNZAXGHK-BRJLIKDPSA-N 0 1 472.353 6.277 40 30 JKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccccc1Br ZINC000059194489 195394267 /nfs/dbraw/zinc/39/42/67/195394267.db2.gz KGAGERRKBTXXRX-AFUMVMLFSA-N 0 1 496.386 6.123 40 30 JKEBMN BrC(/C=N\N1CCN(C(c2ccccc2)c2ccccc2)CC1)=C\c1ccccc1 ZINC000016450783 518206912 /nfs/dbraw/zinc/20/69/12/518206912.db2.gz AUSBEOZKCOXIJT-QLOAUQENSA-N 0 1 460.419 5.815 40 30 JKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4c(F)c(F)c(F)c(F)c4F)nc3c2)c1O ZINC000016688215 520787885 /nfs/dbraw/zinc/78/78/85/520787885.db2.gz QFQCZBVPQBQIFY-YLKCYHHESA-N 0 1 493.344 5.953 40 30 JKEBMN CCOc1ccc(N=C2S[C@@H](CC(=O)c3ccccc3)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000009126603 520861242 /nfs/dbraw/zinc/86/12/42/520861242.db2.gz DSXVUFHVWUNIHP-DEVZUPFRSA-N 0 1 474.582 5.893 40 30 JKEBMN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2ccccc2)cc1 ZINC000009264257 523679760 /nfs/dbraw/zinc/67/97/60/523679760.db2.gz QOJRDPWSGANIPM-YKGWIAGDSA-N 0 1 490.559 6.503 40 30 JKEBMN Cc1cc(C)cc(-c2nc3cc(/N=C/c4cc(Cl)cc(Br)c4O)ccc3o2)c1 ZINC000003033635 524354338 /nfs/dbraw/zinc/35/43/38/524354338.db2.gz QUSBZWRVBKMVRW-OPEKNORGSA-N 0 1 455.739 6.984 40 30 JKEBMN COc1ccccc1NC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccccc1 ZINC000021355792 524611989 /nfs/dbraw/zinc/61/19/89/524611989.db2.gz SUONWHSEWHKNPZ-MHZLTWQESA-N 0 1 467.569 6.544 40 30 JKEBMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(C[C@@H]4CCCO4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000035520528 524976326 /nfs/dbraw/zinc/97/63/26/524976326.db2.gz MTIZIQGOPPLCMG-WVBBGBOVSA-N 0 1 475.585 5.065 40 30 JKEBMN Cc1c(Cl)c(C)c(/C=N/c2cccc(NC(=O)c3ccccc3Cl)c2)c(O)c1Br ZINC000003042731 525743091 /nfs/dbraw/zinc/74/30/91/525743091.db2.gz XEAIUKFWGKIJLM-KBKYJPHKSA-N 0 1 492.200 7.081 40 30 JKEBMN Cc1cc(/C=N/c2ccc(-c3nc4ccccc4s3)c(O)c2)c(O)c(Br)c1C ZINC000003087349 526095837 /nfs/dbraw/zinc/09/58/37/526095837.db2.gz BDCBQXZGIMCMJX-BHGWPJFGSA-N 0 1 453.361 6.504 40 30 JKEBMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000018066503 526268894 /nfs/dbraw/zinc/26/88/94/526268894.db2.gz WJFKZRYJIBQMLK-JOCHJYFZSA-N 0 1 462.889 5.069 40 30 JKEBMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000032115369 526323776 /nfs/dbraw/zinc/32/37/76/526323776.db2.gz GLGXVQVJOSOFRQ-MWRNPHMMSA-N 0 1 453.659 7.189 40 30 JKEBMN Oc1ccc(C=Nc2ccc(-c3nc4ccc(N=Cc5ccc(O)cc5O)cc4[nH]3)cc2)c(O)c1 ZINC000003144636 526339821 /nfs/dbraw/zinc/33/98/21/526339821.db2.gz OMLMQNIIJSKTTJ-RABJZLPGSA-N 0 1 464.481 5.554 40 30 JKEBMN Oc1ccc(I)cc1C=Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000015134757 526350730 /nfs/dbraw/zinc/35/07/30/526350730.db2.gz CTYKZCXTWQVJTR-FOKLQQMPSA-N 0 1 457.246 5.430 40 30 JKEBMN O=C(CSc1n[n-]c(N=[NH+]C=CCc2ccccc2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020508620 527049262 /nfs/dbraw/zinc/04/92/62/527049262.db2.gz JVPVJYGMGLURIQ-NMBKOFFWSA-N 0 1 480.903 5.319 40 30 JKEBMN O=C(Nc1cccc(/N=C/c2cc(Cl)cc(Br)c2O)c1)c1ccccc1Cl ZINC000003140491 527324100 /nfs/dbraw/zinc/32/41/00/527324100.db2.gz OYHAURJUYTXXTC-BHGWPJFGSA-N 0 1 464.146 6.464 40 30 JKEBMN O=[N+]([O-])c1ccc(NCCC/N=C/c2cc(Br)cc(Br)c2O)c(Cl)c1 ZINC000016385803 527364332 /nfs/dbraw/zinc/36/43/32/527364332.db2.gz HJMBETHRYACLNW-AWQFTUOYSA-N 0 1 491.567 5.400 40 30 JKEBMN Oc1ccccc1-c1nc(NN=Cc2c(F)c(F)c(F)c(F)c2F)cc(-c2ccccc2)n1 ZINC000008398831 554573735 /nfs/dbraw/zinc/57/37/35/554573735.db2.gz XLVNOPKXWPXOMA-VPUKRXIYSA-N 0 1 456.374 5.658 40 30 JKEBMN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc(-c4ccccc4Cl)n[nH]3)sc2C1 ZINC000019928159 555543159 /nfs/dbraw/zinc/54/31/59/555543159.db2.gz VQIOAODPRQSRNG-ZDUSSCGKSA-N 0 1 486.066 5.940 40 30 JKEBMN CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CCN(Cc3ccccc3)Cc3ccccc3)CC[C@@H]21 ZINC000020111566 555648274 /nfs/dbraw/zinc/64/82/74/555648274.db2.gz FICLHMZQURYKDA-JGICCPCNSA-N 0 1 465.637 6.790 40 30 JKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccc(Br)cc1 ZINC000014407589 555808526 /nfs/dbraw/zinc/80/85/26/555808526.db2.gz MNRIVLMBHBHMJM-AFUMVMLFSA-N 0 1 482.403 6.483 40 30 JKEBMN CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1ccc(Br)cc1 ZINC000014407589 555808529 /nfs/dbraw/zinc/80/85/29/555808529.db2.gz MNRIVLMBHBHMJM-AFUMVMLFSA-N 0 1 482.403 6.483 40 30 JKEBMN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccccc23)NC(=S)Nc2ccc(C)c(Cl)c2)n1 ZINC000014730365 555839228 /nfs/dbraw/zinc/83/92/28/555839228.db2.gz LANNMWLWHYHXCL-UHFFFAOYSA-N 0 1 492.052 5.534 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4cccs4)[C@H]3c3ccccc3)c2c1 ZINC000015920358 556068208 /nfs/dbraw/zinc/06/82/08/556068208.db2.gz UZQGEZDFIMEELB-HSZRJFAPSA-N 0 1 458.539 5.059 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccn3)c2c1 ZINC000015920450 556068738 /nfs/dbraw/zinc/06/87/38/556068738.db2.gz IHGSFKXNCMAQRS-XMMPIXPASA-N 0 1 487.943 5.046 40 30 JKEBMN COc1ccc(CCNC(=O)c2ccccc2/N=C\c2cc(Cl)cc(Cl)c2O)cc1OC ZINC000017025263 556204613 /nfs/dbraw/zinc/20/46/13/556204613.db2.gz DNPRWWLTQVSJRB-MUXKCCDJSA-N 0 1 473.356 