smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCc1cn([C@@H](c2scnc2C)c2ccccc2)nn1 ZINC000095554468 185007963 /nfs/dbraw/zinc/00/79/63/185007963.db2.gz QGNVUDBUBGDCNR-OAHLLOKOSA-N 0 0 298.415 3.633 1 0 CHAFRN COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1ccc[nH]1 ZINC000095552667 185008270 /nfs/dbraw/zinc/00/82/70/185008270.db2.gz XJDIRFYUCDVZPF-YVLHZVERSA-N 0 0 289.338 3.870 1 0 CHAFRN CN1c2ccccc2S[C@@H](c2cccs2)CC1=O ZINC000095562129 185008827 /nfs/dbraw/zinc/00/88/27/185008827.db2.gz PANQJUNLWDQQAL-CYBMUJFWSA-N 0 0 275.398 3.948 1 0 CHAFRN O=c1cc(-c2ccccc2)oc2ccc3c(c12)C=CCO3 ZINC000095603494 185015208 /nfs/dbraw/zinc/01/52/08/185015208.db2.gz MLKMZXXASLGEPG-UHFFFAOYSA-N 0 0 276.291 3.866 1 0 CHAFRN Cc1cc2[nH]c(C(=O)NC3CCCCCC3)nc2c(C)c1 ZINC000095601923 185015195 /nfs/dbraw/zinc/01/51/95/185015195.db2.gz DXNQVNDMQBOUMM-UHFFFAOYSA-N 0 0 285.391 3.632 1 0 CHAFRN CC(=O)c1c(C)oc2c1cc1c(C)cc(=O)oc1c2C ZINC000095597392 185015337 /nfs/dbraw/zinc/01/53/37/185015337.db2.gz JXDPEOGAUHLCSN-UHFFFAOYSA-N 0 0 270.284 3.667 1 0 CHAFRN O=c1[nH]c(-c2cccc(NCCc3ccccc3)c2)cs1 ZINC000095601915 185015597 /nfs/dbraw/zinc/01/55/97/185015597.db2.gz VPQQNSZGCWXZPG-UHFFFAOYSA-N 0 0 296.395 3.758 1 0 CHAFRN c1ncn(Cc2c3ccccc3oc2-c2ccccc2)n1 ZINC000096910421 185129032 /nfs/dbraw/zinc/12/90/32/185129032.db2.gz QHCMTAOCIFDLQR-UHFFFAOYSA-N 0 0 275.311 3.740 1 0 CHAFRN c1cc2c(ncnc2-c2c[nH]c3ccccc32)s1 ZINC000096909553 185129203 /nfs/dbraw/zinc/12/92/03/185129203.db2.gz KCTCYMMHINFSKB-UHFFFAOYSA-N 0 0 251.314 3.840 1 0 CHAFRN C[C@]1(/C=C/c2ccc(C(F)(F)F)cc2)C=CC(=O)O1 ZINC000096921227 185130770 /nfs/dbraw/zinc/13/07/70/185130770.db2.gz MSGCEMHJWWSMJV-CFNZNRNTSA-N 0 0 268.234 3.590 1 0 CHAFRN c1ccc2c(c1)[nH]c1c2CN=C(N2CCCCC2)S1 ZINC000096938443 185133134 /nfs/dbraw/zinc/13/31/34/185133134.db2.gz YLMJHHYMZGXTQW-UHFFFAOYSA-N 0 0 271.389 3.616 1 0 CHAFRN Cc1ccc(/N=c2\nc(-c3ccccc3)n(C)s2)cc1 ZINC000103169484 185813612 /nfs/dbraw/zinc/81/36/12/185813612.db2.gz NUBVUAYTDDQPJH-WUKNDPDISA-N 0 0 281.384 3.689 1 0 CHAFRN Fc1ccc(C2=NOCc3ccccc32)cc1Cl ZINC000103187132 185814947 /nfs/dbraw/zinc/81/49/47/185814947.db2.gz BDXLDTLTAFWQKM-UHFFFAOYSA-N 0 0 261.683 3.762 1 0 CHAFRN CC(=O)O[C@H]1/C=C(\C)Cc2occ(C)c2C/C=C(\C)C1 ZINC000085648417 290870475 /nfs/dbraw/zinc/87/04/75/290870475.db2.gz VIAGREYUICSQGX-XWJIOJLKSA-N 0 0 274.360 3.901 1 0 biogenic,in-vitro CHAFRN CC/C=C\C/C=C\CC/C=C/C=C/C(=O)N[C@H](O)C(C)C ZINC000033831748 290870512 /nfs/dbraw/zinc/87/05/12/290870512.db2.gz BUOFMLFXULBHJK-LFGVEAMDSA-N 0 0 291.435 3.882 1 0 biogenic,in-vitro CHAFRN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H](CCO)C[C@H]3CC[C@]12C ZINC000169321638 188658144 /nfs/dbraw/zinc/65/81/44/188658144.db2.gz OOTXTVKIKCULJJ-GVLSGGHMSA-N 0 0 278.436 3.817 1 0 CHAFRN Cc1nn(-c2cc(C)c3ccccc3n2)c2c1CCC2 ZINC000000195092 169570785 /nfs/dbraw/zinc/57/07/85/169570785.db2.gz FVPZCMUCLSCJRP-UHFFFAOYSA-N 0 0 263.344 3.526 3 0 CHAFRN Oc1cccc2[nH]cc(CCN3CCCc4ccccc43)c21 ZINC000028528935 134752615 /nfs/dbraw/zinc/75/26/15/134752615.db2.gz QLWAKNNMOFDNHB-UHFFFAOYSA-N 0 0 292.382 3.869 1 0 CHAFRN CC1CCN(C(=O)[C@H](Cc2ccccc2)n2cccc2)CC1 ZINC000005055313 170062038 /nfs/dbraw/zinc/06/20/38/170062038.db2.gz SGMAGCCSTKAITA-SFHVURJKSA-N 0 0 296.414 3.530 3 0 CHAFRN COC(=O)c1cc2occc2n1Cc1cccc(Cl)c1 ZINC000005084489 170064925 /nfs/dbraw/zinc/06/49/25/170064925.db2.gz VKQDQHUCEXLIQM-UHFFFAOYSA-N 0 0 289.718 3.723 1 0 CHAFRN C[C@H]1[C@H](NC(=O)CSC2CCCCC2)CCC[C@@H]1C ZINC000005413532 170095915 /nfs/dbraw/zinc/09/59/15/170095915.db2.gz SFXALVROQZPZLU-GZBFAFLISA-N 