smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(=O)c(/C=N/Cc2ccccc2)c(O)c2ccccc21 ZINC000000068326 371521740 /nfs/dbraw/zinc/52/17/40/371521740.db2.gz SQRSRRNCBJJYLN-XDHOZWIPSA-N 0 2 292.338 2.863 10 30 CFEELN N#Cc1c(O)c(Br)ccc1OC(F)F ZINC000575682124 382786133 /nfs/dbraw/zinc/78/61/33/382786133.db2.gz KPUIVDVYOQOFQK-UHFFFAOYSA-N 0 2 264.025 2.628 10 30 CFEELN CC[C@H](C#N)NC(=O)c1ccc(Cl)c(Cl)c1O ZINC000179502914 393467721 /nfs/dbraw/zinc/46/77/21/393467721.db2.gz XOYQZCBNVUMLJC-ZCFIWIBFSA-N 0 2 273.119 2.731 10 30 CFEELN C=C(C)CS(=O)(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000223440759 622986292 /nfs/dbraw/zinc/98/62/92/622986292.db2.gz CLLUAHWHUVEECJ-VIFPVBQESA-N 0 2 286.422 2.586 10 30 CFEELN O/N=C(/c1cccnn1)c1cccc(Br)c1F ZINC000584609392 348688642 /nfs/dbraw/zinc/68/86/42/348688642.db2.gz KPSUUHQLQBDFSL-LFIBNONCSA-N 0 2 296.099 2.605 10 30 CFEELN N#C[C@H]1c2cc(F)ccc2C(=O)N1c1ccc(O)cc1 ZINC000071678383 176243074 /nfs/dbraw/zinc/24/30/74/176243074.db2.gz RAYYNXCEYCKNIH-AWEZNQCLSA-N 0 2 268.247 2.756 10 30 CFEELN N#CC1c2cc(F)ccc2C(=O)N1c1ccc(O)cc1 ZINC000071678383 176243075 /nfs/dbraw/zinc/24/30/75/176243075.db2.gz RAYYNXCEYCKNIH-AWEZNQCLSA-N 0 2 268.247 2.756 10 30 CFEELN N#Cc1ccc(Cn2c[nH+]c3cccc(C(=O)[O-])c32)cc1 ZINC000075936455 176835358 /nfs/dbraw/zinc/83/53/58/176835358.db2.gz OYRJKJJZYMRVAS-UHFFFAOYSA-N 0 2 277.283 2.654 10 30 CFEELN C=C[C@@H](C(=O)[O-])[N@H+](C)Cc1csc(Br)c1 ZINC000301053104 539816106 /nfs/dbraw/zinc/81/61/06/539816106.db2.gz XNFPKSIPPKWEJV-QMMMGPOBSA-N 0 2 290.182 2.582 10 30 CFEELN C=C[C@@H](C(=O)[O-])[N@@H+](C)Cc1csc(Br)c1 ZINC000301053104 539816107 /nfs/dbraw/zinc/81/61/07/539816107.db2.gz XNFPKSIPPKWEJV-QMMMGPOBSA-N 0 2 290.182 2.582 10 30 CFEELN N#Cc1c(O)c(Br)ccc1Br ZINC000575695582 382789910 /nfs/dbraw/zinc/78/99/10/382789910.db2.gz TVLGVFZFVSDIGI-UHFFFAOYSA-N 0 2 276.915 2.789 10 30 CFEELN O=[N+]([O-])c1ccc(O)c(/C=N\c2cccc(CO)c2)c1 ZINC000008655993 170344162 /nfs/dbraw/zinc/34/41/62/170344162.db2.gz QWDLCXNDQXFPMT-NVNXTCNLSA-N 0 2 272.260 2.543 10 30 CFEELN COc1ccc2c(c1)[C@H](C#N)N(c1ccccc1O)C2=O ZINC000071678516 176243376 /nfs/dbraw/zinc/24/33/76/176243376.db2.gz OZUWXUZAMNSVNJ-AWEZNQCLSA-N 0 2 280.283 2.626 10 30 CFEELN O=[N+]([O-])c1ccc(O)c(/C=N/[C@H]2COc3ccccc32)c1 ZINC000194595542 636793693 /nfs/dbraw/zinc/79/36/93/636793693.db2.gz RTYYBRZWRDWHOD-MJOIQJIUSA-N 0 2 284.271 2.853 10 30 CFEELN N#Cc1c(O)c(Br)ccc1OC(F)(F)F ZINC000575691223 382788930 /nfs/dbraw/zinc/78/89/30/382788930.db2.gz KQIVYWCZCIYYFP-UHFFFAOYSA-N 0 2 282.015 2.925 10 30 CFEELN N#Cc1cc(Br)c(O)cc1OC(F)(F)F ZINC000575690033 382789060 /nfs/dbraw/zinc/78/90/60/382789060.db2.gz SBXDCPNVTJPRDI-UHFFFAOYSA-N 0 2 282.015 2.925 10 30 CFEELN N#C[C@H]1c2cc(F)ccc2C(=O)N1c1ccccc1O ZINC000071678381 176243304 /nfs/dbraw/zinc/24/33/04/176243304.db2.gz CDZDLBVCJJOLQN-ZDUSSCGKSA-N 0 2 268.247 2.756 10 30 CFEELN N#CC1c2cc(F)ccc2C(=O)N1c1ccccc1O ZINC000071678381 176243306 /nfs/dbraw/zinc/24/33/06/176243306.db2.gz