5.439 40 30 JKEBMN O=C(Oc1ccc(C=NNc2nc3ccccc3s2)c(OC(=O)c2ccco2)c1)c1ccco1 ZINC000025501144 556218336 /nfs/dbraw/zinc/21/83/36/556218336.db2.gz DSSXFLZXOLLKAN-AFUMVMLFSA-N 0 1 473.466 5.367 40 30 JKEBMN Cc1ccnc(NS(=O)(=O)c2ccc(/N=C/c3c4ccccc4nc4cc(Cl)ccc34)cc2)n1 ZINC000017175423 556232053 /nfs/dbraw/zinc/23/20/53/556232053.db2.gz BNTXZXFPFJCGLJ-RWPZCVJISA-N 0 1 487.972 5.691 40 30 JKEBMN COc1ccc(O)c(/C=N/c2cc(Cl)c(Cl)cc2NS(=O)(=O)c2ccccc2)c1 ZINC000017722461 556264594 /nfs/dbraw/zinc/26/45/94/556264594.db2.gz LSMCMEZYLSESIW-FSJBWODESA-N 0 1 451.331 5.259 40 30 JKEBMN C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000027586212 556300646 /nfs/dbraw/zinc/30/06/46/556300646.db2.gz SCRPRJCABHVYES-UHFFFAOYSA-N 0 1 499.662 6.345 40 30 JKEBMN O=[N+]([O-])c1ccc(C=Nn2c(-n3nc(C(F)(F)F)cc3-c3ccc(Cl)cc3)n[nH]c2=S)cc1 ZINC000013115373 556322435 /nfs/dbraw/zinc/32/24/35/556322435.db2.gz XWLVTPUGATXEIK-YSURURNPSA-N 0 1 493.858 5.256 40 30 JKEBMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000032112017 556420802 /nfs/dbraw/zinc/42/08/02/556420802.db2.gz QOWTZHQSCWNXLY-KVSWJAHQSA-N 0 1 467.739 8.064 40 30 JKEBMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1O ZINC000032114856 556421567 /nfs/dbraw/zinc/42/15/67/556421567.db2.gz CFBPCBDKZYWOBP-YCPBAFNGSA-N 0 1 459.792 5.799 40 30 JKEBMN Oc1c(Cl)cc(Br)cc1/C=N/c1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000032115449 556422673 /nfs/dbraw/zinc/42/26/73/556422673.db2.gz VALXQFCWJKXDNS-MWRNPHMMSA-N 0 1 498.110 7.299 40 30 JKEBMN Cn1nc(-c2ccc3ccccc3c2)cc1[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(C#N)c1 ZINC000012602816 565103158 /nfs/dbraw/zinc/10/31/58/565103158.db2.gz FQOPQKNVOLQCBM-RNJDCESWSA-N 0 1 490.611 5.111 40 30 biogenic,in-vitro JKEBMN Cc1ccc(-c2nc(N=NCc3cc(Cl)cc(Cl)c3O)sc2-c2ccccc2)cc1 ZINC000059484366 569605042 /nfs/dbraw/zinc/60/50/42/569605042.db2.gz ZMGKMMFSFXYRIG-LGJNPRDNSA-N 0 1 454.382 7.244 40 30 JKEBMN CC1(C)[C@H]2C[C@@H]1CCC2=CN=Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000033770012 569634197 /nfs/dbraw/zinc/63/41/97/569634197.db2.gz XKAUGVZGOJEIFA-SWZQZJFOSA-N 0 1 474.970 5.439 40 30 JKEBMN COc1ccc(CCN2C(=O)C(=O)C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1OC ZINC000035147225 569676045 /nfs/dbraw/zinc/67/60/45/569676045.db2.gz SQKLSYOVJOOTOH-OAJCAZATSA-N 0 1 487.527 5.064 40 30 JKEBMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(O)cc2)cc1 ZINC000035147538 569676154 /nfs/dbraw/zinc/67/61/54/569676154.db2.gz YQNOAUMOVIBNLJ-SANMLTNESA-N 0 1 482.536 5.093 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4cccc(OC)c4)[C@@H]3c3ccccc3)c2c1 ZINC000035163947 569676401 /nfs/dbraw/zinc/67/64/01/569676401.db2.gz CFIIYHPLZLGKEA-SANMLTNESA-N 0 1 482.536 5.006 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)C=Cc4ccccc4)[C@@H]3c3ccc(F)cc3)c2c1 ZINC000035164075 569676410 /nfs/dbraw/zinc/67/64/10/569676410.db2.gz PMNVDPFJAXSWJW-IUUBXHLCSA-N 0 1 496.538 5.536 40 30 JKEBMN CCc1ccc([C@@H]2C(C(=O)Cc3ccccc3)C(=O)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000035164306 569676562 /nfs/dbraw/zinc/67/65/62/569676562.db2.gz UZQBLUAPEJPUAO-GDLZYMKVSA-N 0 1 494.591 5.489 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccccc4)[C@H]3c3cccc(OC)c3)c2c1 ZINC000035164858 569676812 /nfs/dbraw/zinc/67/68/12/569676812.db2.gz CXAONEAFPABVMA-AREMUKBSSA-N 0 1 482.536 5.006 40 30 JKEBMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccc(OC)cc34)[C@@H]2c2ccccc2)cc1 ZINC000035165281 569676931 /nfs/dbraw/zinc/67/69/31/569676931.db2.gz VHIPXYMYYHJENG-AREMUKBSSA-N 0 1 482.536 5.006 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccs3)c2c1 ZINC000035165059 569676988 /nfs/dbraw/zinc/67/69/88/569676988.db2.gz AYAYADUMBAJTHG-DEOSSOPVSA-N 0 1 472.566 5.367 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(F)cc3)c2c1 ZINC000035165115 569677003 /nfs/dbraw/zinc/67/70/03/569677003.db2.gz HXEPDWMHINKSPA-RUZDIDTESA-N 0 1 488.490 5.276 40 30 JKEBMN CCCCCCCCCCCCCCCCNC(=S)SCC(=O)N(CCC#N)CCC#N ZINC000100934579 569776476 /nfs/dbraw/zinc/77/64/76/569776476.db2.gz CQNVSPURKRYDKI-UHFFFAOYSA-N 0 1 480.788 6.731 40 30 JKEBMN CCCCCCCCCCCCOc1ccc(C(CC)N=Nc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000100943458 569777007 /nfs/dbraw/zinc/77/70/07/569777007.db2.gz YNACSGMNAWUVQJ-PBBVDAKRSA-N 0 1 469.626 7.826 40 30 JKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N\c2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)c1O ZINC000100953478 569777751 /nfs/dbraw/zinc/77/77/51/569777751.db2.gz SBYMDMJEDONQOI-DGLVQCRBSA-N 0 1 459.502 6.771 40 30 JKEBMN Cc1ccc(N=C(Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c2ccccc2)cc1 ZINC000036615655 569778328 /nfs/dbraw/zinc/77/83/28/569778328.db2.gz ABINVVIORQORGI-UHFFFAOYSA-N 0 1 471.538 5.926 40 30 JKEBMN CCCCCCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101025339 569779774 /nfs/dbraw/zinc/77/97/74/569779774.db2.gz RLCGFGLESMXZQU-ULNSLHSMSA-N 0 1 498.623 6.477 40 30 JKEBMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1cc(Br)cc(Br)c1O ZINC000038160410 569799567 /nfs/dbraw/zinc/79/95/67/569799567.db2.gz