smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000000051960 201427820 /nfs/dbraw/zinc/42/78/20/201427820.db2.gz LPYRJGXPCMXEEG-UHFFFAOYSA-N 0 1 344.389 5.558 50 0 EKAAMN CCOc1ccc2nc(C)cc(Nc3cc(Cl)ccc3OC)c2c1 ZINC000000071839 563974384 /nfs/dbraw/zinc/97/43/84/563974384.db2.gz CHBVLPPUOLDZPX-UHFFFAOYSA-N 0 1 342.826 5.348 50 0 EKAAMN Cc1ccc(CSc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc1 ZINC000000115449 563231845 /nfs/dbraw/zinc/23/18/45/563231845.db2.gz HLZMMWNZMQHQLQ-UHFFFAOYSA-N 0 1 337.492 5.370 50 0 EKAAMN Cc1ccc(C)c(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)c1 ZINC000000120458 563234073 /nfs/dbraw/zinc/23/40/73/563234073.db2.gz KUVWTWHPKJRGOL-UHFFFAOYSA-N 0 1 347.462 5.366 50 0 EKAAMN COC(=O)c1ccc2nc(C)cc(Nc3cccc(Cl)c3C)c2c1 ZINC000000144071 563987192 /nfs/dbraw/zinc/98/71/92/563987192.db2.gz VJEKBTDVAGKSBY-UHFFFAOYSA-N 0 1 340.810 5.035 50 0 EKAAMN COC(=O)c1ccc2nc(C)cc(Nc3ccc(Cl)cc3C)c2c1 ZINC000000144095 563987181 /nfs/dbraw/zinc/98/71/81/563987181.db2.gz LZXCIHOWTFQEEZ-UHFFFAOYSA-N 0 1 340.810 5.035 50 0 EKAAMN CCOC(=O)c1ccc2nc(C)cc(Nc3ccccc3CC)c2c1 ZINC000000144316 563987161 /nfs/dbraw/zinc/98/71/61/563987161.db2.gz DMMUCVATSOOFNR-UHFFFAOYSA-N 0 1 334.419 5.026 50 0 EKAAMN Clc1ccc(SCc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000000145424 563987197 /nfs/dbraw/zinc/98/71/97/563987197.db2.gz QAFYIAMZMFFEAQ-UHFFFAOYSA-N 0 1 336.247 5.071 50 0 EKAAMN Clc1ccc(SCc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000000145424 563987196 /nfs/dbraw/zinc/98/71/96/563987196.db2.gz QAFYIAMZMFFEAQ-UHFFFAOYSA-N 0 1 336.247 5.071 50 0 EKAAMN CC(C)(C)c1cc2c(c(-c3cc(C(F)(F)F)n[nH]3)c1)CCC2(C)C ZINC000000171340 563251520 /nfs/dbraw/zinc/25/15/20/563251520.db2.gz JXYDPVVIKXTQIS-UHFFFAOYSA-N 0 1 336.401 5.617 50 0 EKAAMN Cc1ccc2nc(SCc3ccc(Cl)cc3Cl)[nH]c2c1C ZINC000000182758 563987953 /nfs/dbraw/zinc/98/79/53/563987953.db2.gz VSGIRZCYLODLAC-UHFFFAOYSA-N 0 1 337.275 5.779 50 0 EKAAMN Cc1cc(Nc2ccc(Br)cc2)c2cccc(C)c2n1 ZINC000000183373 563987927 /nfs/dbraw/zinc/98/79/27/563987927.db2.gz IJUDAFRDNWZOFP-UHFFFAOYSA-N 0 1 327.225 5.358 50 0 EKAAMN Cc1cc(Oc2ccc(C(C)(C)C)cc2)nc(-c2ccccc2O)n1 ZINC000000193360 563988203 /nfs/dbraw/zinc/98/82/03/563988203.db2.gz ROOVOCBCZFVRQI-UHFFFAOYSA-N 0 1 334.419 5.247 50 0 EKAAMN CC(C)c1nc2ccc(Oc3ccc4[nH]c(C(C)C)nc4c3)cc2[nH]1 ZINC000000205758 563988509 /nfs/dbraw/zinc/98/85/09/563988509.db2.gz MRUFBGIXUNKFJQ-UHFFFAOYSA-N 0 1 334.423 5.478 50 0 EKAAMN Cc1ccc2nc(SCc3ccc(Br)cc3)[nH]c2c1C ZINC000000207918 563260117 /nfs/dbraw/zinc/26/01/17/563260117.db2.gz ZWIMNIUQPUCWIU-UHFFFAOYSA-N 0 1 347.281 5.235 50 0 EKAAMN Cc1[nH]c2ccc(-c3n[nH]c(=S)n3-c3ccc(C)cc3)cc2c1C ZINC000000221552 209492989 /nfs/dbraw/zinc/49/29/89/209492989.db2.gz BGVNNXRUWOADEN-UHFFFAOYSA-N 0 1 334.448 5.003 50 0 EKAAMN Cc1[nH]c2ccc(-c3n[nH]c(=S)n3-c3ccc(C)cc3C)cc2c1C ZINC000000221567 563988833 /nfs/dbraw/zinc/98/88/33/563988833.db2.gz YIKWHFIIQSOIKA-UHFFFAOYSA-N 0 1 348.475 5.312 50 0 EKAAMN Cc1[nH]c2ccc(-c3n[nH]c(=S)n3-c3ccc(C)c(C)c3)cc2c1C ZINC000000221572 563988857 /nfs/dbraw/zinc/98/88/57/563988857.db2.gz BDHMHOJBUXPCKT-UHFFFAOYSA-N 0 1 348.475 5.312 50 0 EKAAMN Cc1[nH]c2ccc(-c3n[nH]c(=S)n3-c3ccccc3C)cc2c1C ZINC000000221577 563988827 /nfs/dbraw/zinc/98/88/27/563988827.db2.gz OMJOZYDGISXZJM-UHFFFAOYSA-N 0 1 334.448 5.003 50 0 EKAAMN Cc1cccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c21 ZINC000000237546 563264156 /nfs/dbraw/zinc/26/41/56/563264156.db2.gz MKDWOIMUMOHTOA-UHFFFAOYSA-N 0 1 333.435 5.057 50 0 EKAAMN Cc1cc(Nc2cccc(Br)c2)c2cccc(C)c2n1 ZINC000000256312 563267440 /nfs/dbraw/zinc/26/74/40/563267440.db2.gz SGNFPAMWMYLSBJ-UHFFFAOYSA-N 0 1 327.225 5.358 50 0 EKAAMN COc1ccc2nc(SCc3ccc(C(C)(C)C)cc3)[nH]c2c1 