smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(-c2ccccc2)cc2c1C(=O)c1ccccc1C2=O ZINC000096934752 185133197 /nfs/dbraw/zinc/13/31/97/185133197.db2.gz QDPICAXDBSWXBF-UHFFFAOYSA-N 0 0 299.329 3.832 1 10 CHCFRN CCOC(=O)[C@H](CCc1ccc(N)cc1)c1ccccc1 ZINC000071330214 176124172 /nfs/dbraw/zinc/12/41/72/176124172.db2.gz YGGQJVKNEPLKQJ-QGZVFWFLSA-N 0 0 283.371 3.548 1 10 CHCFRN COc1ccc(OC)c(NN=C2C=CC(OC)=CC2=O)c1 ZINC000095564008 185010720 /nfs/dbraw/zinc/01/07/20/185010720.db2.gz AZOCDJNYVNRIMS-WUKNDPDISA-N 0 0 288.303 3.833 1 10 CHCFRN Cc1nc2c(c3c1C(=O)c1ccccc1C3=O)CCC[C@H]2C ZINC000169306906 188656383 /nfs/dbraw/zinc/65/63/83/188656383.db2.gz FTRPCQUOUNCHNJ-SNVBAGLBSA-N 0 0 291.350 3.605 1 10 CHCFRN CCOC(=O)[C@@H](CCc1ccc(N)cc1)c1ccccc1 ZINC000071330212 176124165 /nfs/dbraw/zinc/12/41/65/176124165.db2.gz YGGQJVKNEPLKQJ-KRWDZBQOSA-N 0 0 283.371 3.548 1 10 CHCFRN CN1N=C(c2ccc(O)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096921826 185130880 /nfs/dbraw/zinc/13/08/80/185130880.db2.gz NOCNSQXLPHAYGB-MRXNPFEDSA-N 0 0 286.762 3.827 1 10 CHCFRN Cc1nn(-c2ccccn2)c2c1C(=O)CC(C)(C)[C@H]2N=[N+]=[N-] ZINC000005336675 170086978 /nfs/dbraw/zinc/08/69/78/170086978.db2.gz SQPVYAMHTRZYEI-AWEZNQCLSA-N 0 0 296.334 3.540 3 10 CHCFRN COc1c(O)c(O)cc2c1OC(C)(C)c1ccc(C)cc1-2 ZINC000014822421 560226867 /nfs/dbraw/zinc/22/68/67/560226867.db2.gz OENHKPIJNUYYOD-UHFFFAOYSA-N 0 0 286.327 3.709 1 10 biogenic,in-vitro CHCFRN C[C@@]12CC[C@H]3c4ccc(O)c(O)c4CC[C@@H]3[C@@H]1CCC2=O ZINC000033963989 574414156 /nfs/dbraw/zinc/41/41/56/574414156.db2.gz XQZVQQZZOVBNLU-MMNXLFCMSA-N 0 0 286.371 3.523 1 10 endogenous,world CHCFRN Cc1cccc2c1/C(=C/c1ccc(N(C)C)cc1)C(=O)N2 ZINC000013780149 170593332 /nfs/dbraw/zinc/59/33/32/170593332.db2.gz GWWWFPNOJLCQSC-PTNGSMBKSA-N 0 0 278.355 3.554 1 10 CHCFRN COc1ccc(OC)c(NN=C2C=CC(=O)C(OC)=C2)c1 ZINC000095561911 185008979 /nfs/dbraw/zinc/00/89/79/185008979.db2.gz JCROGUSMRLEGPS-WUKNDPDISA-N 0 0 288.303 3.833 1 10 CHCFRN COc1cc(NN=C2C=CC(=O)C(OC)=C2)cc(OC)c1 ZINC000095560203 185009776 /nfs/dbraw/zinc/00/97/76/185009776.db2.gz YXOORYGXSSHUJU-WUKNDPDISA-N 0 0 288.303 3.833 1 10 CHCFRN Cc1ccc(O)c(C2=NN[C@H](c3cccc(Cl)c3)C2)c1 ZINC000006522317 170209518 /nfs/dbraw/zinc/20/95/18/170209518.db2.gz ZERSIMSEHFTYKI-AWEZNQCLSA-N 0 0 286.762 3.793 1 10 CHCFRN Oc1ccc(-c2cn3c4ccccc4sc3n2)cc1O ZINC000027309679 171512614 /nfs/dbraw/zinc/51/26/14/171512614.db2.gz AMIPQCVMASDKMK-UHFFFAOYSA-N 0 0 282.324 3.627 1 10 CHCFRN