KGACLERIPOCFMZ-CGOBSMCZSA-N 0 1 483.038 5.290 40 30 JKEBMN O=C1c2ccccc2C(=O)N1c1ccc(/N=C/c2cc(Br)cc(Cl)c2O)c(Cl)c1 ZINC000038162575 569799718 /nfs/dbraw/zinc/79/97/18/569799718.db2.gz PZYZFFXVPKAHMJ-KIBLKLHPSA-N 0 1 490.140 6.013 40 30 JKEBMN COc1ccc(O)c(/C=N\c2cc(Cl)c(Cl)cc2NS(=O)(=O)c2ccccc2)c1 ZINC000104116022 569841124 /nfs/dbraw/zinc/84/11/24/569841124.db2.gz LSMCMEZYLSESIW-FMCGGJTJSA-N 0 1 451.331 5.259 40 30 JKEBMN Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N(C)C)n2)o1 ZINC000107687541 569857019 /nfs/dbraw/zinc/85/70/19/569857019.db2.gz ZTNSQMMPGBTJIF-LGJNPRDNSA-N 0 1 490.499 5.051 40 30 JKEBMN Oc1ccc(-c2nc3cc(/N=C/c4cc(Br)ccc4O)ccc3o2)cc1Br ZINC000109502497 569860595 /nfs/dbraw/zinc/86/05/95/569860595.db2.gz DGVSSMOKCSOLDV-AUEPDCJTSA-N 0 1 488.135 6.182 40 30 JKEBMN C=CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000408615493 569974815 /nfs/dbraw/zinc/97/48/15/569974815.db2.gz AXLCAVZWGVKKFB-UHFFFAOYSA-N 0 1 470.978 5.575 40 30 JKEBMN C=CCSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)s1 ZINC000225621961 570010346 /nfs/dbraw/zinc/01/03/46/570010346.db2.gz JKLMHPAGRLLFIF-UHFFFAOYSA-N 0 1 495.051 5.140 40 30 JKEBMN CCOc1cc(CN=Nc2nc3ccccc3n2CC)ccc1OCc1ccc(Br)cc1 ZINC000408691982 570015222 /nfs/dbraw/zinc/01/52/22/570015222.db2.gz ALMKYYHYGXYSSE-JVWAILMASA-N 0 1 493.405 6.242 40 30 JKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000408692096 570015307 /nfs/dbraw/zinc/01/53/07/570015307.db2.gz DGVAKZDWSFLIRZ-CCVNUDIWSA-N 0 1 462.384 6.812 40 30 JKEBMN CCn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000408692354 570015428 /nfs/dbraw/zinc/01/54/28/570015428.db2.gz KPMLDZMWRWDBQU-WSDLNYQXSA-N 0 1 454.284 5.433 40 30 JKEBMN CCn1c2ccccc2nc1N=NCc1ccc(OCc2cccc3ccccc32)c(OC)c1 ZINC000408692621 570015545 /nfs/dbraw/zinc/01/55/45/570015545.db2.gz QWHYIJGZPDORCH-RDRPBHBLSA-N 0 1 450.542 6.243 40 30 JKEBMN CCn1c2ccccc2nc1N=NCc1ccc(OCc2ccccc2C#N)c(Br)c1 ZINC000408692910 570015613 /nfs/dbraw/zinc/01/56/13/570015613.db2.gz YFGRMEXDVQIGNK-JFLMPSFJSA-N 0 1 474.362 5.715 40 30 JKEBMN C=CCc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408694540 570017036 /nfs/dbraw/zinc/01/70/36/570017036.db2.gz JKSMKXZPVNAIQT-LFVJCYFKSA-N 0 1 488.584 5.106 40 30 JKEBMN Cc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCOC(C)C)cc1 ZINC000408702391 570022405 /nfs/dbraw/zinc/02/24/05/570022405.db2.gz BFXBKUCSSLQDFI-OAQYLSRUSA-N 0 1 472.379 5.151 40 30 JKEBMN CC(C)OCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000408702526 570022560 /nfs/dbraw/zinc/02/25/60/570022560.db2.gz HKZGHEKLJCGBFY-HXUWFJFHSA-N 0 1 492.797 5.496 40 30 JKEBMN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCOC(C)C)cc1 ZINC000408702595 570022619 /nfs/dbraw/zinc/02/26/19/570022619.db2.gz LCHIVVZXHVRCJK-QFIPXVFZSA-N 0 1 457.954 5.132 40 30 JKEBMN CCc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCOC(C)C)cc1 ZINC000408702976 570022957 /nfs/dbraw/zinc/02/29/57/570022957.db2.gz XTWULMJKLJXGSY-JOCHJYFZSA-N 0 1 486.406 5.405 40 30 JKEBMN Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N(C)C)n2)o1 ZINC000408721046 570026686 /nfs/dbraw/zinc/02/66/86/570026686.db2.gz IZDQXYKTRCHWHT-LGJNPRDNSA-N 0 1 490.499 5.051 40 30 JKEBMN Fc1ccc(COc2ccc(CN=Nc3ccc4ccccc4n3)cc2Br)cc1 ZINC000408738127 570031072 /nfs/dbraw/zinc/03/10/72/570031072.db2.gz PAUKFWLQAKPGKB-VULFUBBASA-N 0 1 450.311 6.161 40 30 JKEBMN CNCc1cc(C)nc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c1C#N ZINC000408749190 570033463 /nfs/dbraw/zinc/03/34/63/570033463.db2.gz FIOFKOQBABIMJG-UHFFFAOYSA-N 0 1 480.018 5.648 40 30 JKEBMN CNCc1cc(C)nc(Sc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)c1C#N ZINC000408751054 570034314 /nfs/dbraw/zinc/03/43/14/570034314.db2.gz VULOFBRZBJTVAU-UHFFFAOYSA-N 0 1 459.600 5.303 40 30 JKEBMN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)cc(Br)c3O)S2)cc1 ZINC000408763846 570037511 /nfs/dbraw/zinc/03/75/11/570037511.db2.gz PFAYWDOEKCRSFC-NVNXTCNLSA-N 0 1 482.197 5.371 40 30 JKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408780710 570041505 /nfs/dbraw/zinc/04/15/05/570041505.db2.gz ITLZDMOMOLSSLG-WSDLNYQXSA-N 0 1 474.302 5.361 40 30 JKEBMN CCOC(=O)c1c(Cl)c(C=[NH+][N-]c2ccc([N+](=O)[O-])cc2)oc1Nc1cccc(Cl)c1 ZINC000408812131 570049364 /nfs/dbraw/zinc/04/93/64/570049364.db2.gz NUHGKWQUJHKTHF-KSEXSDGBSA-N 0 1 463.277 5.861 40 30 JKEBMN CCOc1cc(CN=Nc2ccccn2)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408850678 570055453 /nfs/dbraw/zinc/05/54/53/570055453.db2.gz CHXIMWLLDNXEIW-MXAYSNPKSA-N 0 1 460.759 5.921 40 30 JKEBMN CCOc1cc(CN=Nc2ccc3ccccc3n2)c(Br)cc1OCc1ccc(F)cc1 ZINC000408858641 570056932 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/nfs/dbraw/zinc/07/32/99/570073299.db2.gz ORNKGRAIODMECG-NTFVMDSBSA-N 0 1 458.493 6.166 40 30 JKEBMN CCOc1cc(/C=C2\S/C(=N/c3ccc(N4CCCCC4)cc3)N(CC)C2=O)cc([N+](=O)[O-])c1O ZINC000408929523 570079427 /nfs/dbraw/zinc/07/94/27/570079427.db2.gz KOEDETMFYUBHRK-QRPQPOARSA-N 0 1 496.589 5.313 40 30 JKEBMN CCOc1cc([N+](=O)[O-])cc(/C=C2\S/C(=N/c3ccc(N4CCCCC4)cc3)N(CC)C2=O)c1O ZINC000408930181 570079583 /nfs/dbraw/zinc/07/95/83/570079583.db2.gz SZYHLTLSHHPIIM-INCSMEFSSA-N 0 1 496.589 5.313 40 30 JKEBMN CCOC(=O)C1=C(C)NC(SCc2ccccc2C#N)=N[C@@H]1c1cccc(Br)c1 ZINC000408988042 570093063 /nfs/dbraw/zinc/09/30/63/570093063.db2.gz GRWPKFLBPNENMY-HXUWFJFHSA-N 0 1 470.392 5.092 40 30 JKEBMN C=C1N=C(SCc2ccccc2C#N)N[C@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408988042 570093065 /nfs/dbraw/zinc/09/30/65/570093065.db2.gz GRWPKFLBPNENMY-HXUWFJFHSA-N 0 1 470.392 5.092 40 30 JKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCC(=O)Nc1ccccc1C ZINC000409008605 570098753 /nfs/dbraw/zinc/09/87/53/570098753.db2.gz YONBVWNHYPIQSS-YSMPRRRNSA-N 0 1 460.559 5.467 40 30 JKEBMN CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccccc1C ZINC000409008605 570098754 /nfs/dbraw/zinc/09/87/54/570098754.db2.gz YONBVWNHYPIQSS-YSMPRRRNSA-N 0 1 460.559 5.467 40 30 JKEBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000409024098 570103923 /nfs/dbraw/zinc/10/39/23/570103923.db2.gz VHDNRTJIAPGWJX-QHFGQAMDSA-N 0 1 470.598 5.298 40 30 JKEBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000409024097 570103940 /nfs/dbraw/zinc/10/39/40/570103940.db2.gz VHDNRTJIAPGWJX-NRXPLXKSSA-N 0 1 470.598 5.298 40 30 JKEBMN CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)c1O ZINC000254871254 570106393 /nfs/dbraw/zinc/10/63/93/570106393.db2.gz SBYMDMJEDONQOI-MRXNPFEDSA-N 0 1 459.502 6.771 40 30 JKEBMN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O ZINC000409045534 570108565 /nfs/dbraw/zinc/10/85/65/570108565.db2.gz PWYHBSWIYPBWEX-UHFFFAOYSA-N 0 1 468.550 5.015 40 30 JKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409046987 570108908 /nfs/dbraw/zinc/10/89/08/570108908.db2.gz STJRHACJYSAZFI-BRJLIKDPSA-N 0 1 458.370 6.637 40 30 JKEBMN Fc1ccc(COc2ccc(C=NNc3ccc(C(F)(F)F)cn3)cc2Br)cc1 ZINC000409065875 570116404 /nfs/dbraw/zinc/11/64/04/570116404.db2.gz KWUCVTIIGZAQJZ-YPXUMCKCSA-N 0 1 468.248 6.027 40 30 JKEBMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000409068912 570117457 /nfs/dbraw/zinc/11/74/57/570117457.db2.gz KGIFEAKQZZASNP-LUOAPIJWSA-N 0 1 484.261 6.945 40 30 JKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(Br)cc1OCc1cccc(C)c1 ZINC000409071513 570118343 /nfs/dbraw/zinc/11/83/43/570118343.db2.gz PFJVQYBJLVHSRM-IPBVOBEMSA-N 0 1 494.311 6.205 40 30 JKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Br)c1OCC ZINC000409076034 570119967 /nfs/dbraw/zinc/11/99/67/570119967.db2.gz WTMQJARHEBOAJQ-AUEPDCJTSA-N 0 1 476.249 5.620 40 30 JKEBMN Cc1cccc(COc2ccc(Br)cc2C=NNc2ccc(C(F)(F)F)cn2)c1 ZINC000409075883 570119973 /nfs/dbraw/zinc/11/99/73/570119973.db2.gz UYQHNBKUKSEJJE-LUOAPIJWSA-N 0 1 464.285 6.196 40 30 JKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1cccc(Br)c1 ZINC000409077783 570120558 /nfs/dbraw/zinc/12/05/58/570120558.db2.gz GUEAGGKRTQIAKN-ZMOGYAJESA-N 0 1 482.359 5.733 40 30 JKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc2ccccc2c1 ZINC000409084333 570122605 /nfs/dbraw/zinc/12/26/05/570122605.db2.gz BGGKWZWCXUAGFP-AMVVHIIESA-N 0 1 451.448 6.287 40 30 JKEBMN Oc1c(I)cc(Br)cc1/C=N/c1cccc(Br)c1 ZINC000409084163 570122608 /nfs/dbraw/zinc/12/26/08/570122608.db2.gz BSEPFTMXLLXNMS-REZTVBANSA-N 0 1 480.925 5.272 40 30 JKEBMN Cc1cccc(COc2c(Cl)cc(CN=Nc3ccc(C(F)(F)F)cn3)cc2Cl)c1 ZINC000409089672 570124453 /nfs/dbraw/zinc/12/44/53/570124453.db2.gz NLAUDJOEJHYYPK-ORBVJSQLSA-N 0 1 454.279 6.741 40 30 JKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Br)c1OCc1ccc(F)cc1 ZINC000409091551 570124931 /nfs/dbraw/zinc/12/49/31/570124931.db2.gz VCDVUWOBPKWNBS-ORBVJSQLSA-N 0 1 498.274 6.036 40 30 JKEBMN Oc1c(I)cc(Br)cc1/C=N/c1cccc2ccccc21 ZINC000409091951 570125095 /nfs/dbraw/zinc/12/50/95/570125095.db2.gz WEGWZAKRGXOWAF-KEBDBYFISA-N 0 1 452.089 5.663 40 30 JKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccccc1F ZINC000409093697 570125706 /nfs/dbraw/zinc/12/57/06/570125706.db2.gz BDSHZDLVDWAKAW-ORBVJSQLSA-N 0 1 453.823 5.927 40 30 JKEBMN C=CCc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(OCC)c1OCc1ccccc1Cl ZINC000409094657 570126104 /nfs/dbraw/zinc/12/61/04/570126104.db2.gz FMMCHPOMMFWUTR-XAZZYMPDSA-N 0 1 489.925 6.906 40 30 JKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(Br)cc1 ZINC000409095568 570126522 /nfs/dbraw/zinc/12/65/22/570126522.db2.gz HWWJJDRIFUFLPQ-LUOAPIJWSA-N 0 1 480.284 5.897 40 30 JKEBMN Fc1cccc(COc2ccc(C=NNc3ccc(C(F)(F)F)cn3)cc2Br)c1 ZINC000409097090 570127128 /nfs/dbraw/zinc/12/71/28/570127128.db2.gz LMVPOBHBGOTRAP-YPXUMCKCSA-N 0 1 468.248 6.027 40 30 JKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(OCc3ccccc3)c(I)c2)nc1 ZINC000409097227 570127140 /nfs/dbraw/zinc/12/71/40/570127140.db2.gz GBFFMFLNWMKCLI-KBKYJPHKSA-N 0 1 497.258 5.730 40 30 JKEBMN Cc1ccc(Cl)cc1/N=C/c1cc(Br)cc(I)c1O ZINC000409099285 570127861 /nfs/dbraw/zinc/12/78/61/570127861.db2.gz KUKLRQQXURGCHY-CNHKJKLMSA-N 0 1 450.501 5.472 40 30 JKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(OCc3ccccc3)c(Br)c2)nc1 ZINC000409101756 570128728 /nfs/dbraw/zinc/12/87/28/570128728.db2.gz XTCADHGCFCLXEM-KBKYJPHKSA-N 0 1 450.258 5.888 40 30 JKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409102515 570128898 /nfs/dbraw/zinc/12/88/98/570128898.db2.gz AUCOKTKHHQFEIR-VPUKRXIYSA-N 0 1 467.850 6.317 40 30 JKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1 ZINC000409102872 570128901 /nfs/dbraw/zinc/12/89/01/570128901.db2.gz FMWNAAGHZODALA-KKMKTNMSSA-N 0 1 479.842 6.301 40 30 JKEBMN CC[C@H](C)c1ccc(/N=C/c2cc(Br)cc(I)c2O)cc1 ZINC000409104872 570129795 /nfs/dbraw/zinc/12/97/95/570129795.db2.gz KLOUCRBEQHDSBC-KKBVUKDESA-N 0 1 458.137 6.023 40 30 JKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409105911 570130119 /nfs/dbraw/zinc/13/01/19/570130119.db2.gz PEPQXADHOUTICG-ORBVJSQLSA-N 0 1 453.823 5.927 40 30 JKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Br)c1OCc1cccc(C)c1 ZINC000409108512 570131229 /nfs/dbraw/zinc/13/12/29/570131229.db2.gz WJISLEDFPSFAFM-IPBVOBEMSA-N 0 1 494.311 6.205 40 30 JKEBMN COc1c(Br)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Br ZINC000409109004 570131375 /nfs/dbraw/zinc/13/13/75/570131375.db2.gz ZKEALKLFZAAVBF-AERZKKPOSA-N 0 1 453.056 5.080 40 30 JKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Br)c1O[C@H](C)CC ZINC000409116997 570134509 /nfs/dbraw/zinc/13/45/09/570134509.db2.gz MTOPALASDZNIAJ-LPUHGPTISA-N 0 1 460.294 5.885 40 30 JKEBMN C=CCOc1cc(Br)c(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC ZINC000409120387 570135509 /nfs/dbraw/zinc/13/55/09/570135509.db2.gz VLVXPCGJZGBHFD-BHGWPJFGSA-N 0 1 488.260 5.786 40 30 JKEBMN C#CCOc1c(Cl)cc(CC2S/C(=N/c3ccc(OCC)cc3)N(CCC)C2=O)cc1OC ZINC000409145934 570146873 /nfs/dbraw/zinc/14/68/73/570146873.db2.gz QUMUMMRNJZDORC-SIHNDCSESA-N 0 1 487.021 5.344 40 30 JKEBMN COc1ccc(/N=C2/SC(Cc3ccc(OCc4ccccc4F)cc3)C(=O)N2C)cc1 ZINC000409147192 570147540 /nfs/dbraw/zinc/14/75/40/570147540.db2.gz WRVJXJDMCDQWLD-UQWHDRFCSA-N 0 1 450.535 5.217 40 30 JKEBMN CCOc1cc(CC2S/C(=N/c3ccc(C)cc3)N(C)C2=O)ccc1OCc1ccccc1C#N ZINC000409159955 570151642 /nfs/dbraw/zinc/15/16/42/570151642.db2.gz CWGYANCROPOBIX-UAEDJDKWSA-N 0 1 485.609 5.648 40 30 JKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409178477 570158008 /nfs/dbraw/zinc/15/80/08/570158008.db2.gz INSDNVMTHGOZSJ-LGJNPRDNSA-N 0 1 455.345 6.293 40 30 JKEBMN O=[N+]([O-])c1cc(C=Nc2cccc(Br)c2)ccc1Sc1nc(-c2ccccc2)n[nH]1 ZINC000409193379 570162742 /nfs/dbraw/zinc/16/27/42/570162742.db2.gz JSYOAMUKWASYCX-YDZHTSKRSA-N 0 1 480.347 6.044 40 30 JKEBMN C=CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)cc1 ZINC000409241695 570182263 /nfs/dbraw/zinc/18/22/63/570182263.db2.gz SZPMCWYPFOJSEN-YZSQISJMSA-N 0 1 499.636 5.614 40 30 JKEBMN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cc(Br)cc(Br)c1O ZINC000408530234 570187526 /nfs/dbraw/zinc/18/75/26/570187526.db2.gz LLYGFFJLRBURBE-MLPAPPSSSA-N 0 1 488.588 5.462 40 30 JKEBMN N#Cc1c(NC(=O)CSc2nc(-c3ccco3)n[nH]2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000409272468 570189403 /nfs/dbraw/zinc/18/94/03/570189403.db2.gz GXBFDKIFBPUICB-UHFFFAOYSA-N 0 1 467.510 5.594 40 30 JKEBMN CCOc1cc(COc2ccc(Br)cc2/C=N\O)ccc1OCc1ccccc1 ZINC000408539228 570191249 /nfs/dbraw/zinc/19/12/49/570191249.db2.gz GDAYUKJAHXMCEQ-QFEZKATASA-N 0 1 456.336 5.814 40 30 JKEBMN COc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)[nH]c2c1 ZINC000408554750 570196468 /nfs/dbraw/zinc/19/64/68/570196468.db2.gz FIQRQSJGFFUBNW-CYBMUJFWSA-N 0 1 454.621 5.386 40 30 JKEBMN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc(-c4ccncc4)n[nH]3)sc2C1 ZINC000408580799 570206647 /nfs/dbraw/zinc/20/66/47/570206647.db2.gz DZAXHYPXQAFEFH-OAHLLOKOSA-N 0 1 466.636 5.072 40 30 JKEBMN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc(-c4ccco4)n[nH]3)sc2C1 ZINC000408581172 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COc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1Br ZINC000013940963 555652150 /nfs/dbraw/zinc/65/21/50/555652150.db2.gz GMMZPPYWOZIPTQ-PKAZHMFMSA-N 0 1 462.391 5.179 40 30 JKEBMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000020344734 555778665 /nfs/dbraw/zinc/77/86/65/555778665.db2.gz IVBULXFOCAHCPY-YBFXNURJSA-N 0 1 474.542 5.001 40 30 JKEBMN Clc1ccccc1COc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1Br ZINC000014408434 555809240 /nfs/dbraw/zinc/80/92/40/555809240.db2.gz JHQDWIZWXQTZHG-WYMPLXKRSA-N 0 1 472.795 6.737 40 30 JKEBMN Brc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1cccc2ccccc21 ZINC000014408451 555809263 /nfs/dbraw/zinc/80/92/63/555809263.db2.gz IONXFWZCWTXJCL-JFLMPSFJSA-N 0 1 488.410 7.237 40 30 JKEBMN Brc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1cccc2ccccc21 ZINC000014408451 555809266 /nfs/dbraw/zinc/80/92/66/555809266.db2.gz IONXFWZCWTXJCL-JFLMPSFJSA-N 0 1 488.410 7.237 40 30 JKEBMN Cc1cc2nc(-c3ccc(/N=C/c4cc(Cc5ccccc5Cl)ccc4O)cc3O)oc2cc1C ZINC000016284201 556132850 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6.514 40 30 JKEBMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1 ZINC000059475472 569604891 /nfs/dbraw/zinc/60/48/91/569604891.db2.gz YCQIAPXZPAMDDV-ASFRMHBNSA-N 0 1 464.164 6.748 40 30 JKEBMN CCCCCCCCCCCCCCCCCCN(C)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000059662829 