ZINC000000273332 563270309 /nfs/dbraw/zinc/27/03/09/563270309.db2.gz OUXJOASRGMYGSX-UHFFFAOYSA-N 0 1 326.465 5.161 50 0 EKAAMN Cc1ccc(-c2[nH]c(-c3ccccc3O)nc2-c2ccccc2)cc1 ZINC000000309016 563279492 /nfs/dbraw/zinc/27/94/92/563279492.db2.gz UNBYWCXWLYVLTB-UHFFFAOYSA-N 0 1 326.399 5.425 50 0 EKAAMN COc1ccc(-c2[nH]c(-c3ccc(O)cc3)nc2-c2ccccc2)cc1 ZINC000000324564 563991200 /nfs/dbraw/zinc/99/12/00/563991200.db2.gz KXLATOYLLNSXHY-UHFFFAOYSA-N 0 1 342.398 5.125 50 0 EKAAMN Cc1ccccc1Nc1nc(-c2ccccc2O)nc2ccccc21 ZINC000000343287 209543217 /nfs/dbraw/zinc/54/32/17/209543217.db2.gz AISQCZCZZWELJX-UHFFFAOYSA-N 0 1 327.387 5.054 50 0 EKAAMN CN(C)Cc1ccc(F)cc1Sc1ccc(Cl)cc1Cl ZINC000000346857 563288061 /nfs/dbraw/zinc/28/80/61/563288061.db2.gz JLOWBNWESRIHFY-UHFFFAOYSA-N 0 1 330.255 5.345 50 0 EKAAMN CN(C)Cc1ccc(F)cc1Sc1cc(Cl)ccc1Cl ZINC000000346858 205439108 /nfs/dbraw/zinc/43/91/08/205439108.db2.gz UNAWHUIPJQHFOG-UHFFFAOYSA-N 0 1 330.255 5.345 50 0 EKAAMN CN(C)Cc1cc(F)ccc1Sc1ccc(Cl)c(Cl)c1 ZINC000000346868 563991410 /nfs/dbraw/zinc/99/14/10/563991410.db2.gz TZKRTWCMPBTDMO-UHFFFAOYSA-N 0 1 330.255 5.345 50 0 EKAAMN CC(C)(C)c1ccc(CSc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000000349776 563289089 /nfs/dbraw/zinc/28/90/89/563289089.db2.gz APYYBVTZTFANMC-UHFFFAOYSA-N 0 1 330.884 5.806 50 0 EKAAMN CC(C)[C@@H]1CC[C@H](C)c2c(-c3ccc(Br)cc3)[nH]nc21 ZINC000000387833 209566615 /nfs/dbraw/zinc/56/66/15/209566615.db2.gz NRARIJLIMMHVAW-FZMZJTMJSA-N 0 1 333.273 5.476 50 0 EKAAMN CC(C)[C@@H]1CC[C@@H](C)c2c(-c3ccc(Br)cc3)[nH]nc21 ZINC000000387834 563303468 /nfs/dbraw/zinc/30/34/68/563303468.db2.gz NRARIJLIMMHVAW-RISCZKNCSA-N 0 1 333.273 5.476 50 0 EKAAMN CC(C)[C@H]1CC[C@H](C)c2c(-c3ccc(Br)cc3)[nH]nc21 ZINC000000387835 563303481 /nfs/dbraw/zinc/30/34/81/563303481.db2.gz NRARIJLIMMHVAW-SMDDNHRTSA-N 0 1 333.273 5.476 50 0 EKAAMN CC(C)[C@H]1CC[C@@H](C)c2c(-c3ccc(Br)cc3)[nH]nc21 ZINC000000387836 563303523 /nfs/dbraw/zinc/30/35/23/563303523.db2.gz NRARIJLIMMHVAW-BXUZGUMPSA-N 0 1 333.273 5.476 50 0 EKAAMN Cc1ccc([C@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000000446886 564074614 /nfs/dbraw/zinc/07/46/14/564074614.db2.gz LDHOOIZNZMMDRX-JOCHJYFZSA-N 0 1 340.426 5.079 50 0 EKAAMN Cc1ccc([C@@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000000446887 563917498 /nfs/dbraw/zinc/91/74/98/563917498.db2.gz LDHOOIZNZMMDRX-QFIPXVFZSA-N 0 1 340.426 5.079 50 0 EKAAMN Cc1ccc2nc(SCc3cccc(C(F)(F)F)c3)[nH]c2c1C ZINC000000451016 563319981 /nfs/dbraw/zinc/31/99/81/563319981.db2.gz YTVLDNBAZIGSLG-UHFFFAOYSA-N 0 1 336.382 5.491 50 0 EKAAMN Cc1cc(Nc2cc(Cl)cc(Cl)c2)nc(-c2ccccc2O)n1 ZINC000000510460 564020073 /nfs/dbraw/zinc/02/00/73/564020073.db2.gz AONOSYPBKFHAJJ-UHFFFAOYSA-N 0 1 346.217 5.208 50 0 EKAAMN Cc1cccc(Oc2nc(-c3ccccc3O)nc3ccccc32)c1 ZINC000000533098 564021959 /nfs/dbraw/zinc/02/19/59/564021959.db2.gz ANVLYHYLPHHENY-UHFFFAOYSA-N 0 1 328.371 5.103 50 0 EKAAMN COc1cccc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)c1 ZINC000000535109 563343400 /nfs/dbraw/zinc/34/34/00/563343400.db2.gz MYDJTJRTDPXCJQ-UHFFFAOYSA-N 0 1 332.428 5.481 50 0 EKAAMN Cc1cc(Nc2ccc(Cl)c(Cl)c2)nc(-c2ccccc2O)n1 ZINC000000536129 209654120 /nfs/dbraw/zinc/65/41/20/209654120.db2.gz JERSBUHHDWVNOK-UHFFFAOYSA-N 0 1 346.217 5.208 50 0 EKAAMN Cc1ccccc1Oc1nc(-c2ccccc2O)nc2ccccc21 ZINC000000537325 564022229 /nfs/dbraw/zinc/02/22/29/564022229.db2.gz DODLSJBFFFADND-UHFFFAOYSA-N 0 1 328.371 5.103 50 0 EKAAMN Oc1ccccc1-c1nc2ccccc2c(Oc2ccccc2Cl)n1 ZINC000000537467 564022077 /nfs/dbraw/zinc/02/20/77/564022077.db2.gz GHVHYWSJPSQNLD-UHFFFAOYSA-N 0 1 348.789 5.448 50 0 EKAAMN Cc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc32)cc1 ZINC000000541293 564022479 /nfs/dbraw/zinc/02/24/79/564022479.db2.gz