C[C@@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@H]3[C@H]1CCC2=O ZINC000261494684 571861618 /nfs/dbraw/zinc/86/16/18/571861618.db2.gz XQZVQQZZOVBNLU-LZDVPDMXSA-N 0 0 286.371 3.523 1 10 endogenous,world CHCFRN Nc1ccc(Oc2ncnc3c2ccn3C2CCCC2)cc1 ZINC000095555344 185008283 /nfs/dbraw/zinc/00/82/83/185008283.db2.gz VDTQYRSJUGINKE-UHFFFAOYSA-N 0 0 294.358 3.921 1 10 CHCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCCC2 ZINC000095557495 185009001 /nfs/dbraw/zinc/00/90/01/185009001.db2.gz KRQPAMFRQMCSHL-UHFFFAOYSA-N 0 0 280.323 3.903 1 10 CHCFRN Cc1nnc2c(c1-c1ccccc1)C(=O)c1ccccc1-2 ZINC000013743540 170586492 /nfs/dbraw/zinc/58/64/92/170586492.db2.gz ZWYFEEDBYWQYKD-UHFFFAOYSA-N 0 0 272.307 3.663 1 10 CHCFRN CCOC(=O)c1ccc(/N=N/C=C/N2CCCC2)cc1 ZINC000040424006 174258458 /nfs/dbraw/zinc/25/84/58/174258458.db2.gz HSKBXRVYUJHJER-ZKOVZKHUSA-N 0 0 273.336 3.514 1 10 CHCFRN CCC(=O)N[C@@H](C)c1cc(Cl)c2ccccc2c1O ZINC000036388618 172628648 /nfs/dbraw/zinc/62/86/48/172628648.db2.gz FPDNLJBOMAJEBZ-VIFPVBQESA-N 0 0 277.751 3.786 3 10 CHCFRN C[C@@]12CC[C@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1CCC2=O ZINC000033587910 574414068 /nfs/dbraw/zinc/41/40/68/574414068.db2.gz XQZVQQZZOVBNLU-WKZPIUISSA-N 0 0 286.371 3.523 1 10 endogenous,world CHCFRN CN(C)/N=N\c1ccnc2cc(Br)ccc12 ZINC000169314484 188657034 /nfs/dbraw/zinc/65/70/34/188657034.db2.gz XABWXNQMQIIBBA-PFONDFGASA-N 0 0 279.141 3.558 1 10 CHCFRN Nc1nn(-c2ccccc2)c(N)c1/N=N/c1ccc(F)cc1 ZINC000006062252 170173148 /nfs/dbraw/zinc/17/31/48/170173148.db2.gz ODBZJIXJPXNCRR-FMQUCBEESA-N 0 0 296.309 3.591 1 10 CHCFRN C[C@@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@@H]3[C@@H]1CCC2=O ZINC000031622970 574414039 /nfs/dbraw/zinc/41/40/39/574414039.db2.gz XQZVQQZZOVBNLU-BKTMZONDSA-N 0 0 286.371 3.523 1 10 endogenous,world CHCFRN [O-]c1cc(F)ccc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000095582191 185011032 /nfs/dbraw/zinc/01/10/32/185011032.db2.gz CAFMEFBXDAOXDX-UHFFFAOYSA-N 0 0 275.367 3.590 1 10 CHCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@@H](C)C2 ZINC000095556791 185009126 /nfs/dbraw/zinc/00/91/26/185009126.db2.gz OOVYDGDIAKKCJZ-SECBINFHSA-N 0 0 280.323 3.759 1 10 CHCFRN Oc1cccc(/C=C/c2ccc3cccc(O)c3n2)c1O ZINC000045338680 175361011 /nfs/dbraw/zinc/36/10/11/175361011.db2.gz TZPLPBIPHVADGQ-CSKARUKUSA-N 0 0 279.295 3.522 1 10 CHCFRN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccccn1 ZINC000072105391 176316557 /nfs/dbraw/zinc/31/65/57/176316557.db2.gz