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COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)[nH]c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008829583 562955102 /nfs/dbraw/zinc/95/51/02/562955102.db2.gz WELXITGPURGGKZ-HGIQPGCESA-N 0 0 489.547 3.422 3 0 JGAFRN O=C([C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)N1CCN(c2ccccc2F)CC1 ZINC000009153356 562955596 /nfs/dbraw/zinc/95/55/96/562955596.db2.gz SGZSUARORJIAKV-LJQANCHMSA-N 0 0 477.588 3.257 3 0 JGAFRN CCC(C)(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)C1 ZINC000009429559 562955977 /nfs/dbraw/zinc/95/59/77/562955977.db2.gz MWEZCTBGQXSEKW-FUHWJXTLSA-N 0 0 461.628 3.080 3 0 JGAFRN C[C@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)ccc2N1C(=O)C1CC1 ZINC000009429338 562955981 /nfs/dbraw/zinc/95/59/81/562955981.db2.gz BBRAAXAWGJAMBF-ROUUACIJSA-N 0 0 473.639 3.033 3 0 JGAFRN CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(NCCc4ccccn4)n[nH]c2-3)C(=O)O1 ZINC000011524578 562957312 /nfs/dbraw/zinc/95/73/12/562957312.db2.gz IKKHHZKVFLLTPZ-FQEVSTJZSA-N 0 0 460.538 3.076 1 0 JGAFRN O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCO[C@H](CO)CCn1cc2c2ccccc21 ZINC000011686336 562957462 /nfs/dbraw/zinc/95/74/62/562957462.db2.gz XIFXMAQLEGCDQV-KRWDZBQOSA-N 0 0 455.514 3.335 1 0 in-vivo JGAFRN CC(C)Cc1nc2cc(NS(=O)(=O)N(C)C)cc(C(=O)N3CCOc4ccccc4C3)c2n1C ZINC000012048859 562959012 /nfs/dbraw/zinc/95/90/12/562959012.db2.gz DTMZWNOHNZSJDC-UHFFFAOYSA-N 0 0 485.610 3.025 1 0 JGAFRN Cc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)o1 ZINC000012472778 562960114 /nfs/dbraw/zinc/96/01/14/562960114.db2.gz XRIBLZFXFUUGEL-OAQYLSRUSA-N 0 0 489.557 3.430 1 0 JGAFRN CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3ccc(C)cc3)C(=O)[C@]12C ZINC000012477494 562960180 /nfs/dbraw/zinc/96/01/80/562960180.db2.gz MRUGXWIPIAZVHR-QNGCPFJASA-N 0 0 450.491 3.474 3 0 JGAFRN COc1cc(C(=O)NCC(=O)NCCSc2ccc(Br)cc2)cc(OC)c1OC ZINC000012875179 562960933 /nfs/dbraw/zinc/96/09/33/562960933.db2.gz JWUXGEAXSFQRFR-UHFFFAOYSA-N 0 0 483.384 3.113 3 0 JGAFRN O=C(CNC(=O)c1ccco1)N(C[C@@H]1CCCO1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000013150801 562961811 /nfs/dbraw/zinc/96/18/11/562961811.db2.gz DKDFQMCMMWNQSO-URXFXBBRSA-N 0 0 467.566 3.207 3 0 JGAFRN Cn1c(CCc2ccc(C(N)=[NH2+])cc2)nc2cc(C(=O)N(CC(=O)[O-])c3ccccc3)ccc21 ZINC000013473167 562966158 /nfs/dbraw/zinc/96/61/58/562966158.db2.gz FFVZTRXLNYRGPL-UHFFFAOYSA-N 0 0 455.518 3.374 1 0 JGAFRN C[C@H]1O[C@@H](n2cnc3c2ncnc3NC2CCCC2)[C@H](O)[C@H]1NC(=O)C1(c2ccccc2)CCCC1 ZINC000013473192 562966181 /nfs/dbraw/zinc/96/61/81/562966181.db2.gz KXYIEHRCZNUBSU-ZGCBHORLSA-N 0 0 490.608 3.456 1 0 JGAFRN Cn1c(CNc2ccc(C(N)=[NH2+])cc2)nc2cc(C(=O)N(CC(=O)[O-])c3ccccc3)ccc21 ZINC000013473169 562966190 /nfs/dbraw/zinc/96/61/90/562966190.db2.gz XFBPQAYYLYHDNS-UHFFFAOYSA-N 0 0 456.506 3.201 1 0 JGAFRN C/C=C/C=C/C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)CCCCC)c3)=NO2)C[C@H]1C(N)=O ZINC000013478562 562967263 /nfs/dbraw/zinc/96/72/63/562967263.db2.gz