569607313 /nfs/dbraw/zinc/60/73/13/569607313.db2.gz PIPCDROFLJIMMV-UHFFFAOYSA-N 0 1 488.156 9.532 40 30 JKEBMN CCOc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OCc1ccccc1 ZINC000059953657 569608122 /nfs/dbraw/zinc/60/81/22/569608122.db2.gz VBJPNVJDJFZOKF-VUTHCHCSSA-N 0 1 487.581 5.611 40 30 JKEBMN COc1ccc(CCN2C(=O)C(=O)C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000033541352 569627680 /nfs/dbraw/zinc/62/76/80/569627680.db2.gz VQVONGWZSWSAOT-RUZDIDTESA-N 0 1 491.609 5.710 40 30 JKEBMN CCCCc1n[nH]c(=S)n1N=Cc1ccc(OCc2ccc(C(C)(C)C)cc2)c(OC)c1 ZINC000034691198 569645900 /nfs/dbraw/zinc/64/59/00/569645900.db2.gz CAYMFLSFSVOGKO-WGOQTCKBSA-N 0 1 452.624 6.051 40 30 JKEBMN COc1ccc(CCN2C(=O)C(=O)C(C(=O)C=Cc3ccccc3)[C@@H]2c2cccc(F)c2)cc1OC ZINC000035147230 569675898 /nfs/dbraw/zinc/67/58/98/569675898.db2.gz MQAZUIVICOAAOW-OTQLOIIPSA-N 0 1 487.527 5.064 40 30 JKEBMN COc1ccc(CCN2C(=O)C(=O)C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000035147226 569675964 /nfs/dbraw/zinc/67/59/64/569675964.db2.gz SQKLSYOVJOOTOH-FZTGKGDASA-N 0 1 487.527 5.064 40 30 JKEBMN COc1ccc(CCN2C(=O)C(=O)C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1OC ZINC000035147214 569675974 /nfs/dbraw/zinc/67/59/74/569675974.db2.gz IQPHZAJKWAEXTD-OQIXACFNSA-N 0 1 483.564 5.233 40 30 JKEBMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000035147489 569676004 /nfs/dbraw/zinc/67/60/04/569676004.db2.gz FSKLZIXWTIACHF-RUZDIDTESA-N 0 1 481.508 5.206 40 30 JKEBMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000035147491 569676191 /nfs/dbraw/zinc/67/61/91/569676191.db2.gz FSKLZIXWTIACHF-VWLOTQADSA-N 0 1 481.508 5.206 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4cccs4)[C@H]3c3ccc(C)cc3)c2c1 ZINC000035164173 569676365 /nfs/dbraw/zinc/67/63/65/569676365.db2.gz FOMBJJPHGKOOBX-XMMPIXPASA-N 0 1 472.566 5.367 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)C=Cc4ccccc4)[C@@H]3c3ccc(O)cc3)c2c1 ZINC000035164123 569676391 /nfs/dbraw/zinc/67/63/91/569676391.db2.gz UCIUHPAMCWSSLK-IUUBXHLCSA-N 0 1 494.547 5.103 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)C=Cc4ccccc4)[C@@H]3c3cccc(O)c3)c2c1 ZINC000035164119 569676469 /nfs/dbraw/zinc/67/64/69/569676469.db2.gz JDXDBEDCVOKFHV-YMQVXYQWSA-N 0 1 494.547 5.103 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)Cc4ccccc4)[C@@H]3c3ccc(C)cc3)c2c1 ZINC000035164255 569676532 /nfs/dbraw/zinc/67/65/32/569676532.db2.gz ZMOCGFFWZKQSGX-NDEPHWFRSA-N 0 1 480.564 5.235 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)Cc4ccccc4)[C@H]3c3ccc(C)cc3)c2c1 ZINC000035164252 569676548 /nfs/dbraw/zinc/67/65/48/569676548.db2.gz ZMOCGFFWZKQSGX-MUUNZHRXSA-N 0 1 480.564 5.235 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(OC)c3)c2c1 ZINC000035164969 569676858 /nfs/dbraw/zinc/67/68/58/569676858.db2.gz BOZFQUQPGAGQPN-HHHXNRCGSA-N 0 1 496.563 5.315 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccnc3)c2c1 ZINC000035165217 569676912 /nfs/dbraw/zinc/67/69/12/569676912.db2.gz AJSYVDZPLGSHFN-XMMPIXPASA-N 0 1 487.943 5.046 40 30 JKEBMN CCCCCCCCCCCCCCCCCC(=O)Nc1c(C)[nH]n(-c2ccccc2)c1=O ZINC000100988553 569778711 /nfs/dbraw/zinc/77/87/11/569778711.db2.gz HVBJINOMJFXXQC-HHHXNRCGSA-N 0 1 455.687 7.155 40 30 JKEBMN CCCCCCCCCCCCCCCCCC(=O)Nc1c(C)[nH]n(-c2ccccc2)c1=O ZINC000100988554 569778738 /nfs/dbraw/zinc/77/87/38/569778738.db2.gz HVBJINOMJFXXQC-MHZLTWQESA-N 0 1 455.687 7.155 40 30 JKEBMN [O-]c1c(Cl)cc(Br)cc1/C=N/c1c(Br)cc(O)cc1Br ZINC000038162390 569799577 /nfs/dbraw/zinc/79/95/77/569799577.db2.gz CZTMQTGVIMWIQV-BLLMUTORSA-N 0 1 484.369 5.789 40 30 JKEBMN CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Br)c4O)c3)nc2c1 ZINC000038180010 569800238 /nfs/dbraw/zinc/80/02/38/569800238.db2.gz HNEDAJQIZAEMII-HWDKICEFSA-N 0 1 483.793 7.880 40 30 JKEBMN CCCCCCCN(CCCCCCC)CC(=O)c1ccc2cc(Cl)c3ccccc3c2c1 ZINC000104248262 569844043 /nfs/dbraw/zinc/84/40/43/569844043.db2.gz OXFMMDZNYBCKOW-UHFFFAOYSA-N 0 1 466.109 9.072 40 30 JKEBMN Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2ccccc2I)cc1 ZINC000105018543 569851276 /nfs/dbraw/zinc/85/12/76/569851276.db2.gz RDPFALIJGAULIS-HMAPJEAMSA-N 0 1 476.339 5.151 40 30 JKEBMN CCC[C@@H]1[C@@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)C[C@@]1(O)C#Cc1ccccc1 ZINC000106587196 569854393 /nfs/dbraw/zinc/85/43/93/569854393.db2.gz BKJQDSATKUPWJM-ATIZSFMBSA-N 0 1 455.598 5.679 40 30 JKEBMN COc1ccc(-c2oc(/N=C/c3cc(Cl)c(O)c(OC)c3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000109185174 569860504 /nfs/dbraw/zinc/86/05/04/569860504.db2.gz IAHBEGMQQFMPLV-FJEPWZHXSA-N 0 1 488.927 6.621 40 30 JKEBMN CCOc1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1O ZINC000109502966 569860544 /nfs/dbraw/zinc/86/05/44/569860544.db2.gz 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ALYXXHXQLOGYOT-HNEFAFEWSA-N 0 1 475.526 5.156 40 30 JKEBMN Cc1c(CN=Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000408909614 570071998 /nfs/dbraw/zinc/07/19/98/570071998.db2.gz HOAWXJZVRSSDPE-QFEZKATASA-N 0 1 463.335 6.115 40 30 JKEBMN COc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000408911463 