FMFRNMKWKYRNBL-GDNBJRDFSA-N 0 0 297.745 3.541 1 10 CHCFRN O=C1Nc2ccc(F)cc2/C1=C/c1c[nH]c2cc(F)ccc12 ZINC000073387260 176469614 /nfs/dbraw/zinc/46/96/14/176469614.db2.gz ZKBSNUFSYIJDCZ-RZNTYIFUSA-N 0 0 296.276 3.939 1 10 CHCFRN CCc1ccn2c(c1)c(C)c1c2C(=O)c2ccccc2C1=O ZINC000082157949 177925189 /nfs/dbraw/zinc/92/51/89/177925189.db2.gz ZFBRVTDMLPWHAF-UHFFFAOYSA-N 0 0 289.334 3.586 1 10 CHCFRN COc1cc(NN=C2C=CC(=O)C=C2)cc(OC)c1 ZINC000095563445 185010351 /nfs/dbraw/zinc/01/03/51/185010351.db2.gz OBNOEIMWOLWCPS-FOCLMDBBSA-N 0 0 258.277 3.825 1 10 CHCFRN CN1N=C(c2ccc(O)cc2)C[C@H]1c1cccc(Cl)c1 ZINC000096921823 185131048 /nfs/dbraw/zinc/13/10/48/185131048.db2.gz DSGMXVREKDZDJL-INIZCTEOSA-N 0 0 286.762 3.827 1 10 CHCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c(C)c(O)ccc21 ZINC000070454958 290873364 /nfs/dbraw/zinc/87/33/64/290873364.db2.gz BPLLXEHFWRSRLV-UHFFFAOYSA-N 0 0 292.290 3.801 1 10 biogenic,in-vitro CHCFRN CC[C@H](c1ccc(-c2ccc(O)c(O)c2)cc1)n1ccnc1 ZINC000043022941 174945410 /nfs/dbraw/zinc/94/54/10/174945410.db2.gz AJXMMNNBZYGUFM-MRXNPFEDSA-N 0 0 294.354 3.961 1 10 in-vivo CHCFRN CC1=NN(C(=O)c2ccccc2)[C@@H](c2cccc(C)c2O)C1 ZINC000071410465 176156711 /nfs/dbraw/zinc/15/67/11/176156711.db2.gz GXBNYSSRGIAGID-MRXNPFEDSA-N 0 0 294.354 3.664 1 10 CHCFRN CC1=CCc2c1cc1c(c2C)C(=O)c2ccccc2C1=O ZINC000014715621 560224858 /nfs/dbraw/zinc/22/48/58/560224858.db2.gz LPEWMUGQLRGDCB-UHFFFAOYSA-N 0 0 274.319 3.730 1 10 biogenic,in-vitro CHCFRN CC(C)=CCn1ccc2c1ncnc2Oc1ccc(N)cc1 ZINC000095553617 185008590 /nfs/dbraw/zinc/00/85/90/185008590.db2.gz QVGOOXZKTCPSJE-UHFFFAOYSA-N 0 0 294.358 3.772 1 10 CHCFRN COc1cc2c(cc1C)C(=O)[C@@H]1[C@@H]3[C@]1(CCCC3(C)C)C2=O ZINC000038537745 290872722 /nfs/dbraw/zinc/87/27/22/290872722.db2.gz RNGXKCDHAQVJJR-SIXWZSSISA-N 0 0 298.382 3.825 1 10 biogenic,in-vitro CHCFRN O=C1Nc2c3c1cc(O)c(O)c3c1ccccc1c2Cl ZINC000045371558 175364160 /nfs/dbraw/zinc/36/41/60/175364160.db2.gz DVFDPTMMVVWTRF-UHFFFAOYSA-N 0 0 285.686 3.623 1 10 CHCFRN CC1=NN(C(=O)c2ccc(C)cc2)[C@@H](c2ccccc2O)C1 ZINC000071341894 176130168 /nfs/dbraw/zinc/13/01/68/176130168.db2.gz CONJYSVEBRCORZ-MRXNPFEDSA-N 0 0 294.354 3.664 1 10 CHCFRN O=C1C=CC(=[NH+][N-]c2n[nH]c(-c3ccccc3)n2)C=C1 ZINC000102772414 185791046 /nfs/dbraw/zinc/79/10/46/185791046.db2.gz WJUBJZHMRWXSHL-VLGSPTGOSA-N 0 0 265.276 3.593 1 10 CHCFRN c1ccc2nc3c(cc4c5c(cccc35)CCO4)nc2c1 ZINC000072110321 176317411 /nfs/dbraw/zinc/31/74/11/176317411.db2.gz