KMZIPIZZTHRLHA-UHFFFAOYSA-N 0 1 328.371 5.103 50 0 EKAAMN Oc1ccccc1-c1nc2ccccc2c(Oc2ccc(Cl)cc2)n1 ZINC000000544926 564022673 /nfs/dbraw/zinc/02/26/73/564022673.db2.gz CLQXRJJTTULHEH-UHFFFAOYSA-N 0 1 348.789 5.448 50 0 EKAAMN Oc1ccccc1-c1nc2ccccc2c(Oc2cccc(Cl)c2)n1 ZINC000000546311 564022717 /nfs/dbraw/zinc/02/27/17/564022717.db2.gz YWIZYTKKPHQLDT-UHFFFAOYSA-N 0 1 348.789 5.448 50 0 EKAAMN Cc1nc2cc(NCc3cccs3)ccc2n1Cc1ccccc1 ZINC000000550498 564022876 /nfs/dbraw/zinc/02/28/76/564022876.db2.gz SGZMVWRXMLKLMP-UHFFFAOYSA-N 0 1 333.460 5.067 50 0 EKAAMN COc1ccc(-c2[nH]c(-c3ccc(C)cc3)nc2-c2ccccc2)cc1 ZINC000000552228 563345166 /nfs/dbraw/zinc/34/51/66/563345166.db2.gz KNELKMWRRQGWGF-UHFFFAOYSA-N 0 1 340.426 5.728 50 0 EKAAMN CSc1ccc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)cc1 ZINC000000552335 564023010 /nfs/dbraw/zinc/02/30/10/564023010.db2.gz CJUQLYNFKFDTFY-UHFFFAOYSA-N 0 1 348.496 6.194 50 0 EKAAMN Cc1cc(Nc2cccc3ccccc32)c2c(N)c(C)cc(C)c2n1 ZINC000000980145 564053834 /nfs/dbraw/zinc/05/38/34/564053834.db2.gz VVHRJBXJTGLERW-UHFFFAOYSA-N 0 1 327.431 5.639 50 0 EKAAMN C[C@@H]1CC[C@@]2(C)c3c(c4ccccc4n3Cc3ccccc3)CCN2C1 ZINC000001295561 564063032 /nfs/dbraw/zinc/06/30/32/564063032.db2.gz VAABMKSTVWFIJI-KOSHJBKYSA-N 0 1 344.502 5.193 50 0 EKAAMN C[C@H]1CC[C@H]2c3c(c4ccccc4n3Cc3ccccc3)CCN2C1 ZINC000001295727 564063041 /nfs/dbraw/zinc/06/30/41/564063041.db2.gz MIAAJFLJFWAPKY-JTSKRJEESA-N 0 1 330.475 5.019 50 0 EKAAMN Cc1cc(Nc2ccc(Cl)cc2Cl)nc(-c2ccccc2O)n1 ZINC000001299529 564063057 /nfs/dbraw/zinc/06/30/57/564063057.db2.gz GTIIIXPXYPUDRQ-UHFFFAOYSA-N 0 1 346.217 5.208 50 0 EKAAMN Oc1ccccc1-c1nc(-c2ccccc2)c(-c2ccc(F)cc2)[nH]1 ZINC000001465733 201510610 /nfs/dbraw/zinc/51/06/10/201510610.db2.gz CCLNKPAQCBOOQG-UHFFFAOYSA-N 0 1 330.362 5.255 50 0 EKAAMN Cc1cc2oc(-c3ccc(C(C)(C)C)cc3)c/c(=N\O)c2cc1Cl ZINC000001792141 564087682 /nfs/dbraw/zinc/08/76/82/564087682.db2.gz NZLXJSAQNPUDOD-OQKWZONESA-N 0 1 341.838 5.649 50 0 EKAAMN Oc1ccccc1-c1nc2ccccc2c(Nc2cccc(Cl)c2)n1 ZINC000001836834 563413768 /nfs/dbraw/zinc/41/37/68/563413768.db2.gz BIVXJBQSTCUMIL-UHFFFAOYSA-N 0 1 347.805 5.399 50 0 EKAAMN CC(C)N(CC(=O)c1ccc(C2CCCC2)cc1)Cc1ccccc1 ZINC000002021336 564003659 /nfs/dbraw/zinc/00/36/59/564003659.db2.gz FCQQBXIHDMJFPT-UHFFFAOYSA-N 0 1 335.491 5.438 50 0 EKAAMN C[C@H]1CC[C@@]2(C)c3c(c4ccccc4n3Cc3ccccc3)CCN2C1 ZINC000002097813 564117604 /nfs/dbraw/zinc/11/76/04/564117604.db2.gz VAABMKSTVWFIJI-UUOWRZLLSA-N 0 1 344.502 5.193 50 0 EKAAMN CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2c1OC(C)(C)C2 ZINC000002184124 563425914 /nfs/dbraw/zinc/42/59/14/563425914.db2.gz HKZOKCVWRUVYBI-UHFFFAOYSA-N 0 1 337.507 5.330 50 0 EKAAMN c1ccc([C@H]2[C@@H]3CCCC[C@]3(N3CCCC3)ON2c2ccccc2)cc1 ZINC000002184613 563425900 /nfs/dbraw/zinc/42/59/00/563425900.db2.gz SQSXAQLOKCEYPF-VABKMULXSA-N 0 1 348.490 5.162 50 0 EKAAMN CN(C)Cc1ccc(Cl)cc1Sc1ccc(Cl)cc1Cl ZINC000002187523 563426179 /nfs/dbraw/zinc/42/61/79/563426179.db2.gz WWACKUBPXMSXLM-UHFFFAOYSA-N 0 1 346.710 5.860 50 0 EKAAMN CN(C)Cc1ccc(Cl)cc1Sc1cc(Cl)ccc1Cl ZINC000002187524 563426259 /nfs/dbraw/zinc/42/62/59/563426259.db2.gz OVZAOFQPUPVZOO-UHFFFAOYSA-N 0 1 346.710 5.860 50 0 EKAAMN Cc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2-c2ccccc2)cc1C ZINC000002198573 564120827 /nfs/dbraw/zinc/12/08/27/564120827.db2.gz DSCOMJANGBSKAC-UHFFFAOYSA-N 0 1 342.417 6.167 50 0 EKAAMN Fc1ccccc1-c1nc(-c2cccc(Cl)c2)c(-c2ccccc2)[nH]1 ZINC000002309762 564132136 /nfs/dbraw/zinc/13/21/36/564132136.db2.gz MJBRCSDAUWXCMY-UHFFFAOYSA-N 0 1 348.808 6.203 50 0 EKAAMN Fc1cccc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)c1 ZINC000002309822 564132130 /nfs/dbraw/zinc/13/21/30/564132130.db2.gz BABOPPVTQJOMKJ-UHFFFAOYSA-N 