0 0 283.481 3.993 1 0 CHAFRN CCN(CC)C(=O)C[C@]12CCCCC1=Nc1ccccc12 ZINC000005807543 170141676 /nfs/dbraw/zinc/14/16/76/170141676.db2.gz SDFGIUVJNPWOFB-SFHVURJKSA-N 0 0 284.403 3.843 1 0 CHAFRN CCCCN1c2ccccc2N(C)C(=O)c2cccnc21 ZINC000005838013 170145410 /nfs/dbraw/zinc/14/54/10/170145410.db2.gz AVXBKVJHVBCJBB-UHFFFAOYSA-N 0 0 281.359 3.610 1 0 CHAFRN CC(C)n1c2ccc3nc(N)nc(N)c3c2cc1C(C)(C)C ZINC000005882456 170149850 /nfs/dbraw/zinc/14/98/50/170149850.db2.gz MNNFNNXYNRMMNE-UHFFFAOYSA-N 0 0 297.406 3.627 1 0 CHAFRN O=c1cc(-c2ccccc2)nc(SC2CCCCC2)[nH]1 ZINC000005974758 170164812 /nfs/dbraw/zinc/16/48/12/170164812.db2.gz LEAQZZVQIKOKIK-UHFFFAOYSA-N 0 0 286.400 3.862 1 0 CHAFRN COc1ccc(-c2cc(=O)c3ccc(F)cc3o2)cc1 ZINC000006484554 170205059 /nfs/dbraw/zinc/20/50/59/170205059.db2.gz STGBQHUMAHPOBT-UHFFFAOYSA-N 0 0 270.259 3.608 1 0 in-vivo CHAFRN Cc1cc(O)c(Sc2ccc(Cl)cc2)c(=O)[nH]1 ZINC000006493710 170206718 /nfs/dbraw/zinc/20/67/18/170206718.db2.gz SNUWYJUOSNCAPV-UHFFFAOYSA-N 0 0 267.737 3.606 3 0 CHAFRN CCC[C@H]1[C@H](c2ccco2)N[C@@H](c2ccco2)C[C@@]1(C)O ZINC000006576844 170215452 /nfs/dbraw/zinc/21/54/52/170215452.db2.gz KRWCRLSHEPHBQC-NSNWQYSKSA-N 0 0 289.375 3.816 1 0 CHAFRN O=C1c2ccccc2N=C1C1C(=O)Nc2ccc(Cl)cc21 ZINC000006582966 170215688 /nfs/dbraw/zinc/21/56/88/170215688.db2.gz RUTNUZIYAWTMEA-UHFFFAOYSA-N 0 0 296.713 3.844 1 0 CHAFRN O=C1N(c2ccccc2)[C@H](c2ccccc2)C1(Cl)Cl ZINC000006665971 170224246 /nfs/dbraw/zinc/22/42/46/170224246.db2.gz PIHNKLOEPGZEGT-CYBMUJFWSA-N 0 0 292.165 3.948 1 0 CHAFRN COC(=O)c1cc2oc(C)cc2n1Cc1ccc(C)cc1 ZINC000006921109 170255312 /nfs/dbraw/zinc/25/53/12/170255312.db2.gz XFENGYRHYCIOFQ-UHFFFAOYSA-N 0 0 283.327 3.686 1 0 CHAFRN CO[C@@H](c1ccccc1Br)[C@H](C)/C=C/CCO ZINC000007992466 170312398 /nfs/dbraw/zinc/31/23/98/170312398.db2.gz YXRMVXHKSKJZSV-VSACJYGBSA-N 0 0 299.208 3.711 1 0 CHAFRN c1ccc2c(c1)Cc1cc3cc4c(cc3nc1-2)OCO4 ZINC000007991703 170312415 /nfs/dbraw/zinc/31/24/15/170312415.db2.gz VFKPWBIWEWCUNE-UHFFFAOYSA-N 0 0 261.280 3.535 1 0 CHAFRN c1ccn(Nc2nc(-c3ccccc3)nc3ccccc32)c1 ZINC000012360747 170479359 /nfs/dbraw/zinc/47/93/59/170479359.db2.gz VMQRHBIXLCYAHL-UHFFFAOYSA-N 0 0 286.338 3.974 1 0 CHAFRN CCCOc1ccc2cc(-c3ccccn3)c(=O)oc2c1 ZINC000012511420 170492297 /nfs/dbraw/zinc/49/22/97/170492297.db2.gz PAZIHTHAUMFBEB-UHFFFAOYSA-N 0 0 281.311 3.644 3 0 CHAFRN Oc1ccc2ncnc(NCCc3ccc(Cl)cc3)c2c1 ZINC000013476444 170554470 /nfs/dbraw/zinc/55/44/70/170554470.db2.gz ZFJVMWADQCQDFN-UHFFFAOYSA-N 0 0 299.761 3.643 1 0 CHAFRN COc1ccc(-c2ccc3c(c2)Cc2sc(N)nc2-3)cc1 ZINC000013652963 170574218 /nfs/dbraw/zinc/57/42/18/170574218.db2.gz BKERCHGGVRDPER-UHFFFAOYSA-N 0 0 294.379 3.972 1 0 CHAFRN CC(C)c1cccc2c1S(=O)(=O)c1ccccc1O2 ZINC000026266522 171477762 /nfs/dbraw/zinc/47/77/62/171477762.db2.gz IQSMDRLICYKORQ-UHFFFAOYSA-N 0 0 274.341 3.749 1 0 CHAFRN CCc1ccccc1Nc1nccc(-c2ccncc2)n1 ZINC000026648109 171494368 /nfs/dbraw/zinc/49/43/68/171494368.db2.gz UDEDWCLPSBFLLS-UHFFFAOYSA-N 0 0 276.343 3.845 1 0 CHAFRN Fc1ccc(-c2c3n(nc2-c2ccccn2)CCC3)cc1 ZINC000027181762 171509450 /nfs/dbraw/zinc/50/94/50/171509450.db2.gz ASRLFBGOPXVFBZ-UHFFFAOYSA-N 0 0 279.318 3.697 1 0 CHAFRN CO[C@@H]1O[C@@H](OC)[C@H]2C1=CC[C@H]1C(C)(C)CCC[C@]21C ZINC000027551745 171520462 /nfs/dbraw/zinc/52/04/62/171520462.db2.gz HYRVHIVQEKPZTE-GHYKFQNRSA-N 0 0 280.408 3.741 1 0 CHAFRN CC1(C)C(=O)CC[C@H]1[C@@H]1CCc2cc(O)ccc2C1 ZINC000028257088 171554058 /nfs/dbraw/zinc/55/40/58/171554058.db2.gz YCFAHAVTQJAJHY-HIFRSBDPSA-N 0 0 258.361 3.502 1 0 CHAFRN COc1ccc2c(c1)CC[C@@H]([C@@H]1CCC(=O)C1(C)C)C2 ZINC000028255991 171554149 /nfs/dbraw/zinc/55/41/49/171554149.db2.gz NDPXRSHSFWLRGL-ZBFHGGJFSA-N 0 0 272.388 3.805 1 0 CHAFRN C[C@@H]1CNC(=O)c2[nH]c3ccc(-c4ccccc4)cc3c21 ZINC000028901780 171580397 /nfs/dbraw/zinc/58/03/97/171580397.db2.gz UJXQNOBWNNYANY-LLVKDONJSA-N 0 0 276.339 3.682 1 0 CHAFRN O[C@@H](CCn1ccnc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000029335736 171594614 /nfs/dbraw/zinc/59/46/14/171594614.db2.gz PCMMMQDSGFPVMN-IBGZPJMESA-N 0 0 290.366 3.578 1 0 CHAFRN Cn1c(/C=C/c2ccccc2)nc(=O)c2cc(Cl)ccc21 ZINC000029463984 171599349 /nfs/dbraw/zinc/59/93/49/171599349.db2.gz JJQDORNVSNGYDP-JXMROGBWSA-N 0 0 296.757 3.757 1 0 CHAFRN COc1cc(C(C)C)c2cc(C)c(O)c3c2c1C(=O)O3 ZINC000038877901 174158869 /nfs/dbraw/zinc/15/88/69/174158869.db2.gz XSUYKFNENYNSMG-UHFFFAOYSA-N 0 0 272.300 3.518 1 0 biogenic,in-vitro CHAFRN Nc1ccc(OC23CC4CC(CC(C4)C2)C3)c(F)c1 ZINC000039239910 174166951 /nfs/dbraw/zinc/16/69/51/174166951.db2.gz MKLNKBSXRUHJSE-UHFFFAOYSA-N 0 0 261.340 3.756 1 0 CHAFRN Cc1ccccc1N1c2ccccc2/C(=C/N(C)C)C1=O ZINC000039613735 174170982 /nfs/dbraw/zinc/17/09/82/174170982.db2.gz ZWYJJXVNZAZDBX-QINSGFPZSA-N 0 0 278.355 3.576 1 0 CHAFRN Cc1cc2cccc3c2c(c1O)C(=O)c1c(O)cccc1-3 ZINC000040394361 174252578 /nfs/dbraw/zinc/25/25/78/174252578.db2.gz LGHMJRHHYVWCBH-UHFFFAOYSA-N 0 0 276.291 3.771 1 0 CHAFRN COC(=O)c1ccc(CN(C)c2cccc(Cl)c2)cc1 ZINC000040412501 174255260 /nfs/dbraw/zinc/25/52/60/174255260.db2.gz AZYDKNQQCPWNAA-UHFFFAOYSA-N 0 0 289.762 3.763 1 0 CHAFRN Cc1ccc2c(c1)[C@H](n1cccc1)c1cccnc1CC2 ZINC000040556598 174330942 /nfs/dbraw/zinc/33/09/42/174330942.db2.gz WFMIHCHPQSNNLU-LJQANCHMSA-N 0 0 274.367 3.928 1 0 CHAFRN c1ccc(CC[C@H]2CC(c3ccccc3)=NO2)cc1 ZINC000042878001 174901129 /nfs/dbraw/zinc/90/11/29/174901129.db2.gz TZDOYGNKUHNWJP-INIZCTEOSA-N 0 0 251.329 3.812 1 0 CHAFRN Cc1c(CCc2cccc(F)c2F)[nH]c2ccccc2c1=O ZINC000045190529 175326110 /nfs/dbraw/zinc/32/61/10/175326110.db2.gz BOMVXHIUFIELAL-UHFFFAOYSA-N 0 0 299.320 3.900 1 0 CHAFRN Cc1ccc(-c2cc(=O)c3ccc(F)cc3o2)cc1 ZINC000045356100 175362081 /nfs/dbraw/zinc/36/20/81/175362081.db2.gz NGYCVQPULTXSDL-UHFFFAOYSA-N 0 0 254.260 3.908 1 0 in-vivo CHAFRN CCOC(=O)[C@H]1CC[C@H](c2ccc(N)cc2)c2ccccc21 ZINC000071318256 176121936 /nfs/dbraw/zinc/12/19/36/176121936.db2.gz SMCOHZPQPQVAOF-QAPCUYQASA-N 0 0 295.382 3.841 1 0 CHAFRN CCC(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000071318666 176122068 /nfs/dbraw/zinc/12/20/68/176122068.db2.gz LQUUASGPIJCYJS-UHFFFAOYSA-N 0 0 266.300 3.843 1 0 CHAFRN CCCCCNc1nc(SCC)nc2ncccc21 ZINC000072179158 176334658 /nfs/dbraw/zinc/33/46/58/176334658.db2.gz ZRQQYNXXSNEDCZ-UHFFFAOYSA-N 0 0 276.409 3.739 1 0 CHAFRN Cc1cn(Cc2coc(-c3ccccc3Cl)n2)cn1 ZINC000072181592 176335376 /nfs/dbraw/zinc/33/53/76/176335376.db2.gz NOPGIEBCNSVLRD-UHFFFAOYSA-N 0 0 273.723 3.548 1 0 CHAFRN CCOC(=O)N1CC[C@H]2C[C@@H]1c1cc(Cl)ccc12 ZINC000061942399 520968815 /nfs/dbraw/zinc/96/88/15/520968815.db2.gz MYPHMMPQFJMVAW-TVQRCGJNSA-N 0 0 265.740 3.731 1 0 CHAFRN O=C1CCCc2[nH]c3cc(C(F)(F)F)ccc3c21 ZINC000053314105 526984794 /nfs/dbraw/zinc/98/47/94/526984794.db2.gz ROYFRBCCGJQOEY-UHFFFAOYSA-N 0 0 253.223 3.706 1 0 CHAFRN O=C(Nc1ccccc1Cl)c1noc2ccccc21 ZINC000049111478 527418321 /nfs/dbraw/zinc/41/83/21/527418321.db2.gz BRRQXQHULRURAR-UHFFFAOYSA-N 0 0 272.691 3.734 1 0 CHAFRN Nc1ncc(-c2cccnc2)cc1-c1nc2ccccc2o1 ZINC000053243348 527562255 /nfs/dbraw/zinc/56/22/55/527562255.db2.gz HMFZGCYBVYOBFY-UHFFFAOYSA-N 0 0 288.310 3.534 1 0 CHAFRN C/C=C(\C)C(=O)Oc1cc(C)ccc1[C@H](C)COC(C)=O ZINC000014588609 560222639 /nfs/dbraw/zinc/22/26/39/560222639.db2.gz NZQYJWRRXAUWML-XEVNVYFWSA-N 