KIHODMOCADMBJL-OQMOHXCVSA-N 0 0 452.555 3.287 3 0 JGAFRN CC(=O)Nc1ccc(Cc2nc3c([nH]2)n(CC(C)C)c(=O)n(Cc2ccccc2F)c3=O)cc1 ZINC000013554315 562973566 /nfs/dbraw/zinc/97/35/66/562973566.db2.gz NCKYEOFIJMARBZ-UHFFFAOYSA-N 0 0 463.513 3.279 1 0 JGAFRN NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(Br)c1 ZINC000013561073 562975597 /nfs/dbraw/zinc/97/55/97/562975597.db2.gz BEZUAJZUDKZKRH-UHFFFAOYSA-N 0 0 460.178 3.436 1 0 JGAFRN O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-c1ncc[nH]1 ZINC000013579382 562975628 /nfs/dbraw/zinc/97/56/28/562975628.db2.gz AUEBHBOXGGTNCG-UHFFFAOYSA-N 0 0 499.909 3.202 1 0 JGAFRN O=S(=O)(c1ccc(-c2ccnc(Nc3ccc4ncsc4c3)n2)cc1)N1CCNCC1 ZINC000013588917 562977837 /nfs/dbraw/zinc/97/78/37/562977837.db2.gz RJBNLDIMJDGXNV-UHFFFAOYSA-N 0 0 452.565 3.091 1 0 JGAFRN CCOc1ccc(-c2cn([C@@H]3OC[C@@H](O)[C@H]3O)c3ncnc(Nc4ccccc4OC)c23)cc1 ZINC000013674255 562983041 /nfs/dbraw/zinc/98/30/41/562983041.db2.gz MIQAOHJLEVIQRH-OPJGWUQDSA-N 0 0 462.506 3.500 1 0 JGAFRN O=C1c2cc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)ccc2N(Cc2ccc(F)nc2)C1=O ZINC000013676465 562983431 /nfs/dbraw/zinc/98/34/31/562983431.db2.gz MSJFYYXGZZIVOJ-SFHVURJKSA-N 0 0 495.532 3.182 1 0 JGAFRN CCOC(=O)C1=C(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)Nc2ccccc2N=C1CC ZINC000013684661 562984314 /nfs/dbraw/zinc/98/43/14/562984314.db2.gz MRLGOCZYOZBYIC-HZPDHXFCSA-N 0 0 466.538 3.051 1 0 JGAFRN Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1Nc1nn[nH]n1 ZINC000013746708 562988146 /nfs/dbraw/zinc/98/81/46/562988146.db2.gz HCOILVMPQWKLPU-QFIPXVFZSA-N 0 0 481.520 3.213 1 0 JGAFRN COc1ccccc1N1CCN(CCc2nn3c(nc4sc(C)c(C)c4c3=O)s2)CC1 ZINC000013761041 562989805 /nfs/dbraw/zinc/98/98/05/562989805.db2.gz LLKHQZSBKILTLO-UHFFFAOYSA-N 0 0 455.609 3.356 1 0 JGAFRN COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000013761482 562989938 /nfs/dbraw/zinc/98/99/38/562989938.db2.gz IBHRHASLMMYFEZ-SANMLTNESA-N 0 0 494.521 3.226 1 0 JGAFRN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NOCc1ccccc1)CC(C)C ZINC000013776856 562991032 /nfs/dbraw/zinc/99/10/32/562991032.db2.gz IVFPKTAJBISJDW-YKSBVNFPSA-N 0 0 478.593 3.242 1 0 JGAFRN C[C@@H]1C[C@@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)COC(=O)C(C)(C)C ZINC000013783354 562992867 /nfs/dbraw/zinc/99/28/67/562992867.db2.gz JWRMHDSINXPDHB-ICCYWRFNSA-N 0 0 494.575 3.441 1 0 JGAFRN CCCn1c2[nH]c(-c3ccc(OCC(=O)N(C)c4ccccc4)cc3)nc2c(=O)n(CCC)c1=O ZINC000013806281 562995283 /nfs/dbraw/zinc/99/52/83/562995283.db2.gz CXSDMMRBXDIDBH-UHFFFAOYSA-N 0 0 475.549 3.415 1 0 JGAFRN CCC(C)(C)C(=O)O[C@@H](C[C@@H](C)CO)[C@H]1[C@H](O)CC[C@H](C)[C@@H]1CC[C@@H]1C[C@@H](O)CC(=O)O1 ZINC000013823508 562997995 /nfs/dbraw/zinc/99/79/95/562997995.db2.gz BBJHGQSAVYWHGJ-NWKDGYKXSA-N 0 0 456.620 3.223 1 0 JGAFRN CCN(CC)C(=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000013833776 563000656 /nfs/dbraw/zinc/00/06/56/563000656.db2.gz CWALJOVPZNASNJ-RPWUZVMVSA-N 0 0 495.620 3.493 1 0 JGAFRN