0 1 348.808 6.203 50 0 EKAAMN Cc1ccccc1-c1nc(-c2ccc(F)cc2)c(-c2ccccc2)[nH]1 ZINC000002310389 564132161 /nfs/dbraw/zinc/13/21/61/564132161.db2.gz CBSXXXDYZNOJOF-UHFFFAOYSA-N 0 1 328.390 5.858 50 0 EKAAMN Fc1ccc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)cc1 ZINC000002311265 564132186 /nfs/dbraw/zinc/13/21/86/564132186.db2.gz RBMNUSLAEVLJBY-UHFFFAOYSA-N 0 1 348.808 6.203 50 0 EKAAMN Cc1nc2ccccc2c(Nc2ccccc2)c1CC=C(Cl)Cl ZINC000002322716 564132314 /nfs/dbraw/zinc/13/23/14/564132314.db2.gz BRSGSZLJTAYGGU-UHFFFAOYSA-N 0 1 343.257 6.148 50 0 EKAAMN CCN(c1nc(-c2ccccc2O)nc2ccccc21)C1CCCCC1 ZINC000002323374 564132287 /nfs/dbraw/zinc/13/22/87/564132287.db2.gz IIZDASZDINPTEF-UHFFFAOYSA-N 0 1 347.462 5.161 50 0 EKAAMN CC(C)c1ccc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)cc1 ZINC000002345929 564132503 /nfs/dbraw/zinc/13/25/03/564132503.db2.gz PDFCKZPFZQBPNK-UHFFFAOYSA-N 0 1 344.483 6.596 50 0 EKAAMN Cc1cccc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)c1 ZINC000002352446 564133069 /nfs/dbraw/zinc/13/30/69/564133069.db2.gz FIAITAXHUPNJQA-UHFFFAOYSA-N 0 1 344.845 6.373 50 0 EKAAMN Cc1ccc(C)c(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3)[nH]2)c1 ZINC000002356250 564133591 /nfs/dbraw/zinc/13/35/91/564133591.db2.gz JYCUQUBYQPPJMW-UHFFFAOYSA-N 0 1 342.417 6.167 50 0 EKAAMN Cc1cc(C)cc(Oc2nc(-c3ccccc3O)nc3ccccc32)c1 ZINC000002374537 564133873 /nfs/dbraw/zinc/13/38/73/564133873.db2.gz PCTURGNSIOXAKJ-UHFFFAOYSA-N 0 1 342.398 5.412 50 0 EKAAMN Cc1cccc(Oc2nc(-c3ccccc3O)nc3ccccc32)c1C ZINC000002387105 564134336 /nfs/dbraw/zinc/13/43/36/564134336.db2.gz HNHWSFHTKLNSPW-UHFFFAOYSA-N 0 1 342.398 5.412 50 0 EKAAMN Cc1ccc(Nc2nc(-c3ccccc3O)nc3ccccc32)c(C)c1 ZINC000002493701 563434188 /nfs/dbraw/zinc/43/41/88/563434188.db2.gz IWERXCQZESBZAK-UHFFFAOYSA-N 0 1 341.414 5.363 50 0 EKAAMN O=C(c1cccc(CN2CCCCC2)c1)c1cccc(Cl)c1Cl ZINC000002515029 563435814 /nfs/dbraw/zinc/43/58/14/563435814.db2.gz XCEFCQPNEYFTAJ-UHFFFAOYSA-N 0 1 348.273 5.210 50 0 EKAAMN O=C(c1cccc(CN2CCCCC2)c1)c1ccc(Cl)cc1Cl ZINC000002515030 563435818 /nfs/dbraw/zinc/43/58/18/563435818.db2.gz QZXGLVYVIVFGFE-UHFFFAOYSA-N 0 1 348.273 5.210 50 0 EKAAMN O=C(c1cccc(CN2CCCCC2)c1)c1cc(Cl)ccc1Cl ZINC000002515031 563435899 /nfs/dbraw/zinc/43/58/99/563435899.db2.gz UHTFXWVQTNURIT-UHFFFAOYSA-N 0 1 348.273 5.210 50 0 EKAAMN O=C(c1cccc(CN2CCCCC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000002515032 563435944 /nfs/dbraw/zinc/43/59/44/563435944.db2.gz NDRVCSVHJNHGSC-UHFFFAOYSA-N 0 1 348.273 5.210 50 0 EKAAMN O=C(c1cccc(CN2CCCCC2)c1)c1cc(Cl)cc(Cl)c1 ZINC000002515033 563435865 /nfs/dbraw/zinc/43/58/65/563435865.db2.gz LDNFVHDAOOBCIF-UHFFFAOYSA-N 0 1 348.273 5.210 50 0 EKAAMN O=C(c1ccccc1CN1CCCCC1)c1cccc(Cl)c1Cl ZINC000002515526 563436724 /nfs/dbraw/zinc/43/67/24/563436724.db2.gz MZEHULYMFISHME-UHFFFAOYSA-N 0 1 348.273 5.210 50 0 EKAAMN O=C(c1ccc(Cl)cc1Cl)c1ccccc1CN1CCCCC1 ZINC000002515527 563436594 /nfs/dbraw/zinc/43/65/94/563436594.db2.gz LNBDVTJACNOQTP-UHFFFAOYSA-N 0 1 348.273 5.210 50 0 EKAAMN O=C(c1ccccc1CN1CCCCC1)c1cc(Cl)ccc1Cl 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CCc1ccccc1-n1c(=S)[nH]nc1[C@@H]1C[C@H]1c1ccc(C)cc1 ZINC000006871116 210731694 /nfs/dbraw/zinc/73/16/94/210731694.db2.gz YYRNPNSRUBJHDG-DLBZAZTESA-N 0 1 335.476 5.072 50 0 EKAAMN CCc1ccccc1-n1c(=S)[nH]nc1[C@H]1C[C@@H]1c1ccc(C)cc1 ZINC000006871117 564100189 /nfs/dbraw/zinc/10/01/89/564100189.db2.gz YYRNPNSRUBJHDG-SJORKVTESA-N 0 1 335.476 5.072 50 0 EKAAMN CCc1ccccc1-n1c(=S)[nH]nc1[C@H]1C[C@H]1c1ccc(C)cc1 ZINC000006871118 564100220 /nfs/dbraw/zinc/10/02/20/564100220.db2.gz YYRNPNSRUBJHDG-IRXDYDNUSA-N 0 1 335.476 5.072 50 0 EKAAMN CCn1c2ccccc2c2cc(CNCc3ccccc3Cl)ccc21 ZINC000006871195 564015223 /nfs/dbraw/zinc/01/52/23/564015223.db2.gz QYPFFVQNZUNESS-UHFFFAOYSA-N 0 1 348.877 5.758 50 0 EKAAMN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCCCCC1 ZINC000007486864 564108883 /nfs/dbraw/zinc/10/88/83/564108883.db2.gz MXPRECNSISMSLV-UHFFFAOYSA-N 0 1 330.516 5.138 50 0 EKAAMN Clc1ccc(Cl)c(-c2ccc(CNCc3ccccc3)o2)c1 ZINC000007524444 564015632 /nfs/dbraw/zinc/01/56/32/564015632.db2.gz GXUMWJHZWPRGOT-UHFFFAOYSA-N 0 1 332.230 5.543 50 0 EKAAMN C[C@H](NCc1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 ZINC000007524467 563604388 /nfs/dbraw/zinc/60/43/88/563604388.db2.gz GDLAXTKNRICXES-ZDUSSCGKSA-N 0 1 346.257 6.104 50 0 EKAAMN C[C@@H](NCc1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 ZINC000007524470 563604395 /nfs/dbraw/zinc/60/43/95/563604395.db2.gz GDLAXTKNRICXES-CYBMUJFWSA-N 0 1 346.257 6.104 50 0 EKAAMN Clc1ccc(Cl)c(-c2ccc(CNCc3cccs3)o2)c1 ZINC000007524487 563604355 /nfs/dbraw/zinc/60/43/55/563604355.db2.gz ZAYTTXOVKNUFPY-UHFFFAOYSA-N 0 1 338.259 5.605 50 0 EKAAMN Clc1cc(Cl)cc(-c2ccc(CNCc3ccccc3)o2)c1 ZINC000007524664 564015639 /nfs/dbraw/zinc/01/56/39/564015639.db2.gz HYYQEPKFOMDZPH-UHFFFAOYSA-N 0 1 332.230 5.543 50 0 EKAAMN C[C@H](NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccccc1 ZINC000007524684 563604314 /nfs/dbraw/zinc/60/43/14/563604314.db2.gz KJGPUONUIWDZEC-ZDUSSCGKSA-N 0 1 346.257 6.104 50 0 EKAAMN C[C@@H](NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccccc1 ZINC000007524687 563604405 /nfs/dbraw/zinc/60/44/05/563604405.db2.gz 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CCc1ccc([C@H]2c3cccn3CCCN2Cc2cccc(F)c2)cc1 ZINC000036348076 213086171 /nfs/dbraw/zinc/08/61/71/213086171.db2.gz HMLQHABFZSHRCM-QHCPKHFHSA-N 0 1 348.465 5.185 50 0 EKAAMN Cc1ccc(C)c([C@@H]2c3cccn3CCCN2Cc2ccccc2F)c1 ZINC000036348125 213084964 /nfs/dbraw/zinc/08/49/64/213084964.db2.gz RAUFOUUWKFVESA-HSZRJFAPSA-N 0 1 348.465 5.239 50 0 EKAAMN Cc1ccc(C)c([C@H]2c3cccn3CCCN2Cc2ccccc2F)c1 ZINC000036348126 213085170 /nfs/dbraw/zinc/08/51/70/213085170.db2.gz RAUFOUUWKFVESA-QHCPKHFHSA-N 0 1 348.465 5.239 50 0 EKAAMN CCc1ccc(CN2CCCn3cccc3[C@@H]2c2cccc(F)c2)cc1 ZINC000036348249 213085585 /nfs/dbraw/zinc/08/55/85/213085585.db2.gz QQUNPKZLZCPSHA-QHCPKHFHSA-N 0 1 348.465 5.185 50 0 EKAAMN CCc1ccc(CN2CCCn3cccc3[C@H]2c2cccc(F)c2)cc1 ZINC000036348250 213086223 /nfs/dbraw/zinc/08/62/23/213086223.db2.gz QQUNPKZLZCPSHA-HSZRJFAPSA-N 0 1 348.465 5.185 50 0 EKAAMN Cc1ccc([C@@H]2c3cccn3CCCN2Cc2cccc(F)c2)c(C)c1 ZINC000036348474 213086199 /nfs/dbraw/zinc/08/61/99/213086199.db2.gz AYTIHWWOKMRHLL-HSZRJFAPSA-N 0 1 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CCc1cccc2c(C(=O)[C@@H](N[C@H](C)CC)c3ccccc3)c[nH]c21 ZINC000058166976 563938749 /nfs/dbraw/zinc/93/87/49/563938749.db2.gz WHKXEEKQWUZWAX-VFNWGFHPSA-N 0 1 334.463 5.042 50 0 EKAAMN CCCCN[C@H](C(=O)c1c[nH]c2c1cccc2CC)c1ccccc1 ZINC000058167003 563938756 /nfs/dbraw/zinc/93/87/56/563938756.db2.gz GRVZLZDZFGPLPO-NRFANRHFSA-N 0 1 334.463 5.044 50 0 EKAAMN CCCCN[C@@H](C(=O)c1c[nH]c2c1cccc2CC)c1ccccc1 ZINC000058167004 214491058 /nfs/dbraw/zinc/49/10/58/214491058.db2.gz GRVZLZDZFGPLPO-OAQYLSRUSA-N 0 1 334.463 5.044 50 0 EKAAMN CCCN(Cc1c(C)noc1C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000059350329 563948089 /nfs/dbraw/zinc/94/80/89/563948089.db2.gz SJVHLEUVLBFWMN-LBPRGKRZSA-N 0 1 341.282 5.571 50 0 EKAAMN CCCN(Cc1c(C)noc1C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000059350330 563948046 /nfs/dbraw/zinc/94/80/46/563948046.db2.gz SJVHLEUVLBFWMN-GFCCVEGCSA-N 0 1 341.282 5.571 50 0 EKAAMN Cc1noc(C)c1CN([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000059578080 564161568 /nfs/dbraw/zinc/16/15/68/564161568.db2.gz 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/nfs/dbraw/zinc/09/46/10/564094610.db2.gz