570072960 /nfs/dbraw/zinc/07/29/60/570072960.db2.gz ZLFLKROJSFLSBD-RXSVPLANSA-N 0 1 475.526 5.674 40 30 JKEBMN Cc1ccc(-c2nc(N=NCc3cc(Cl)cc(Cl)c3O)sc2-c2ccccc2)cc1C ZINC000408976116 570089882 /nfs/dbraw/zinc/08/98/82/570089882.db2.gz PEUSXIKVZWZDPV-UVHMKAGCSA-N 0 1 468.409 7.552 40 30 JKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409007676 570098508 /nfs/dbraw/zinc/09/85/08/570098508.db2.gz QFWHOIKAQIFWNF-YSMPRRRNSA-N 0 1 460.559 5.467 40 30 JKEBMN CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409007676 570098510 /nfs/dbraw/zinc/09/85/10/570098510.db2.gz QFWHOIKAQIFWNF-YSMPRRRNSA-N 0 1 460.559 5.467 40 30 JKEBMN COCCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2O)C2=C1CCCC2=O ZINC000409049303 570109473 /nfs/dbraw/zinc/10/94/73/570109473.db2.gz QFDQYNRDIWLSKR-UHFFFAOYSA-N 0 1 450.362 5.149 40 30 JKEBMN Cc1ccc(COc2c(Cl)cc(C=NNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2Cl)cc1 ZINC000409065005 570115941 /nfs/dbraw/zinc/11/59/41/570115941.db2.gz KBGOQFHITPJEHE-IPBVOBEMSA-N 0 1 498.288 7.254 40 30 JKEBMN FC(F)(F)c1ccc(NN=Cc2cc(Br)ccc2OCc2ccccc2)nc1 ZINC000409065443 570116202 /nfs/dbraw/zinc/11/62/02/570116202.db2.gz LRXVCTWMUOAMFD-KBKYJPHKSA-N 0 1 450.258 5.888 40 30 JKEBMN FC(F)(F)c1ccc(NN=Cc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)nc1 ZINC000409068031 570117155 /nfs/dbraw/zinc/11/71/55/570117155.db2.gz FKGMKHOLJNABBD-IURWMYGYSA-N 0 1 490.312 7.585 40 30 JKEBMN C=CCOc1c(Br)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Br ZINC000409068835 570117449 /nfs/dbraw/zinc/11/74/49/570117449.db2.gz JADDWFLBBNHTIK-NYAPKIOYSA-N 0 1 479.094 5.636 40 30 JKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409069893 570117852 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466.822 5.356 40 30 JKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)cc1OC ZINC000409095306 570126362 /nfs/dbraw/zinc/12/63/62/570126362.db2.gz ARJAECUCDUPTAW-LSFURLLWSA-N 0 1 462.222 5.229 40 30 JKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1O[C@H](C)CC ZINC000409096160 570126644 /nfs/dbraw/zinc/12/66/44/570126644.db2.gz FNOAEEQBQHAPIR-BTQGWNRHSA-N 0 1 459.852 6.289 40 30 JKEBMN Oc1c(I)cc(Br)cc1/C=N/c1ccc(-c2ccccc2)cc1 ZINC000409096693 570126967 /nfs/dbraw/zinc/12/69/67/570126967.db2.gz KXMMEOMZDZOORX-WSDLNYQXSA-N 0 1 478.127 6.177 40 30 JKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccccc1F ZINC000409097187 570127120 /nfs/dbraw/zinc/12/71/20/570127120.db2.gz HTXWYKUWSXHIED-VPUKRXIYSA-N 0 1 467.850 6.317 40 30 JKEBMN Oc1c(I)cc(Br)cc1/C=N\c1ccc2ccccc2c1 ZINC000409098074 570127376 /nfs/dbraw/zinc/12/73/76/570127376.db2.gz IFRQWWLUTSRQKS-JMIUGGIZSA-N 0 1 452.089 5.663 40 30 JKEBMN CCOc1c(Br)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Br ZINC000409101610 570128593 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CCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C)cc1 ZINC000059102801 195387445 /nfs/dbraw/zinc/38/74/45/195387445.db2.gz QAGDPQLQMNKHKF-MUUNZHRXSA-N 0 1 491.672 7.503 40 30 JKEBMN CCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000059102820 195387491 /nfs/dbraw/zinc/38/74/91/195387491.db2.gz SGUGBRCQTQUDQU-MHZLTWQESA-N 0 1 495.635 7.334 40 30 JKEBMN CCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(O)c1 ZINC000059102916 195387788 /nfs/dbraw/zinc/38/77/88/195387788.db2.gz UMPBTSNVVCQKPN-MHZLTWQESA-N 0 1 493.644 6.900 40 30 JKEBMN N#Cc1ccccc1Cn1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000059135960 195390984 /nfs/dbraw/zinc/39/09/84/195390984.db2.gz NSKJPYHWFHXKBP-FYJGNVAPSA-N 0 1 480.524 5.372 40 30 JKEBMN C=CCc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1F ZINC000059136329 195391375 /nfs/dbraw/zinc/39/13/75/195391375.db2.gz FREVQZBKFUSJFJ-HMMYKYKNSA-N 0 1 490.531 5.944 40 30 JKEBMN C=CCOc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OCC 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DBIAUPCODMTXDV-MWAVMZGNSA-N 0 1 491.620 7.358 40 30 JKEBMN Cc1ccc2oc(-c3cc(/N=C\c4ccc(-c5cc([N+](=O)[O-])ccc5Cl)o4)ccc3O)nc2c1 ZINC000016348391 524086087 /nfs/dbraw/zinc/08/60/87/524086087.db2.gz BATAHJQNAUZYGV-WKIKZPBSSA-N 0 1 473.872 7.081 40 30 JKEBMN Cc1cccc2oc(-c3ccc(C)c(/N=C/c4cc(Cl)cc(Br)c4O)c3)nc21 ZINC000003044493 524994759 /nfs/dbraw/zinc/99/47/59/524994759.db2.gz PKYMRGMUSZFVFX-OPEKNORGSA-N 0 1 455.739 6.984 40 30 JKEBMN O=C(Oc1ccc(/C=N/c2ccc(-c3nc4ccccc4o3)c(O)c2)cc1)c1ccc(F)cc1 ZINC000003143883 526438375 /nfs/dbraw/zinc/43/83/75/526438375.db2.gz JRXGLLIUSIGPOB-MUFRIFMGSA-N 0 1 452.441 6.309 40 30 JKEBMN O=C(Oc1ccc(/C=N\c2ccc(O)c(-c3nc4ccccc4o3)c2)cc1)c1ccc(F)cc1 ZINC000016545308 526439926 /nfs/dbraw/zinc/43/99/26/526439926.db2.gz MPODMBHUKQHHTE-MWLSYYOVSA-N 0 1 452.441 6.309 40 30 JKEBMN Clc1ccccc1-c1ccc(C=NN=c2nc(Nc3ccccc3)[nH]c(Nc3ccccc3)n2)o1 ZINC000016490563 526984353 /nfs/dbraw/zinc/98/43/53/526984353.db2.gz LNLXKFAKNCBXGZ-QRQIAZFYSA-N 0 1 481.947 6.718 40 30 JKEBMN O=C(Nc1ccc(/N=C/c2cc(Cl)cc(Br)c2O)cc1Cl)c1ccco1 ZINC000016430205 527154324 /nfs/dbraw/zinc/15/43/24/527154324.db2.gz LUCKYKOEKCVWID-LSFURLLWSA-N 0 1 454.107 6.057 40 30 