COC(=O)c1c(C(=O)OC)c(C(C)C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c1-c1ccc(F)cc1 ZINC000013861020 563002380 /nfs/dbraw/zinc/00/23/80/563002380.db2.gz UVRRDSHLWNNMFF-IAGOWNOFSA-N 0 0 461.486 3.447 1 0 JGAFRN O=C(OCc1cc2c(cc1Cl)OCO2)N1CCC(n2c(=O)c(=O)[nH]c3ccccc32)CC1 ZINC000013864293 563003860 /nfs/dbraw/zinc/00/38/60/563003860.db2.gz SRIRMRKTUJNXGI-UHFFFAOYSA-N 0 0 457.870 3.046 1 0 JGAFRN COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)CC1 ZINC000015936498 563012099 /nfs/dbraw/zinc/01/20/99/563012099.db2.gz ZJPQHVRAESLMGP-AWEZNQCLSA-N 0 0 475.592 3.167 3 0 JGAFRN CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@H]2N2C(=O)N(c3ccc(F)cc3)C(=O)[C@]12C ZINC000015936687 563012189 /nfs/dbraw/zinc/01/21/89/563012189.db2.gz QKXMAFKCNIHPLU-CWMLTSOLSA-N 0 0 454.454 3.304 3 0 JGAFRN CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3ccc(OC)cc3)C(=O)[C@]12C ZINC000015936678 563012197 /nfs/dbraw/zinc/01/21/97/563012197.db2.gz MFDUAYMXNZHZDI-QNGCPFJASA-N 0 0 466.490 3.174 3 0 JGAFRN CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1)C(=O)OCc1ccccc1 ZINC000015952267 563012669 /nfs/dbraw/zinc/01/26/69/563012669.db2.gz AZCUXRSYCDTJHJ-QFIPXVFZSA-N 0 0 474.561 3.496 3 0 JGAFRN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)[C@H](C)N2CCOCC2)C3)c1 ZINC000019217573 563014742 /nfs/dbraw/zinc/01/47/42/563014742.db2.gz NJWQQKWBPPEHDS-HNAYVOBHSA-N 0 0 460.958 3.165 1 0 JGAFRN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000025562607 563020476 /nfs/dbraw/zinc/02/04/76/563020476.db2.gz AIODKQYYALFNGH-PQMNFKMDSA-N 0 0 466.284 3.129 1 0 JGAFRN O=C(NC[C@H](c1ccccc1)N1CCN(C[C@H](O)COc2ccccc2)CC1)c1ccc(F)cc1 ZINC000026159219 563022826 /nfs/dbraw/zinc/02/28/26/563022826.db2.gz IVZIIWNEAMMPEW-AHKZPQOWSA-N 0 0 477.580 3.354 1 0 JGAFRN COc1ccc(OC[C@H](O)CN2CCN([C@H](CNC(=O)c3ccccc3)c3ccccc3)CC2)cc1 ZINC000026165511 563022998 /nfs/dbraw/zinc/02/29/98/563022998.db2.gz DUVOINUOAIPORF-LEAFIULHSA-N 0 0 489.616 3.224 1 0 JGAFRN COc1ccc(OC[C@H](O)CN2CCN([C@@H](CNC(=O)c3ccccc3)c3ccccc3)CC2)cc1 ZINC000026165501 563023015 /nfs/dbraw/zinc/02/30/15/563023015.db2.gz DUVOINUOAIPORF-NAKRPHOHSA-N 0 0 489.616 3.224 1 0 JGAFRN CC[C@H](C(=O)N1CCC(CC(=O)[O-])CC1)[C@@H](NC(=O)c1ccc(C(N)=[NH2+])cc1)c1ccccc1 ZINC000026183400 563023845 /nfs/dbraw/zinc/02/38/45/563023845.db2.gz RFADRVOJKREBDT-GMAHTHKFSA-N 0 0 464.566 3.181 1 0 JGAFRN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)COc2cccnc2)cc1)c1cnc2ccccc2c1 ZINC000026189759 563024333 /nfs/dbraw/zinc/02/43/33/563024333.db2.gz HOOJNACMGWJRMJ-QFIPXVFZSA-N 0 0 478.574 3.003 1 0 JGAFRN CC(=O)O[C@H]1[C@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)OC[C@@H]1OC(C)=O ZINC000026499131 563028990 /nfs/dbraw/zinc/02/89/90/563028990.db2.gz GTVHXHHTVLNHNP-BFHYXJOUSA-N 0 0 452.088 3.498 1 0 JGAFRN CC(C)[C@H](C(=O)N1CCC(CC(=O)[O-])CC1)[C@@H](NC(=O)c1ccc(C(N)=[NH2+])cc1)c1ccccc1 ZINC000026254532 563024519 /nfs/dbraw/zinc/02/45/19/563024519.db2.gz SSPVGGBQEJMAQB-ZEQRLZLVSA-N 0 0 478.593 3.427 1 0 JGAFRN 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