OZGBCPOGKGRUHH-HNNXBMFYSA-N 0 1 348.562 5.810 50 0 EKAAMN CC(C)c1cc([C@@H]2CCCN2Cc2ccc(C(F)(F)F)cc2)on1 ZINC000064984447 563957557 /nfs/dbraw/zinc/95/75/57/563957557.db2.gz LSSMGFZUSGGOGA-INIZCTEOSA-N 0 1 338.373 5.154 50 0 EKAAMN CC(C)c1cc([C@H]2CCCN2Cc2ccc(C(F)(F)F)cc2)on1 ZINC000064984449 563957561 /nfs/dbraw/zinc/95/75/61/563957561.db2.gz LSSMGFZUSGGOGA-MRXNPFEDSA-N 0 1 338.373 5.154 50 0 EKAAMN CCCCOc1ccc(CN2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064984481 563957486 /nfs/dbraw/zinc/95/74/86/563957486.db2.gz XBKLWTFNMOONOC-HXUWFJFHSA-N 0 1 342.483 5.314 50 0 EKAAMN CCCCOc1ccc(CN2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000064984483 563957482 /nfs/dbraw/zinc/95/74/82/563957482.db2.gz XBKLWTFNMOONOC-FQEVSTJZSA-N 0 1 342.483 5.314 50 0 EKAAMN CC[C@H](NCc1cnc(-c2ccccc2C)s1)c1cc(C)ccn1 ZINC000065507753 563961724 /nfs/dbraw/zinc/96/17/24/563961724.db2.gz GQUVRNRKKCNGQK-SFHVURJKSA-N 0 1 337.492 5.063 50 0 EKAAMN CC[C@@H](NCc1cnc(-c2ccccc2C)s1)c1cc(C)ccn1 ZINC000065507755 563961691 /nfs/dbraw/zinc/96/16/91/563961691.db2.gz GQUVRNRKKCNGQK-GOSISDBHSA-N 0 1 337.492 5.063 50 0 EKAAMN Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1CCC1=CCCCC1 ZINC000067947989 563963158 /nfs/dbraw/zinc/96/31/58/563963158.db2.gz ILVQDRZFBAXHRD-UHFFFAOYSA-N 0 1 332.451 5.139 50 0 EKAAMN CC(C)(C)[C@H](NCc1csc(-c2ccsc2)n1)c1cccs1 ZINC000071822587 564175629 /nfs/dbraw/zinc/17/56/29/564175629.db2.gz OZGBCPOGKGRUHH-OAHLLOKOSA-N 0 1 348.562 5.810 50 0 EKAAMN CC(C)(C)c1cnc(CN2CCC[C@@H]2c2cccc3ccccc32)o1 ZINC000071824910 564111289 /nfs/dbraw/zinc/11/12/89/564111289.db2.gz SOHAIMWVIJPTBZ-LJQANCHMSA-N 0 1 334.463 5.462 50 0 EKAAMN C[C@H](NCc1cnc(-c2ccccc2)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000072312285 563983901 /nfs/dbraw/zinc/98/39/01/563983901.db2.gz QRMQVLLKWRLZOC-LBPRGKRZSA-N 0 1 346.261 5.234 50 0 EKAAMN C[C@H](NCc1c[nH]c(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000072312285 563983899 /nfs/dbraw/zinc/98/38/99/563983899.db2.gz QRMQVLLKWRLZOC-LBPRGKRZSA-N 0 1 346.261 5.234 50 0 EKAAMN C[C@@H](NCc1cnc(-c2ccccc2)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000072312286 563929293 /nfs/dbraw/zinc/92/92/93/563929293.db2.gz QRMQVLLKWRLZOC-GFCCVEGCSA-N 0 1 346.261 5.234 50 0 EKAAMN C[C@@H](NCc1c[nH]c(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000072312286 563929290 /nfs/dbraw/zinc/92/92/90/563929290.db2.gz QRMQVLLKWRLZOC-GFCCVEGCSA-N 0 1 346.261 5.234 50 0 EKAAMN CCCCCC(=O)Nc1cc(-c2nc3ccc(C)cc3[nH]2)ccc1C ZINC000075421475 564084586 /nfs/dbraw/zinc/08/45/86/564084586.db2.gz WTXKWFIJNUPNRV-UHFFFAOYSA-N 0 1 335.451 5.366 50 0 EKAAMN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccccc4)c3)[nH]c2c1 ZINC000075421483 564084582 /nfs/dbraw/zinc/08/45/82/564084582.db2.gz JVOPBXRUVQNKIA-UHFFFAOYSA-N 0 1 341.414 5.099 50 0 EKAAMN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccs4)c3)[nH]c2c1 ZINC000075421492 203315422 /nfs/dbraw/zinc/31/54/22/203315422.db2.gz MPGKUIOMCSMQGW-UHFFFAOYSA-N 0 1 347.443 5.161 50 0 EKAAMN Cc1ccc2nc(-c3ccc(C)c(NC(=O)C4CCCCC4)c3)[nH]c2c1 ZINC000075421494 564084577 /nfs/dbraw/zinc/08/45/77/564084577.db2.gz UTHBPGKVBGGWJG-UHFFFAOYSA-N 0 1 347.462 5.366 50 0 EKAAMN CCCc1nc2ccc(CCC(=O)Nc3ccc(C(C)C)cc3)cc2[nH]1 ZINC000075465664 564085945 /nfs/dbraw/zinc/08/59/45/564085945.db2.gz RRAAJIPPEOPXAH-UHFFFAOYSA-N 0 1 349.478 5.210 50 0 EKAAMN CCCc1nc2ccc(CCC(=O)Nc3cccc(C(C)C)c3)cc2[nH]1 ZINC000075465698 564085969 /nfs/dbraw/zinc/08/59/69/564085969.db2.gz ZCLPDCMQGAZLEO-UHFFFAOYSA-N 0 1 349.478 5.210 50 0 EKAAMN CC(C)c1nc2ccc(CCC(=O)Nc3ccc(C(C)C)cc3)cc2[nH]1 ZINC000075465756 564086055 /nfs/dbraw/zinc/08/60/55/564086055.db2.gz AKDVUOZLKJSMGC-UHFFFAOYSA-N 