0 0 290.359 3.533 1 0 biogenic,in-vitro CHAFRN COc1ccc(C/C=C/c2ccccc2)c(OC)c1O ZINC000014652332 560224022 /nfs/dbraw/zinc/22/40/22/560224022.db2.gz NLIRIZDPMWYEPR-RMKNXTFCSA-N 0 0 270.328 3.665 1 0 biogenic,in-vitro CHAFRN COc1c(O)c(C=O)c2c(O)cc(C)cc2c1C(C)C ZINC000014777142 560226239 /nfs/dbraw/zinc/22/62/39/560226239.db2.gz XOXRFBVTHNRDNY-UHFFFAOYSA-N 0 0 274.316 3.504 1 0 biogenic,in-vitro CHAFRN Cc1ccccc1NC(=O)[C@H]1[C@@H]2C=CCCCC[C@H]12 ZINC000000052807 567817070 /nfs/dbraw/zinc/81/70/70/567817070.db2.gz RNYCSAMRETXICK-YCPHGPKFSA-N 0 0 255.361 3.926 1 0 CHAFRN C=C1c2ccccc2C(=O)N(C)c2ccc(C(C)=O)cc21 ZINC000095556183 185008136 /nfs/dbraw/zinc/00/81/36/185008136.db2.gz XLPHZTCBPKMHIB-UHFFFAOYSA-N 0 0 277.323 3.541 1 0 CHAFRN C=C1c2ccccc2C(=O)N(C)c2ccc(CC)cc21 ZINC000095554941 185008585 /nfs/dbraw/zinc/00/85/85/185008585.db2.gz BGVIGGHVNBLYIS-UHFFFAOYSA-N 0 0 263.340 3.901 1 0 CHAFRN Oc1cccc(Oc2ccc(-c3cccc(O)c3)nc2)c1 ZINC000095571698 185010202 /nfs/dbraw/zinc/01/02/02/185010202.db2.gz YQDXWRKPNBTQMB-UHFFFAOYSA-N 0 0 279.295 3.952 1 0 CHAFRN Fc1ccc(C2=NO[C@H]3CCC[C@@H]23)cc1C(F)(F)F ZINC000095573200 185010484 /nfs/dbraw/zinc/01/04/84/185010484.db2.gz RRDKIHQMLZBNGP-KCJUWKMLSA-N 0 0 273.229 3.748 1 0 CHAFRN CCN(C)c1cc2c(c3c1ccn3C)[C@H]1CC[C@@H]2C1 ZINC000095571175 185010769 /nfs/dbraw/zinc/01/07/69/185010769.db2.gz URTBRQOFNSFRAF-NEPJUHHUSA-N 0 0 254.377 3.999 1 0 CHAFRN CCCSc1ncccc1C(=O)NC1CCCCC1 ZINC000095576680 185011014 /nfs/dbraw/zinc/01/10/14/185011014.db2.gz DGJDGJQCZWAUMC-UHFFFAOYSA-N 0 0 278.421 3.646 1 0 CHAFRN O=C(NCCC1CCCCC1)Nc1ccc2n[nH]cc2c1 ZINC000095581611 185011323 /nfs/dbraw/zinc/01/13/23/185011323.db2.gz KPYSXLBVAPSHEK-UHFFFAOYSA-N 0 0 286.379 3.655 1 0 CHAFRN CC(C)c1cccc(C(C)C)c1OC(=O)CCCO ZINC000095590741 185013727 /nfs/dbraw/zinc/01/37/27/185013727.db2.gz UVTAVZWIKRJESO-UHFFFAOYSA-N 0 0 264.365 3.611 1 0 CHAFRN Cc1cc2c(cc(C(=O)NC3CCCCC3)n2C)c(C)c1 ZINC000095604415 185015689 /nfs/dbraw/zinc/01/56/89/185015689.db2.gz OVNZZBXJOSCOGB-UHFFFAOYSA-N 0 0 284.403 3.858 1 0 CHAFRN Cc1sc2[nH]c(-c3cc4ccccc4[nH]3)nc(=O)c2c1C ZINC000096907900 185127422 /nfs/dbraw/zinc/12/74/22/185127422.db2.gz CJILHOQRICFFFA-UHFFFAOYSA-N 0 0 295.367 3.750 1 0 CHAFRN CC(C)C[C@@H](O)c1cc2c(o1)c(N)nc1ccccc21 ZINC000096914100 185129018 /nfs/dbraw/zinc/12/90/18/185129018.db2.gz MCAHEFBWYOQTFB-CYBMUJFWSA-N 0 0 270.332 3.643 1 0 CHAFRN CC[C@@H]1CN(c2ccccc2)C(=O)[C@H]1c1cccc(F)c1 ZINC000103190605 185814894 /nfs/dbraw/zinc/81/48/94/185814894.db2.gz ASYKKOBFAGXIAZ-CXAGYDPISA-N 0 0 283.346 3.982 1 0 CHAFRN Cc1cc(C)nc(-n2nc(C(C)C)cc2C(C)C)n1 ZINC000103197982 185815924 /nfs/dbraw/zinc/81/59/24/185815924.db2.gz VVRJRSUFTKWXQM-UHFFFAOYSA-N 0 0 258.369 3.526 1 0 CHAFRN CCc1nncn1-c1ccc2nc(-c3ccccc3)oc2c1 ZINC000103290483 185826728 /nfs/dbraw/zinc/82/67/28/185826728.db2.gz KKJDBHFDPNESEI-UHFFFAOYSA-N 0 0 290.326 3.638 1 0 CHAFRN C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@H]2O ZINC000025966301 290873315 /nfs/dbraw/zinc/87/33/15/290873315.db2.gz VOXZDWNPVJITMN-IGKNDFSCSA-N 0 0 272.388 3.609 1 0 biogenic,in-vitro CHAFRN CC[C@]1(C(=O)N[C@H](C)C2CCCC2)[C@@H](C)C1(Cl)Cl ZINC000169318412 188657520 /nfs/dbraw/zinc/65/75/20/188657520.db2.gz JKRTUBSEMHZXOU-GIPNMCIBSA-N 0 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/nfs/dbraw/zinc/47/66/21/171476621.db2.gz MWSFYJYQCNGZNB-UHFFFAOYSA-N 0 0 263.296 3.827 1 0 CHAFRN C[C@H](c1ccccc1)n1cnc2c1ncnc2-c1ccco1 ZINC000028470074 171559821 /nfs/dbraw/zinc/55/98/21/171559821.db2.gz UOLSTMHRNKRFFR-GFCCVEGCSA-N 0 0 290.326 3.696 1 0 CHAFRN