GYEBIAMPHKIJOQ-UHFFFAOYSA-N 0 0 272.307 3.871 1 10 CHCFRN C[C@@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1CCC2=O ZINC000031622969 574414016 /nfs/dbraw/zinc/41/40/16/574414016.db2.gz XQZVQQZZOVBNLU-LSIMKLPESA-N 0 0 286.371 3.523 1 10 endogenous,world CHCFRN Cc1coc2c1C(=O)C(=O)c1c3c(ccc1-2)C(C)(C)CC3 ZINC000095553996 185008172 /nfs/dbraw/zinc/00/81/72/185008172.db2.gz ZTYNNXKHQZWFBK-UHFFFAOYSA-N 0 0 280.323 3.858 1 10 CHCFRN C[C@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)cc1 ZINC000014813266 560226520 /nfs/dbraw/zinc/22/65/20/560226520.db2.gz DGQWWSZBPBHDQU-QWHCGFSZSA-N 0 0 286.371 3.861 1 10 biogenic,in-vitro CHCFRN CN(C)/N=N\c1ccnc2c(Br)cccc12 ZINC000105364502 186053662 /nfs/dbraw/zinc/05/36/62/186053662.db2.gz LHWGNEGYOROUID-PFONDFGASA-N 0 0 279.141 3.558 1 10 CHCFRN Cc1nn(-c2ccccn2)c2c1C(=O)CC(C)(C)[C@@H]2N=[N+]=[N-] ZINC000005336676 170087070 /nfs/dbraw/zinc/08/70/70/170087070.db2.gz SQPVYAMHTRZYEI-CQSZACIVSA-N 0 0 296.334 3.540 3 10 CHCFRN O=C1Nc2ccccc2/C1=C\c1ccc(N2CCCC2)cc1 ZINC000006346826 170194341 /nfs/dbraw/zinc/19/43/41/170194341.db2.gz GPIVAXYAJQADBC-GHRIWEEISA-N 0 0 290.366 3.780 1 10 CHCFRN CN=NNc1ccc2ncnc(NCc3ccccc3)c2c1 ZINC000013527538 170558500 /nfs/dbraw/zinc/55/85/00/170558500.db2.gz FQLRRCCCCZDFGX-UHFFFAOYSA-N 0 0 292.346 3.651 1 10 CHCFRN COc1ccc(CCCCc2ccc(O)c(O)c2)cc1 ZINC000028896205 171580131 /nfs/dbraw/zinc/58/01/31/171580131.db2.gz RJNSBIVNUQEMGI-UHFFFAOYSA-N 0 0 272.344 3.672 1 10 CHCFRN C[C@@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@@H]3[C@H]1CCC2=O ZINC000044020714 574414856 /nfs/dbraw/zinc/41/48/56/574414856.db2.gz XQZVQQZZOVBNLU-AZGFTEDZSA-N 0 0 286.371 3.523 1 10 endogenous,world CHCFRN CN1N=C(c2ccc(O)cc2)C[C@@H]1c1ccccc1Cl ZINC000096921822 185131046 /nfs/dbraw/zinc/13/10/46/185131046.db2.gz QQZCOFHXAFUDRL-MRXNPFEDSA-N 0 0 286.762 3.827 1 10 CHCFRN C[C@@H]1Cc2cc(O)c(O)cc2[C@H](c2ccc(O)cc2)[C@@H]1C ZINC000014779050 290872788 /nfs/dbraw/zinc/87/27/88/290872788.db2.gz KVQNZHBGJXIMPI-YRUZYCQGSA-N 0 0 284.355 3.764 1 10 biogenic,in-vitro CHCFRN CN(C)/N=N\c1ccnc2ccc(Br)cc12 ZINC000105391888 186056194 /nfs/dbraw/zinc/05/61/94/186056194.db2.gz KLKMRPAQJCWKLW-PFONDFGASA-N 0 0 279.141 3.558 1 10 CHCFRN Oc1ccc(-c2ccc(-c3ccc(O)c(O)c3)c(O)c2)cc1 ZINC000096930195 185132399 /nfs/dbraw/zinc/13/23/99/185132399.db2.gz HDKAWODVIYSFHR-UHFFFAOYSA-N 0 0 294.306 3.843 1 10 CHCFRN Cc1ccc(O)c(C2=NN[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000006041482 170170933 /nfs/dbraw/zinc/17/09/33/170170933.db2.gz ZERSIMSEHFTYKI-CQSZACIVSA-N 0 0 286.762 3.793 1 10 CHCFRN O=c1cc(-c2ccc(O)c(O)c2)oc2c3ccoc3ccc12 ZINC000045284451 175353618 /nfs/dbraw/zinc/35/36/18/175353618.db2.gz HQXNJTYEMIKUKO-UHFFFAOYSA-N 0 0 294.262 3.617 1 10 CHCFRN CC(C)=CCC/C(C)=C/COC(=O)c1ccc(O)c(O)c1 ZINC000027310265 560091746 /nfs/dbraw/zinc/09/17/46/560091746.db2.gz OVDDPLULMGGUFM-UKTHLTGXSA-N 0 0 290.359 3.947 1 10 biogenic,in-vitro CHCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](C)C2 ZINC000095556790 185009173 /nfs/dbraw/zinc/00/91/73/185009173.db2.gz OOVYDGDIAKKCJZ-VIFPVBQESA-N 0 0 280.323 3.759 1 10 CHCFRN COc1cc(-c2ccc3occc3c2)cc(O)c1O ZINC000014817740 170646699 /nfs/dbraw/zinc/64/66/99/170646699.db2.gz URHYUEJCUXNAMD-UHFFFAOYSA-N 0 0 256.257 3.520 1 10 CHCFRN CC1=NN(C(=O)c2ccccc2C)[C@H](c2ccccc2O)C1 ZINC000071340751 176130204 /nfs/dbraw/zinc/13/02/04/176130204.db2.gz WUFOBRRIKKZNFY-INIZCTEOSA-N 0 0 294.354 3.664 1 10 CHCFRN CC(C)(C)Cn1ccc2c1ncnc2Oc1ccc(N)cc1 ZINC000095555727 185007871 /nfs/dbraw/zinc/00/78/71/185007871.db2.gz CFZRIPSKGMPZQH-UHFFFAOYSA-N 0 0 296.374 3.852 1 10 CHCFRN Nc1ccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1 ZINC000000784487 169678371 /nfs/dbraw/zinc/67/83/71/169678371.db2.gz JOZNTJPBSFTJGV-UHFFFAOYSA-N 0 0 299.355 3.547 1 10 CHCFRN Cc1ccc2oc(=O)c3c4cc(O)c(O)c(C)c4oc3c2c1 ZINC000008679954 170345123 /nfs/dbraw/zinc/34/51/23/170345123.db2.gz HDOCIUMHIVNIHO-UHFFFAOYSA-N 0 0 296.278 3.720 1 10 CHCFRN Oc1ccc(CC[C@@H](O)CC/C=C/c2ccccc2)cc1O ZINC000015112769 560098229 /nfs/dbraw/zinc/09/82/29/560098229.db2.gz OELWYQGRQUQQPD-AUNFYEFLSA-N 0 0 298.382 3.885 1 10 endogenous,in-man CHCFRN CN1N=C(c2ccc(O)cc2)C[C@@H]1c1cccc(Cl)c1 ZINC000096921824 185131188 /nfs/dbraw/zinc/13/11/88/185131188.db2.gz DSGMXVREKDZDJL-MRXNPFEDSA-N 0 0 286.762 3.827 1 10 CHCFRN Brc1cccc(/N=N/N2CCCCC2)c1 ZINC000045261871 175337086 /nfs/dbraw/zinc/33/70/86/175337086.db2.gz SGPCLOBDIMPCCG-BUHFOSPRSA-N 0 0 268.158 3.934 1 10 CHCFRN Oc1ccc(CC[C@H](O)CC/C=C/c2ccccc2)cc1O ZINC000015112771 290874098 /nfs/dbraw/zinc/87/40/98/290874098.db2.gz OELWYQGRQUQQPD-IOMDMTNGSA-N 0 0 298.382 3.885 1 10 endogenous,in-man CHCFRN Cc1ccc(/N=N/N(C)[C@H](C)[C@H](O)Cc2ccccc2)cc1 ZINC000005822956 170143959 /nfs/dbraw/zinc/14/39/59/170143959.db2.gz VVNKOIGMSSUKMZ-NBPFVEHJSA-N 0 0 297.402 3.918 1 10 CHCFRN CC1=NN(C(=O)c2ccc(C)cc2)[C@H](c2ccccc2O)C1 ZINC000071341893 176130478 /nfs/dbraw/zinc/13/04/78/176130478.db2.gz CONJYSVEBRCORZ-INIZCTEOSA-N 