0 1 349.478 5.381 50 0 EKAAMN CC(C)c1nc2ccc(CCC(=O)Nc3cccc(C(C)C)c3)cc2[nH]1 ZINC000075465782 564086050 /nfs/dbraw/zinc/08/60/50/564086050.db2.gz IPNFYJJKIGITPS-UHFFFAOYSA-N 0 1 349.478 5.381 50 0 EKAAMN c1cc(-c2nc(CN[C@@H](c3ccccc3)C3CC3)cs2)cs1 ZINC000078347672 564176936 /nfs/dbraw/zinc/17/69/36/564176936.db2.gz REUIQDWGQAIPOB-KRWDZBQOSA-N 0 1 326.490 5.113 50 0 EKAAMN c1cc(-c2nc(CN[C@H](c3ccccc3)C3CC3)cs2)cs1 ZINC000078347674 564176944 /nfs/dbraw/zinc/17/69/44/564176944.db2.gz REUIQDWGQAIPOB-QGZVFWFLSA-N 0 1 326.490 5.113 50 0 EKAAMN CC(C)(C)[C@H](NCc1csc(-c2cccs2)n1)c1cccs1 ZINC000084169297 564067103 /nfs/dbraw/zinc/06/71/03/564067103.db2.gz RSAWAJBIGFADCD-OAHLLOKOSA-N 0 1 348.562 5.810 50 0 EKAAMN CC(C)(C)[C@@H](NCc1csc(-c2cccs2)n1)c1cccs1 ZINC000084169300 564067111 /nfs/dbraw/zinc/06/71/11/564067111.db2.gz RSAWAJBIGFADCD-HNNXBMFYSA-N 0 1 348.562 5.810 50 0 EKAAMN Clc1ccc2nc(-c3ccc(-c4cccc(Cl)c4)o3)[nH]c2c1 ZINC000085345285 564001219 /nfs/dbraw/zinc/00/12/19/564001219.db2.gz NRXFEHGIKVZYCA-UHFFFAOYSA-N 0 1 329.186 5.797 50 0 EKAAMN Clc1ccc2cccnc2c1CN1CC=C(c2cccs2)CC1 ZINC000089807898 564113935 /nfs/dbraw/zinc/11/39/35/564113935.db2.gz WIBMVNZWPRRNMX-UHFFFAOYSA-N 0 1 340.879 5.239 50 0 EKAAMN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000090046100 564116196 /nfs/dbraw/zinc/11/61/96/564116196.db2.gz RUGWQYOAUPOORM-VKJFTORMSA-N 0 1 349.503 5.413 50 0 EKAAMN Cc1cccc2c1[C@H](C)C[C@H]2N[C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000090046102 564116209 /nfs/dbraw/zinc/11/62/09/564116209.db2.gz RUGWQYOAUPOORM-RVKKMQEKSA-N 0 1 349.503 5.413 50 0 EKAAMN Cc1cc([C@@H](C)N[C@@H](C)c2sc(-c3cccnc3)nc2C)c(C)o1 ZINC000095421262 218363498 /nfs/dbraw/zinc/36/34/98/218363498.db2.gz ZOZDPQHMZLIPPJ-OLZOCXBDSA-N 0 1 341.480 5.135 50 0 EKAAMN Cc1cc([C@H](C)N[C@@H](C)c2sc(-c3cccnc3)nc2C)c(C)o1 ZINC000095421263 218362816 /nfs/dbraw/zinc/36/28/16/218362816.db2.gz ZOZDPQHMZLIPPJ-STQMWFEESA-N 0 1 341.480 5.135 50 0 EKAAMN Cc1cc([C@@H](C)N[C@H](C)c2sc(-c3cccnc3)nc2C)c(C)o1 ZINC000095421264 218362621 /nfs/dbraw/zinc/36/26/21/218362621.db2.gz ZOZDPQHMZLIPPJ-CHWSQXEVSA-N 0 1 341.480 5.135 50 0 EKAAMN Cc1cc([C@H](C)N[C@H](C)c2sc(-c3cccnc3)nc2C)c(C)o1 ZINC000095421265 218362950 /nfs/dbraw/zinc/36/29/50/218362950.db2.gz ZOZDPQHMZLIPPJ-QWHCGFSZSA-N 0 1 341.480 5.135 50 0 EKAAMN Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1ccc(SC(F)F)cc1 ZINC000095968011 564143114 /nfs/dbraw/zinc/14/31/14/564143114.db2.gz OQMDZDRJRLCFNJ-VHSXEESVSA-N 0 1 326.412 5.018 50 0 EKAAMN Cc1noc(C)c1[C@H](C)N[C@@H](C)c1ccc(SC(F)F)cc1 ZINC000095968012 564143152 /nfs/dbraw/zinc/14/31/52/564143152.db2.gz OQMDZDRJRLCFNJ-UWVGGRQHSA-N 0 1 326.412 5.018 50 0 EKAAMN Cc1noc(C)c1[C@@H](C)N[C@H](C)c1ccc(SC(F)F)cc1 ZINC000095968013 564143148 /nfs/dbraw/zinc/14/31/48/564143148.db2.gz OQMDZDRJRLCFNJ-NXEZZACHSA-N 0 1 326.412 5.018 50 0 EKAAMN Cc1noc(C)c1[C@H](C)N[C@H](C)c1ccc(SC(F)F)cc1 ZINC000095968014 564143154 /nfs/dbraw/zinc/14/31/54/564143154.db2.gz OQMDZDRJRLCFNJ-ZJUUUORDSA-N 0 1 326.412 5.018 50 0 EKAAMN C[C@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC000097393492 219020768 /nfs/dbraw/zinc/02/07/68/219020768.db2.gz GENIKSRZPUERKV-QWRGUYRKSA-N 0 1 329.312 5.395 50 0 EKAAMN C[C@@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC000097393493 219020868 /nfs/dbraw/zinc/02/08/68/219020868.db2.gz GENIKSRZPUERKV-MNOVXSKESA-N 0 1 329.312 5.395 50 0 EKAAMN C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1F ZINC000097393494 219021056 /nfs/dbraw/zinc/02/10/56/219021056.db2.gz GENIKSRZPUERKV-WDEREUQCSA-N 0 1 329.312 5.395 50 0 EKAAMN C[C@@H](N[C@H](C)c1cc(F)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC000097393495 219020794 /nfs/dbraw/zinc/02/07/94/219020794.db2.gz