O=C1NCc2c1c1c(c3[nH]c4ccc(Cl)cc4c23)CCC1 ZINC000028569878 171564336 /nfs/dbraw/zinc/56/43/36/171564336.db2.gz KPLKXKHWRLQXTB-UHFFFAOYSA-N 0 0 296.757 3.707 1 0 CHAFRN O=c1cc(-c2ccccc2)[nH]c2ccc3[nH]ccc3c12 ZINC000028571813 171564866 /nfs/dbraw/zinc/56/48/66/171564866.db2.gz KPEBIZFOKQFEBS-UHFFFAOYSA-N 0 0 260.296 3.676 1 0 CHAFRN O=C(c1cc2ccc(O)cc2o1)c1cc2ccc(O)cc2o1 ZINC000028647211 171569239 /nfs/dbraw/zinc/56/92/39/171569239.db2.gz RMZPEAFTFQMIEY-UHFFFAOYSA-N 0 0 294.262 3.821 1 0 in-vivo CHAFRN COc1ccc(/C=C\c2ccc(OC)cc2OC)cc1 ZINC000028712369 171571535 /nfs/dbraw/zinc/57/15/35/171571535.db2.gz YHKPITYDEXXGGJ-DAXSKMNVSA-N 0 0 270.328 3.883 1 0 CHAFRN Cn1c2cc(Cl)c(Cl)cc2nc1CC(F)(F)F ZINC000028890475 171580035 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/nfs/dbraw/zinc/25/78/31/174257831.db2.gz ONOQOSFYUIJLAG-LBPRGKRZSA-N 0 0 290.366 3.992 1 0 CHAFRN Fc1cccc(Cl)c1C1=N[C@H](c2ccccc2)CO1 ZINC000040565897 174337494 /nfs/dbraw/zinc/33/74/94/174337494.db2.gz RIWHGTHUUNQISY-ZDUSSCGKSA-N 0 0 275.710 3.997 1 0 CHAFRN Nc1ccc(/C=C/c2cc3cc(O)ccc3o2)cc1 ZINC000040829512 174411841 /nfs/dbraw/zinc/41/18/41/174411841.db2.gz OPHAAUPEGGEPPB-XVNBXDOJSA-N 0 0 251.285 3.891 1 0 CHAFRN CC(C)=C[C@@H]1CC(=O)c2cc(Br)ccc2O1 ZINC000040862981 174425892 /nfs/dbraw/zinc/42/58/92/174425892.db2.gz DLNBLURGSJKPRL-SNVBAGLBSA-N 0 0 281.149 3.749 1 0 CHAFRN CN(C)c1ccccc1C(=O)c1ccc2ccccc2n1 ZINC000043010662 174940948 /nfs/dbraw/zinc/94/09/48/174940948.db2.gz DPKKKFDHPMPWGW-UHFFFAOYSA-N 0 0 276.339 3.532 1 0 CHAFRN CCc1oc2ccc(O)cc2c1C(=O)c1ccc(OC)cc1 ZINC000071329121 176124023 /nfs/dbraw/zinc/12/40/23/176124023.db2.gz SGVVHNKMIRZTLH-UHFFFAOYSA-N 0 0 296.322 3.940 1 0 CHAFRN CCCC[C@@](O)(c1ccc(Cl)cc1)c1cnccn1 ZINC000072103320 176315872 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/nfs/dbraw/zinc/82/02/38/185820238.db2.gz SZZFYDPKKTXIMU-MDZDMXLPSA-N 0 0 296.750 3.924 1 0 CHAFRN COP(=O)(OC)[C@@H](Nc1cc(C)on1)c1ccccc1 ZINC000103300003 185828367 /nfs/dbraw/zinc/82/83/67/185828367.db2.gz VHODVQCRAPIFON-CYBMUJFWSA-N 0 0 296.263 3.580 1 0 CHAFRN S=C(c1ccc(C2CCCCC2)cc1)N1CCOCC1 ZINC000103294460 185826982 /nfs/dbraw/zinc/82/69/82/185826982.db2.gz XDGWWWTVWHJTPL-UHFFFAOYSA-N 0 0 289.444 3.742 1 0 CHAFRN NC(=O)c1cc(-c2ccccc2)sc1Nc1ccccn1 ZINC000141594512 187910115 /nfs/dbraw/zinc/91/01/15/187910115.db2.gz VCCDHNSFGNKDHR-UHFFFAOYSA-N 0 0 295.367 3.653 1 0 CHAFRN CC1=C(c2ccccc2)CON(c2ccccc2)C1 ZINC000001629196 535238603 /nfs/dbraw/zinc/23/86/03/535238603.db2.gz OGKRBYPXSONUQW-UHFFFAOYSA-N 0 0 251.329 3.912 1 0 CHAFRN Cc1c2nc(NCc3cccnc3)sc2c(C)c(O)c1C ZINC000000007871 169505822 /nfs/dbraw/zinc/50/58/22/169505822.db2.gz CPOKLAZBYHVJKJ-UHFFFAOYSA-N 0 0 299.399 3.934 1 0 CHAFRN Cc1ccc2cc3cc(C(=O)NC(C)C)sc3nc2c1 ZINC000000428315 169638148 /nfs/dbraw/zinc/63/81/48/169638148.db2.gz GJUIPVGVTYUWDY-UHFFFAOYSA-N 0 0 284.384 3.896 1 0 CHAFRN CC(C)[C@H]1NC(=O)c2ccccc2N1c1ccccc1 ZINC000027652731 134751215 /nfs/dbraw/zinc/75/12/15/134751215.db2.gz BYFAYLRMDRFQNP-INIZCTEOSA-N 0 0 266.344 3.550 1 0 CHAFRN COc1cccc(-c2ccc3ncnc(NC4CC4)c3c2)c1 ZINC000004264517 169950883 /nfs/dbraw/zinc/95/08/83/169950883.db2.gz YBQNSQMWEYBTMA-UHFFFAOYSA-N 0 0 291.354 3.880 1 0 CHAFRN C[C@@H](NC(=O)c1cc2sccc2n1C)c1ccccc1 ZINC000005036421 170059351 /nfs/dbraw/zinc/05/93/51/170059351.db2.gz JAMJPASMSJEMMD-LLVKDONJSA-N 0 0 284.384 3.731 1 0 CHAFRN CC(=O)Oc1ccc2c(=O)cc(-c3ccccc3)sc2c1 ZINC000005883330 170149884 /nfs/dbraw/zinc/14/98/84/170149884.db2.gz FAUTUKLSZMVYLZ-UHFFFAOYSA-N 0 0 296.347 3.854 1 0 CHAFRN O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NCCc1ccc(Cl)cc1 