0 0 294.354 3.664 1 10 CHCFRN CC(C)CCn1ccc2c1ncnc2Oc1ccc(N)cc1 ZINC000095556458 185008912 /nfs/dbraw/zinc/00/89/12/185008912.db2.gz OQCBNUNUIKGEJR-UHFFFAOYSA-N 0 0 296.374 3.852 1 10 CHCFRN COc1cc(NN=C2C=CC(=O)C=C2OC)cc(OC)c1 ZINC000095563855 185010115 /nfs/dbraw/zinc/01/01/15/185010115.db2.gz GEEGFKZAUUHCHM-WUKNDPDISA-N 0 0 288.303 3.833 1 10 CHCFRN CN1C=C(/N=N/c2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000040405334 174254212 /nfs/dbraw/zinc/25/42/12/174254212.db2.gz VCZOUGTZTAERBD-CCEZHUSRSA-N 0 0 280.715 3.899 1 10 CHCFRN Oc1ccc(-c2cccc(-c3ccc(O)c(O)c3)c2)cc1O ZINC000095590537 185013643 /nfs/dbraw/zinc/01/36/43/185013643.db2.gz ZUQNPUYEZFNVTD-UHFFFAOYSA-N 0 0 294.306 3.843 1 10 CHCFRN CN1N=C(c2ccc(O)cc2)C[C@H]1c1ccccc1Cl ZINC000096921821 185131510 /nfs/dbraw/zinc/13/15/10/185131510.db2.gz QQZCOFHXAFUDRL-INIZCTEOSA-N 0 0 286.762 3.827 1 10 CHCFRN Oc1ccc(-c2ccc(-c3ccc(O)c(O)c3)cc2)cc1O ZINC000095587278 185011837 /nfs/dbraw/zinc/01/18/37/185011837.db2.gz ZCNLRCHECCUAMR-UHFFFAOYSA-N 0 0 294.306 3.843 1 10 CHCFRN CC1=NN(C(=O)c2ccccc2C)[C@@H](c2ccccc2O)C1 ZINC000071340752 176130628 /nfs/dbraw/zinc/13/06/28/176130628.db2.gz WUFOBRRIKKZNFY-MRXNPFEDSA-N 0 0 294.354 3.664 1 10 CHCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1C[C@H](C)CC2 ZINC000095554973 185008224 /nfs/dbraw/zinc/00/82/24/185008224.db2.gz WGZSNPJOTXZUBC-SECBINFHSA-N 0 0 280.323 3.759 1 10 CHCFRN Cc1nn(-c2ccccc2)c(N)c1/N=N\c1cccnc1 ZINC000005811518 170142007 /nfs/dbraw/zinc/14/20/07/170142007.db2.gz XYRDIWDOQWEVRC-HNENSFHCSA-N 0 0 278.319 3.573 1 10 CHCFRN Cc1cc2cc(O)c(O)cc2c(C)c1-c1ccc(O)c(O)c1 ZINC000006522251 170209467 /nfs/dbraw/zinc/20/94/67/170209467.db2.gz VNLRAOUGLZVGPK-UHFFFAOYSA-N 0 0 296.322 3.946 1 10 CHCFRN CN1CCOC(=O)C1=NNc1cc(Cl)ccc1Cl ZINC000013686162 170578429 /nfs/dbraw/zinc/57/84/29/170578429.db2.gz HRNGHKNLUYQGPB-PFONDFGASA-N 0 0 288.134 3.724 1 10 CHCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c(C=O)cccc21 ZINC000015217526 290873346 /nfs/dbraw/zinc/87/33/46/290873346.db2.gz QMOPNCBGTRJHHI-UHFFFAOYSA-N 0 0 290.274 3.600 1 10 biogenic,in-vitro CHCFRN Cc1nc2cc(N=Nc3c(C)noc3C)ccc2[nH]1 ZINC000005891284 170150667 /nfs/dbraw/zinc/15/06/67/170150667.db2.gz QMZFGPFGLKXBSE-WUKNDPDISA-N 0 0 255.281 3.892 1 10 CHCFRN Cc1ccc(C(=O)NC2CCCCC2)cc1/N=N/N(C)C ZINC000017217802 170730624 /nfs/dbraw/zinc/73/06/24/170730624.db2.gz FXHSCNZIZTUXTM-VHEBQXMUSA-N 0 0 288.395 3.618 1 10 CHCFRN Oc1ccc(-c2ccccc2-c2ccc(O)c(O)c2)cc1O