GENIKSRZPUERKV-GHMZBOCLSA-N 0 1 329.312 5.395 50 0 EKAAMN Cc1cc([C@@H]2CCCN2Cc2ccc(-c3ccccc3Cl)o2)on1 ZINC000097717028 563981812 /nfs/dbraw/zinc/98/18/12/563981812.db2.gz QZLYDAQHIHSSMQ-KRWDZBQOSA-N 0 1 342.826 5.234 50 0 EKAAMN Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(-c3ccccc3Cl)o2)on1 ZINC000097717028 563981811 /nfs/dbraw/zinc/98/18/11/563981811.db2.gz QZLYDAQHIHSSMQ-KRWDZBQOSA-N 0 1 342.826 5.234 50 0 EKAAMN Cc1cc([C@H]2CCCN2Cc2ccc(-c3ccccc3Cl)o2)on1 ZINC000097717031 219050570 /nfs/dbraw/zinc/05/05/70/219050570.db2.gz QZLYDAQHIHSSMQ-QGZVFWFLSA-N 0 1 342.826 5.234 50 0 EKAAMN CC(C)(C)c1ccc(C(=O)C=C(O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000100697964 219104222 /nfs/dbraw/zinc/10/42/22/219104222.db2.gz YSRSPEXTCODDAD-UHFFFAOYSA-N 0 1 336.475 5.737 50 0 EKAAMN CC(=O)N1c2ccccc2N=C2C[C@H](C)CC(=O)C2[C@@H]1c1ccccc1 ZINC000102602370 219213453 /nfs/dbraw/zinc/21/34/53/219213453.db2.gz YPFASWIRGYSHAH-FPTDNZKUSA-N 0 1 346.430 5.109 50 0 EKAAMN CC(=O)N1c2ccccc2N=C2C[C@@H](C)CC(=O)C2[C@@H]1c1ccccc1 ZINC000102602372 219212935 /nfs/dbraw/zinc/21/29/35/219212935.db2.gz YPFASWIRGYSHAH-PEBXRYMYSA-N 0 1 346.430 5.109 50 0 EKAAMN CC(=O)N1c2ccccc2N=C2C[C@H](C)CC(=O)C2[C@H]1c1ccccc1 ZINC000102602375 219213577 /nfs/dbraw/zinc/21/35/77/219213577.db2.gz YPFASWIRGYSHAH-RCDICMHDSA-N 0 1 346.430 5.109 50 0 EKAAMN CC(=O)N1c2ccccc2N=C2C[C@@H](C)CC(=O)C2[C@H]1c1ccccc1 ZINC000102602377 219213194 /nfs/dbraw/zinc/21/31/94/219213194.db2.gz YPFASWIRGYSHAH-JLCFBVMHSA-N 0 1 346.430 5.109 50 0 EKAAMN CCOC(=O)CC(C)=Nc1cc(-c2ccccc2)[nH]c1-c1ccccc1 ZINC000106106037 563983885 /nfs/dbraw/zinc/98/38/85/563983885.db2.gz CWOXCMDXSWAFKL-JQIJEIRASA-N 0 1 346.430 5.228 50 0 EKAAMN Oc1ccc(Cl)cc1-c1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1 ZINC000107601938 563919577 /nfs/dbraw/zinc/91/95/77/563919577.db2.gz ZLQZKHARRKYQJU-UHFFFAOYSA-N 0 1 338.716 5.122 50 0 EKAAMN c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(N3CCCC3)ON2c2ccccc2)cc1 ZINC000169621023 564083993 /nfs/dbraw/zinc/08/39/93/564083993.db2.gz SQSXAQLOKCEYPF-YTFSRNRJSA-N 0 1 348.490 5.162 50 0 EKAAMN c1ccc([C@@H]2[C@H]3CCCC[C@@]3(N3CCCC3)ON2c2ccccc2)cc1 ZINC000169621024 534499091 /nfs/dbraw/zinc/49/90/91/534499091.db2.gz SQSXAQLOKCEYPF-DNVJHFABSA-N 0 1 348.490 5.162 50 0 EKAAMN CSc1ccc(CN[C@H](C)c2nc3ccccc3n2C(C)C)cc1 ZINC000169990837 564104603 /nfs/dbraw/zinc/10/46/03/564104603.db2.gz AIDOIRJHZANUTB-OAHLLOKOSA-N 0 1 339.508 5.190 50 0 EKAAMN CSc1ccc(CN[C@@H](C)c2nc3ccccc3n2C(C)C)cc1 ZINC000169990839 564104597 /nfs/dbraw/zinc/10/45/97/564104597.db2.gz AIDOIRJHZANUTB-HNNXBMFYSA-N 0 1 339.508 5.190 50 0 EKAAMN Cc1cccc2c1[C@H](C)C[C@H]2N[C@H](C)c1nc(-c2ccncc2)cs1 ZINC000230205602 242249078 /nfs/dbraw/zinc/24/90/78/242249078.db2.gz RUGWQYOAUPOORM-IIDMSEBBSA-N 0 1 349.503 5.413 50 0 EKAAMN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H](C)c1nc(-c2ccncc2)cs1 ZINC000230205606 242249360 /nfs/dbraw/zinc/24/93/60/242249360.db2.gz RUGWQYOAUPOORM-RKVPGOIHSA-N 0 1 349.503 5.413 50 0 EKAAMN CCC[C@H](NCc1nn(C(C)C)nc1-c1ccccc1)c1ccccc1 ZINC000247965250 564132019 /nfs/dbraw/zinc/13/20/19/564132019.db2.gz BHCCSFBCDAWZSE-FQEVSTJZSA-N 0 1 348.494 5.157 50 0 EKAAMN CCC[C@@H](NCc1nn(C(C)C)nc1-c1ccccc1)c1ccccc1 ZINC000247965251 564131997 /nfs/dbraw/zinc/13/19/97/564131997.db2.gz BHCCSFBCDAWZSE-HXUWFJFHSA-N 0 1 348.494 5.157 50 0 EKAAMN CCCC[C@H]1CCCN1C(=O)c1cccc(-c2ccc3nc[nH]c3c2)c1 ZINC000426518981 563995865 /nfs/dbraw/zinc/99/58/65/563995865.db2.gz OVBKZNPLBMVBMV-IBGZPJMESA-N 0 1 347.462 5.025 50 0 EKAAMN CCCC[C@@H]1CCCN1C(=O)c1cccc(-c2ccc3nc[nH]c3c2)c1 ZINC000426518982 563995873 /nfs/dbraw/zinc/99/58/73/563995873.db2.gz OVBKZNPLBMVBMV-LJQANCHMSA-N 0 1 347.462 5.025 50 0 EKAAMN