ZINC000005950961 170160726 /nfs/dbraw/zinc/16/07/26/170160726.db2.gz FUSXZSSVLQIVHQ-ZNMIVQPWSA-N 0 0 291.822 3.825 1 0 CHAFRN O=C1N(c2ccccc2)[C@@H](c2ccccc2)C1(Cl)Cl ZINC000006665972 170223937 /nfs/dbraw/zinc/22/39/37/170223937.db2.gz PIHNKLOEPGZEGT-ZDUSSCGKSA-N 0 0 292.165 3.948 1 0 CHAFRN CO[C@H](c1ccccc1Br)[C@@H](C)/C=C/CCO ZINC000007992463 170312351 /nfs/dbraw/zinc/31/23/51/170312351.db2.gz YXRMVXHKSKJZSV-JMZAUNQWSA-N 0 0 299.208 3.711 1 0 CHAFRN S=c1[nH]c(-c2cccs2)nn1Cc1ccccc1 ZINC000013536840 170559859 /nfs/dbraw/zinc/55/98/59/170559859.db2.gz VUKQIJQKNREKTO-UHFFFAOYSA-N 0 0 273.386 3.717 1 0 CHAFRN CCc1c(CCO)nn(-c2ccccc2)c1-c1ccccc1 ZINC000013805830 170596291 /nfs/dbraw/zinc/59/62/91/170596291.db2.gz PFUUNMWVTPKJSF-UHFFFAOYSA-N 0 0 292.382 3.637 1 0 CHAFRN CCc1cc(/C=C\c2nc3ccccc3o2)c(=O)[nH]c1C ZINC000013826409 170601243 /nfs/dbraw/zinc/60/12/43/170601243.db2.gz BFGKJNDOSZZLHA-HJWRWDBZSA-N 0 0 280.327 3.557 1 0 CHAFRN CCCc1cccc2c1S(=O)(=O)c1ccccc1O2 ZINC000026254898 171476677 /nfs/dbraw/zinc/47/66/77/171476677.db2.gz LFXHHKXZKDEWFV-UHFFFAOYSA-N 0 0 274.341 3.578 1 0 CHAFRN Cc1c(Cl)cccc1N1c2ncccc2C(C)(C)C1=O ZINC000026645254 171494519 /nfs/dbraw/zinc/49/45/19/171494519.db2.gz ZUOXMVBBUVIRCH-UHFFFAOYSA-N 0 0 286.762 3.999 1 0 CHAFRN COc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2 ZINC000028373673 171557027 /nfs/dbraw/zinc/55/70/27/171557027.db2.gz CVJGVQVPEASPCK-UHFFFAOYSA-N 0 0 280.755 3.643 1 0 CHAFRN CCCc1nc2c(c3ccccc3nc2N)n1CC(C)C ZINC000028477605 171560458 /nfs/dbraw/zinc/56/04/58/171560458.db2.gz HTCIRCJCBAZYKO-UHFFFAOYSA-N 0 0 282.391 3.775 1 0 CHAFRN CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1 ZINC000028522596 171561812 /nfs/dbraw/zinc/56/18/12/171561812.db2.gz QOJRBIHRSMRTEP-KRWDZBQOSA-N 0 0 282.318 3.523 1 0 CHAFRN CCCCn1c(C)nnc1C12CC3CC(CC(C3)C1)C2 ZINC000029126676 171586786 /nfs/dbraw/zinc/58/67/86/171586786.db2.gz WTSYLZRTNSEWRY-UHFFFAOYSA-N 0 0 273.424 3.854 1 0 CHAFRN NC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccsc2)n1 ZINC000029407077 171597654 /nfs/dbraw/zinc/59/76/54/171597654.db2.gz NTLDPHVLGSXFAR-UHFFFAOYSA-N 0 0 293.351 3.544 1 0 CHAFRN CCC/C=C(\CCC)[C@H](NS(C)(=O)=O)c1ccccc1 ZINC000038179270 174135919 /nfs/dbraw/zinc/13/59/19/174135919.db2.gz ASJJDGLPWMMDDJ-UKYUDJEDSA-N 0 0 295.448 3.804 1 0 CHAFRN Oc1ccccc1CCC1=NO[C@@H](Cc2ccccc2)C1 ZINC000040424036 174258371 /nfs/dbraw/zinc/25/83/71/174258371.db2.gz OUZSDPWKZPHEBJ-KRWDZBQOSA-N 0 0 281.355 3.712 1 0 CHAFRN COc1c2ccoc2ccc1C1=NO[C@H](c2ccccn2)C1 ZINC000040763091 174397279 /nfs/dbraw/zinc/39/72/79/174397279.db2.gz UJTBXJGTTNLYGH-INIZCTEOSA-N 0 0 294.310 3.702 1 0 CHAFRN C[C@@H]1CN(Cc2ccc(-c3ccc(F)cc3)cc2)C(=O)O1 ZINC000040846238 174419114 /nfs/dbraw/zinc/41/91/14/174419114.db2.gz PNWVKPYOOCOTSW-GFCCVEGCSA-N 0 0 285.318 3.833 1 0 CHAFRN C[C@@H](Nc1cc(Cl)nc2ccnn21)c1ccccc1 ZINC000040893243 174428820 /nfs/dbraw/zinc/42/88/20/174428820.db2.gz BVPWVKUKBFNUNQ-SNVBAGLBSA-N 0 0 272.739 3.556 1 0 CHAFRN C[C@@H]1C(=O)c2cc(Cl)ccc2CN1C(C)(C)C ZINC000045245765 175336426 /nfs/dbraw/zinc/33/64/26/175336426.db2.gz FKPMMRLETAKLGP-SECBINFHSA-N 0 0 251.757 3.525 1 0 CHAFRN Cc1c(-c2ccc3ccccc3c2)nnn1-c1cccnc1 ZINC000045254091 175336738 /nfs/dbraw/zinc/33/67/38/175336738.db2.gz CDMACXOEZRVPAK-UHFFFAOYSA-N 0 0 286.338 3.791 1 0 CHAFRN O=C1Nc2c(ccc(Cl)c2Cl)/C1=C\c1ccncc1 ZINC000045298419 175354485 /nfs/dbraw/zinc/35/44/85/175354485.db2.gz PZTNREWJRCVTLK-JXMROGBWSA-N 0 0 291.137 3.881 1 0 CHAFRN O=c1cc(Cl)sn1-c1ccc(C(F)(F)F)cc1 ZINC000045302331 175354851 /nfs/dbraw/zinc/35/48/51/175354851.db2.gz