JKEBMN CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000005926183 554496082 /nfs/dbraw/zinc/49/60/82/554496082.db2.gz MEZBAAHWLURJKJ-QFIPXVFZSA-N 0 1 468.336 6.175 40 30 JKEBMN CCCCCn1c2ccccc2nc1/N=C\c1cc(Br)cc(Br)c1O ZINC000008951365 554834232 /nfs/dbraw/zinc/83/42/32/554834232.db2.gz DLCVQPILPJXHIG-UUYOSTAYSA-N 0 1 465.189 6.208 40 30 JKEBMN COc1cccc(C=NNc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)c1O ZINC000013304457 555374345 /nfs/dbraw/zinc/37/43/45/555374345.db2.gz WFRSKNKVCCSYED-CVKSISIWSA-N 0 1 475.346 5.733 40 30 JKEBMN Cc1ccc(-c2ccc(/C=N\N=C3/NC(=O)C(Cc4cccc(C(F)(F)F)c4)S3)o2)cc1 ZINC000013634328 555543957 /nfs/dbraw/zinc/54/39/57/555543957.db2.gz XDFJIOJMWNITIB-PLNVPOSRSA-N 0 1 457.477 5.438 40 30 JKEBMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1N=NCc1ccc(OC(F)F)cc1 ZINC000012540409 556013941 /nfs/dbraw/zinc/01/39/41/556013941.db2.gz PMUQUKIGHHMDSJ-WYMPLXKRSA-N 0 1 496.879 5.096 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4cccc(OC)c4)[C@@H]3c3cccs3)c2c1 ZINC000015920312 556067861 /nfs/dbraw/zinc/06/78/61/556067861.db2.gz SEJPAJIAUBFHGQ-DEOSSOPVSA-N 0 1 488.565 5.068 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4cccs4)[C@@H]3c3ccccc3)c2c1 ZINC000015920357 556068163 /nfs/dbraw/zinc/06/81/63/556068163.db2.gz UZQGEZDFIMEELB-QHCPKHFHSA-N 0 1 458.539 5.059 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4cccs4)[C@H]3c3ccc(F)cc3)c2c1 ZINC000015920366 556068223 /nfs/dbraw/zinc/06/82/23/556068223.db2.gz HFCSORCOLUMEID-HSZRJFAPSA-N 0 1 476.529 5.198 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccccc4)[C@@H]3c3cccs3)c2c1 ZINC000015920427 556068768 /nfs/dbraw/zinc/06/87/68/556068768.db2.gz FNLMMIDADHQIKY-QHCPKHFHSA-N 0 1 458.539 5.059 40 30 JKEBMN COc1ccc2[nH]cc(CCN3C(=O)C(=O)C(C(=O)c4ccccc4)[C@H]3c3cccs3)c2c1 ZINC000015920428 556068853 /nfs/dbraw/zinc/06/88/53/556068853.db2.gz FNLMMIDADHQIKY-HSZRJFAPSA-N 0 1 458.539 5.059 40 30 JKEBMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccc(OC)cc34)[C@H]2c2cccs2)cc1 ZINC000015920454 556069193 /nfs/dbraw/zinc/06/91/93/556069193.db2.gz LBLNIFZZSSDJKL-DEOSSOPVSA-N 0 1 488.565 5.068 40 30 JKEBMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000027061671 556273266 /nfs/dbraw/zinc/27/32/66/556273266.db2.gz TYVIDFLHLGAGLP-NRFANRHFSA-N 0 1 485.945 5.210 40 30 JKEBMN Cc1cc(C)nc(NC(=NC(=O)Nc2cccc(Cl)c2)NCCc2c[nH]c3ccc(F)cc23)n1 ZINC000018208798 556310075 /nfs/dbraw/zinc/31/00/75/556310075.db2.gz LUBDBUKWDGIMEK-UHFFFAOYSA-N 0 1 479.947 5.200 40 30 JKEBMN Oc1c(Br)cc(Br)cc1CN=Nc1ncnc2c3ccccc3oc21 ZINC000019118702 556331298 /nfs/dbraw/zinc/33/12/98/556331298.db2.gz BLHIDWGGYSDCDT-QPJQQBGISA-N 0 1 462.101 5.053 40 30 JKEBMN COc1cc(/C=N/c2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cc(Br)c1O ZINC000019730674 556362699 /nfs/dbraw/zinc/36/26/99/556362699.db2.gz GGCGZVAYUAHMAZ-RPPGKUMJSA-N 0 1 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570028421 /nfs/dbraw/zinc/02/84/21/570028421.db2.gz XRXNSYNKJXOVFN-CFRMEGHHSA-N 0 1 468.376 6.092 40 30 JKEBMN O=S(=O)(c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1)N1CCc2ccccc2C1 ZINC000408729646 570028791 /nfs/dbraw/zinc/02/87/91/570028791.db2.gz HNSIWJKUSHKHDX-DHRITJCHSA-N 0 1 461.370 5.197 40 30 JKEBMN CNCc1cc(C)nc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c1C#N ZINC000408749316 570033598 /nfs/dbraw/zinc/03/35/98/570033598.db2.gz FQRACVDGJCFAHM-UHFFFAOYSA-N 0 1 480.018 5.648 40 30 JKEBMN Cc1ccc(N2C(=O)C(=CNc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)NC2=S)cc1 ZINC000408759748 570036541 /nfs/dbraw/zinc/03/65/41/570036541.db2.gz KTYSDJBMLUOWCM-YJOILLIZSA-N 0 1 471.626 5.229 40 30 JKEBMN O=C(NCc1ccco1)c1c2c(sc1/N=C\c1ccc(/N=N/c3ccccc3)cc1O)CCCC2 ZINC000408846444 570054598 /nfs/dbraw/zinc/05/45/98/570054598.db2.gz JOSPOFJNESORPQ-REIJUKGRSA-N 0 1 484.581 7.022 40 30 JKEBMN CCOc1cc(CN=Nc2ccccn2)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000408853532 570055951 /nfs/dbraw/zinc/05/59/51/570055951.db2.gz VALZVLWWSQCUBB-ZRGSRPPYSA-N 0 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C=CCc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000409100146 570128125 /nfs/dbraw/zinc/12/81/25/570128125.db2.gz QAZDYCNOWSIGPU-VFLNYLIXSA-N 0 1 486.450 5.771 40 30 JKEBMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409100374 570128157 /nfs/dbraw/zinc/12/81/57/570128157.db2.gz MXXSWYIRHZNUPT-IURWMYGYSA-N 0 1 485.893 6.941 40 30 JKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409100626 570128311 /nfs/dbraw/zinc/12/83/11/570128311.db2.gz QXJZYJVLGMBOOK-ORBVJSQLSA-N 0 1 470.278 6.441 40 30 JKEBMN Cc1cc(/N=C/c2cc(Br)cc(I)c2O)ccc1Br ZINC000409101759 570128657 /nfs/dbraw/zinc/12/86/57/570128657.db2.gz RBZTVEVBOSLCDX-CNHKJKLMSA-N 0 1 494.952 5.581 40 30 JKEBMN C=CCOc1c(Br)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC ZINC000409104943 570129765 /nfs/dbraw/zinc/12/97/65/570129765.db2.gz GVUHNCBZBMONOY-BHGWPJFGSA-N 0 1 488.260 5.786 40 30 JKEBMN FC(F)(F)c1ccc(NN=Cc2c(OCc3ccccc3Cl)ccc3ccccc32)nc1 ZINC000409105047 570129808 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