ZINC000095587011 185012751 /nfs/dbraw/zinc/01/27/51/185012751.db2.gz PULNQXHWGZHAJN-UHFFFAOYSA-N 0 0 294.306 3.843 1 10 CHCFRN C[C@@H]1Cc2cc(O)c(O)cc2[C@@H](c2ccc(O)cc2)[C@H]1C ZINC000095911480 290873318 /nfs/dbraw/zinc/87/33/18/290873318.db2.gz KVQNZHBGJXIMPI-LIBAHTEVSA-N 0 0 284.355 3.764 1 10 biogenic,in-vitro CHCFRN CCCN1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S ZINC000006593235 170217367 /nfs/dbraw/zinc/21/73/67/170217367.db2.gz AGDMQRIABBELHP-RAXLEYEMSA-N 0 0 291.441 3.860 1 10 CHCFRN Cc1nnc2c(c1Cc1ccccc1)C(=O)c1ccccc1-2 ZINC000013743541 170586699 /nfs/dbraw/zinc/58/66/99/170586699.db2.gz CMZFQPKVPCNZGE-UHFFFAOYSA-N 0 0 286.334 3.587 1 10 CHCFRN Cc1ccc(C(=O)N[C@H]2CCc3c2c(O)c(C)cc3C)cc1 ZINC000026149696 171473109 /nfs/dbraw/zinc/47/31/09/171473109.db2.gz UWBIMEQNIHWELF-INIZCTEOSA-N 0 0 295.382 3.735 1 10 CHCFRN Cc1c(O)c(O)cc2c1CC=C1C(C)(C)C(=O)CC[C@@]21C ZINC000027189748 171509451 /nfs/dbraw/zinc/50/94/51/171509451.db2.gz GQSWECLHTRNGMA-SFHVURJKSA-N 0 0 286.371 3.536 1 10 CHCFRN CC1=NN(C(=O)c2ccccc2)[C@H](c2cccc(C)c2O)C1 ZINC000071410460 176156830 /nfs/dbraw/zinc/15/68/30/176156830.db2.gz GXBNYSSRGIAGID-INIZCTEOSA-N 0 0 294.354 3.664 1 10 CHCFRN Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1C[C@@H](C)CC2 ZINC000095554974 185008324 /nfs/dbraw/zinc/00/83/24/185008324.db2.gz WGZSNPJOTXZUBC-VIFPVBQESA-N 0 0 280.323 3.759 1 10 CHCFRN Oc1cc(CCc2ccc3ccccc3c2)cc(O)c1O ZINC000095588788 185012944 /nfs/dbraw/zinc/01/29/44/185012944.db2.gz RNVWGJBGBNGIOT-UHFFFAOYSA-N 0 0 280.323 3.742 1 10 CHCFRN CN1N=C(c2ccc(O)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000096921825 185130976 /nfs/dbraw/zinc/13/09/76/185130976.db2.gz NOCNSQXLPHAYGB-INIZCTEOSA-N 0 0 286.762 3.827 1 10 CHCFRN COc1ccc2c(c1)CN1CCCc3ccccc3[C@@H]1N2C ZINC000095573596 136517681 /nfs/dbraw/zinc/51/76/81/136517681.db2.gz YXJMJZAPADMXJF-LJQANCHMSA-N 0 0 294.398 3.592 1 10 CHCFRN CC1=C(C)[C@H](c2ccc(O)c(O)c2)O[C@H]1c1ccc(O)cc1 ZINC000035465537 290871028 /nfs/dbraw/zinc/87/10/28/290871028.db2.gz ZTJWYVRZTROWEN-QZTJIDSGSA-N 0 0 298.338 3.952 1 10 biogenic,in-vitro CHCFRN CCSC1=N/C(=C\c2ccc(N(C)C)cc2)C(Cl)=N1 ZINC000005596224 170117631 /nfs/dbraw/zinc/11/76/31/170117631.db2.gz UHWJFLBSKIQYBM-XFXZXTDPSA-N 0 0 293.823 3.854 1 10 CHCFRN Cc1ccc(/N=N/N(C)[C@@H](C)[C@H](O)Cc2ccccc2)cc1 ZINC000005822955 170144096 /nfs/dbraw/zinc/14/40/96/170144096.db2.gz VVNKOIGMSSUKMZ-UQOLYHHISA-N 0 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