PGUTTXFTWIWYJE-UHFFFAOYSA-N 0 0 279.670 3.571 1 0 CHAFRN O=C(Nc1ncc(F)s1)C1(c2ccc(Cl)cc2)CC1 ZINC000045349995 175361525 /nfs/dbraw/zinc/36/15/25/175361525.db2.gz FVCVNYALLPBLEP-UHFFFAOYSA-N 0 0 296.754 3.606 1 0 CHAFRN Cc1coc2cc(-c3cc(C)cc(C)c3)oc(=O)c12 ZINC000045365524 175362396 /nfs/dbraw/zinc/36/23/96/175362396.db2.gz NNLLFOOAFMPIIG-UHFFFAOYSA-N 0 0 254.285 3.978 1 0 CHAFRN CCCC(=O)Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 ZINC000045372874 175365152 /nfs/dbraw/zinc/36/51/52/175365152.db2.gz LOMLSBQUIMOHOR-SNAWJCMRSA-N 0 0 298.338 3.974 1 0 CHAFRN c1ccc2cc(-c3nn[nH]c3-c3ccncc3)ccc2c1 ZINC000071295366 176112145 /nfs/dbraw/zinc/11/21/45/176112145.db2.gz MTQPZJROIXYNGB-UHFFFAOYSA-N 0 0 272.311 3.687 1 0 CHAFRN CCOc1cccc2cc(-c3ccc(OC)cc3)c(=O)oc21 ZINC000071332727 176125956 /nfs/dbraw/zinc/12/59/56/176125956.db2.gz MZYDUIAIVPQMQY-UHFFFAOYSA-N 0 0 296.322 3.867 1 0 CHAFRN CCCCC[C@H](C)NCc1noc(-c2ccccc2)n1 ZINC000072101816 176315858 /nfs/dbraw/zinc/31/58/58/176315858.db2.gz XMNZHLOONQQOFE-ZDUSSCGKSA-N 0 0 273.380 3.795 1 0 CHAFRN CCN(CC)c1cc2c(c3c1ccn3C)[C@H]1CC[C@@H]2O1 ZINC000072104353 176316079 /nfs/dbraw/zinc/31/60/79/176316079.db2.gz AZDIPQKTLGHSDF-LSDHHAIUSA-N 0 0 270.376 3.931 1 0 CHAFRN COC(=O)c1ccc2[nH]cc(/C=C/c3cccnc3)c2c1 ZINC000072106450 176316603 /nfs/dbraw/zinc/31/66/03/176316603.db2.gz MKEJRYNWKSWFGM-SNAWJCMRSA-N 0 0 278.311 3.520 1 0 CHAFRN O=C(Nc1ccc(Cl)cc1)c1coc2ccccc2c1=O ZINC000072113105 176317734 /nfs/dbraw/zinc/31/77/34/176317734.db2.gz JNHOMPJUMGTTSC-UHFFFAOYSA-N 0 0 299.713 3.699 1 0 CHAFRN COc1cc2oc(=O)ccc2cc1-c1ccc(N(C)C)cc1 ZINC000072128608 176321188 /nfs/dbraw/zinc/32/11/88/176321188.db2.gz LEZCWHTWNGBHIP-UHFFFAOYSA-N 0 0 295.338 3.535 1 0 CHAFRN CC(C)c1cc(Cn2c3ccccc3c(=O)n2C(C)C)on1 ZINC000072139596 176322985 /nfs/dbraw/zinc/32/29/85/176322985.db2.gz DWCZJPOJLAKQST-UHFFFAOYSA-N 0 0 299.374 3.544 3 0 CHAFRN CC(=O)N(Cc1ccc2c(c1)C=CC(C)(C)O2)C(C)C ZINC000072178295 176333977 /nfs/dbraw/zinc/33/39/77/176333977.db2.gz LCPBNMQKTIGHHO-UHFFFAOYSA-N 0 0 273.376 3.628 1 0 CHAFRN Clc1ccccc1-c1nc(CN2CC=CCC2)co1 ZINC000072184216 176335085 /nfs/dbraw/zinc/33/50/85/176335085.db2.gz VOSPURYBDWUVHY-UHFFFAOYSA-N 0 0 274.751 3.757 1 0 CHAFRN CCCCc1ccc(-c2nc(C)c(C(=O)OC)o2)cc1 ZINC000072183671 176335236 /nfs/dbraw/zinc/33/52/36/176335236.db2.gz OBNPBIYLKJXUCZ-UHFFFAOYSA-N 0 0 273.332 3.779 1 0 CHAFRN COc1ccccc1NC(=O)c1cnc2c(C)csc2c1 ZINC000072323030 176369074 /nfs/dbraw/zinc/36/90/74/176369074.db2.gz VEBTVUNCDGIBNJ-UHFFFAOYSA-N 0 0 298.367 3.866 2 0 CHAFRN CC(C)(C)n1cc(C(=O)NC2CCCCC2)c2cccnc21 ZINC000072322944 176369367 /nfs/dbraw/zinc/36/93/67/176369367.db2.gz HGXYADFGAJHKSY-UHFFFAOYSA-N 0 0 299.418 3.854 2 0 CHAFRN Cc1csc2cc(C(=O)N3CCCC[C@@H]3C)cnc12 ZINC000072322919 176369369 /nfs/dbraw/zinc/36/93/69/176369369.db2.gz WXYFVWATEWERJC-NSHDSACASA-N 0 0 274.389 3.619 2 0 CHAFRN CC(C)CCNC(=O)c1cn(C(C)(C)C)c2ncccc12 ZINC000072323122 176369433 /nfs/dbraw/zinc/36/94/33/176369433.db2.gz LUNJNFBVNAJBAC-UHFFFAOYSA-N 0 0 287.407 3.567 2 0 CHAFRN COC(=O)c1cc2sccc2c(Nc2ccccc2)n1 ZINC000066099770 521924410 /nfs/dbraw/zinc/92/44/10/521924410.db2.gz IYTAFKFJVMFFJQ-UHFFFAOYSA-N 0 0 284.340 3.827 1 0 CHAFRN Cc1cc2c(ccc3c(=O)cc(-c4ccccc4)[nH]c23)[nH]1 ZINC000066259420 525618834 /nfs/dbraw/zinc/61/88/34/525618834.db2.gz NFBJOHGDKMEZOE-UHFFFAOYSA-N 0 0 274.323 3.985 1 0 CHAFRN Fc1ccccc1-c1cc2cc3c(cc2cn1)OCO3 ZINC000061968969 526404907 /nfs/dbraw/zinc/40/49/07/526404907.db2.gz IYKLIILGHRAUCL-UHFFFAOYSA-N 0 0 267.259 3.770 3 0 CHAFRN O=C(CCc1cnnn1C1CCCCC1)c1ccccc1 ZINC000049035590 526641795 /nfs/dbraw/zinc/64/17/95/526641795.db2.gz WLQXLMATBGNCGA-UHFFFAOYSA-N 0 0 283.375 3.599 1 0 CHAFRN CC[C@H](c1ccc(O)cn1)[C@H](C)c1ccc(O)cc1 ZINC000042921607 581094218 /nfs/dbraw/zinc/09/42/18/581094218.db2.gz FJEBOUIPWLCERS-ABAIWWIYSA-N 0 0 257.333 3.790 1 0 CHAFRN CC(C)(C)c1cc(C(=O)NC2CC2)cc2c1OCC2(C)C ZINC000013781009 581095072 /nfs/dbraw/zinc/09/50/72/581095072.db2.gz DARUDEIEANYQOK-UHFFFAOYSA-N 0 0 287.403 3.546 1 0 CHAFRN Cc1cc(F)cc(NC(=O)c2ccc3cccnc3c2O)c1 ZINC000095542628 185008644 /nfs/dbraw/zinc/00/86/44/185008644.db2.gz ADRIDSHRXIKJOM-UHFFFAOYSA-N 0 0 296.301 3.640 1 0 CHAFRN Cc1ncsc1[C@H](CO)c1ccc(-c2cccnc2)cc1 ZINC000095553066 185008761 /nfs/dbraw/zinc/00/87/61/185008761.db2.gz BZPIXDLAQDBHPH-MRXNPFEDSA-N 0 0 296.395 3.638 1 0 CHAFRN COc1cccc(Nc2n[nH]c3c2Cc2ccccc2-3)c1 ZINC000095582584 185012510 /nfs/dbraw/zinc/01/25/10/185012510.db2.gz LGVUDXPSQQHMDW-UHFFFAOYSA-N 0 0 277.327 3.733 1 0 CHAFRN CCCC[C@H](C)C/C(=C\[C@@]1(CC)OC(=O)C[C@@H]1O)CC ZINC000095587405 185013137 /nfs/dbraw/zinc/01/31/37/185013137.db2.gz AKYYOIDSLIDKRA-VOEWGANYSA-N 0 0 282.424 3.996 1 0 CHAFRN c1cn(Cc2cc3ccccc3n2-c2ccccc2)cn1 ZINC000095590202 185014174 /nfs/dbraw/zinc/01/41/74/185014174.db2.gz XSZOULSEKFQSOA-UHFFFAOYSA-N 0 0 273.339 3.875 1 0 CHAFRN CCCCn1c(C)c(C)cc(NC(=O)c2ccccc2)c1=O ZINC000095605498 185015031 /nfs/dbraw/zinc/01/50/31/185015031.db2.gz HCQDNHCJTNBENO-UHFFFAOYSA-N 0 0 298.386 3.518 1 0 CHAFRN O=c1cccc2oc(-c3ccc4c(c3)OCC=C4)cc(O)c1-2 ZINC000095604428 185015157 /nfs/dbraw/zinc/01/51/57/185015157.db2.gz XIGHIIJSZRNJSA-UHFFFAOYSA-N 0 0 292.290 3.571 1 0 CHAFRN CC(C)(C)/C(=C/c1ccccc1)C(=O)n1ccnc1 ZINC000103183222 185813711 /nfs/dbraw/zinc/81/37/11/185813711.db2.gz QDSMLEMTSGOLMZ-SDNWHVSQSA-N 0 0 254.333 3.653 1 0 CHAFRN O=C1O/C(=C\c2cccc(F)c2)C=C1Cc1ccccc1 ZINC000103201172 185815920 /nfs/dbraw/zinc/81/59/20/185815920.db2.gz SXRAJIRGJCKQJB-BOPFTXTBSA-N 0 0 280.298 3.893 1 0 CHAFRN CCCCN1CCC[C@@]2(C)[C@]3(C)CCC[C@]12OC(=O)C3 ZINC000169351305 188660927 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c1c(CCc2ccccc2)nnn1CC1CCCCC1 ZINC000072124972 176320408 /nfs/dbraw/zinc/32/04/08/176320408.db2.gz CIWTVOZQKCZQLZ-UHFFFAOYSA-N 0 0 269.392 3.644 1 0 CHAFRN O=C1C=CC[C@H](C(c2ccccc2)c2ccccc2)O1 ZINC000072124396 176320664 /nfs/dbraw/zinc/32/06/64/176320664.db2.gz PVORHLREYCCDKE-MRXNPFEDSA-N 0 0 264.324 3.690 1 0 CHAFRN Cc1cn(Cc2coc(-c3ccccc3C)n2)c(C)n1 ZINC000072179952 176334442 /nfs/dbraw/zinc/33/44/42/176334442.db2.gz XUOLEAQQJZEMQP-UHFFFAOYSA-N 0 0 267.332 3.512 1 0 CHAFRN CCCCCC[C@@H]1CN(c2cccc(N)c2)C(=O)O1 ZINC000049070973 520123120 /nfs/dbraw/zinc/12/31/20/520123120.db2.gz ODILAZQKVLULQT-CQSZACIVSA-N 0 0 262.353 3.564 1 0 CHAFRN Cc1ccccc1-c1c[nH]c([C@@H](O)c2ccc(F)cc2C)n1 ZINC000061904274 525000772 /nfs/dbraw/zinc/00/07/72/525000772.db2.gz UHQRJYIJJJENTR-KRWDZBQOSA-N 0 0 296.345 3.914 3 0 CHAFRN O=C1CCc2cc(OCc3cccc(Cl)c3)ccc2N1 ZINC000049129559 526997673 /nfs/dbraw/zinc/99/76/73/526997673.db2.gz ZOOFQUITRAUISA-UHFFFAOYSA-N 0 0 287.746 3.804 1 0 CHAFRN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O ZINC000013298301 574413032 /nfs/dbraw/zinc/41/30/32/574413032.db2.gz CBMYJHIOYJEBSB-QWQVMCIESA-N 0 0 292.463 3.751 3 0 endogenous,in-man CHAFRN Cc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2 ZINC000028128452 581091553 /nfs/dbraw/zinc/09/15/53/581091553.db2.gz HYDXXPVGBRPGNW-UHFFFAOYSA-N 0 0 273.339 3.605 1 0 CHAFRN CC(C)c1cnc(NC(=O)Oc2ccccc2)s1 ZINC000028455783 581091801 /nfs/dbraw/zinc/09/18/01/581091801.db2.gz GUXNGWHIXHZIEH-UHFFFAOYSA-N 0 0 262.334 3.877 1 0 CHAFRN