CDZDLBVCJJOLQN-ZDUSSCGKSA-N 0 2 268.247 2.756 10 30 CFEELN CCOP(=O)(OCC)[C@@H](C(C)C)C(C#N)C#N ZINC000584601794 348685739 /nfs/dbraw/zinc/68/57/39/348685739.db2.gz BAHLOGGVZOIUGW-NSHDSACASA-N 0 2 258.258 2.940 10 30 CFEELN COc1ccc(Br)c2c1[nH]cc(C#N)c2=O ZINC000049568643 295076446 /nfs/dbraw/zinc/07/64/46/295076446.db2.gz IVSWNIKCMXITTO-UHFFFAOYSA-N 0 2 279.093 2.583 10 30 CFEELN CCOP(=O)(OCC)[C@H](C(C)C)C(C#N)C#N ZINC000584601790 348685718 /nfs/dbraw/zinc/68/57/18/348685718.db2.gz BAHLOGGVZOIUGW-LLVKDONJSA-N 0 2 258.258 2.940 10 30 CFEELN C[C@H]1C[C@@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)CC(C)(C)C1 ZINC000183196354 381234597 /nfs/dbraw/zinc/23/45/97/381234597.db2.gz PWMBJOCOTNQTFD-VHSXEESVSA-N 0 2 285.351 2.554 10 30 CFEELN O=C(/C(=N\O)c1ccccc1)N1CC[C@H](c2ccccc2)C1 ZINC000006890253 170253553 /nfs/dbraw/zinc/25/35/53/170253553.db2.gz MLZDANLGIMUNQK-NCJSADBTSA-N 0 2 294.354 2.881 10 30 CFEELN N#Cc1cc(-c2c[nH+]c(N)c(C(=O)[O-])c2)ccc1Cl ZINC000065348316 303179166 /nfs/dbraw/zinc/17/91/66/303179166.db2.gz LGOZASACPFUFJA-UHFFFAOYSA-N 0 2 273.679 2.554 10 30 CFEELN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000122618998 639264110 /nfs/dbraw/zinc/26/41/10/639264110.db2.gz OROMYWFOCLFXFT-MGPQQGTHSA-N 0 2 299.374 2.528 10 30 CFEELN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000246000678 650848139 /nfs/dbraw/zinc/84/81/39/650848139.db2.gz OROMYWFOCLFXFT-MELADBBJSA-N 0 2 299.374 2.528 10 30 CFEELN C=C[C@H](C(=O)[O-])[N@H+](C)Cc1csc(Br)c1 ZINC000301053103 539816160 /nfs/dbraw/zinc/81/61/60/539816160.db2.gz XNFPKSIPPKWEJV-MRVPVSSYSA-N 0 2 290.182 2.582 10 30 CFEELN C=C[C@H](C(=O)[O-])[N@@H+](C)Cc1csc(Br)c1 ZINC000301053103 539816165 /nfs/dbraw/zinc/81/61/65/539816165.db2.gz XNFPKSIPPKWEJV-MRVPVSSYSA-N 0 2 290.182 2.582 10 30 CFEELN O/N=C\c1cc(Br)cc(Br)c1O ZINC000098092172 303516802 /nfs/dbraw/zinc/51/68/02/303516802.db2.gz LRNICNSWROUZCF-KMKOMSMNSA-N 0 2 294.930 2.725 10 30 CFEELN COc1ccc(NN=C(C=O)C(=O)c2cccs2)cc1 ZINC000000160782 371545129 /nfs/dbraw/zinc/54/51/29/371545129.db2.gz UGVYPNCFEJCYCE-VBKFSLOCSA-N 0 2 288.328 2.606 10 30 CFEELN COC(=O)Cc1cc(C#N)cc(SC(F)(F)F)c1O ZINC000575391652 382766782 /nfs/dbraw/zinc/76/67/82/382766782.db2.gz BWGUJROZAOZJJQ-UHFFFAOYSA-N 0 2 291.250 2.591 10 30 CFEELN CC[C@@H](C#N)NC(=O)c1ccc(Cl)c(Cl)c1O ZINC000179502904 393468178 /nfs/dbraw/zinc/46/81/78/393468178.db2.gz XOYQZCBNVUMLJC-LURJTMIESA-N 0 2 273.119 2.731 10 30 CFEELN C#CC(C)(C)Nc1ccc2c(cccc2C(=O)[O-])[nH+]1 ZINC000070469857 175948978 /nfs/dbraw/zinc/94/89/78/175948978.db2.gz JRHMEWSEPCKKON-UHFFFAOYSA-N 0 2 254.289 2.757 10 30 CFEELN CC(C)(C)N1C(=O)c2c(cc(F)c(F)c2F)C1C#N ZINC000071680062 176245002 /nfs/dbraw/zinc/24/50/02/176245002.db2.gz DNTIYDMNCRMIQT-MRVPVSSYSA-N 0 2 268.238 2.923 10 30 CFEELN N#Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000083328173 303187363 /nfs/dbraw/zinc/18/73/63/303187363.db2.gz YTIPXVOVERFPRS-SXGWCWSVSA-N 0 2 267.244 2.923 10 30 CFEELN N#Cc1c[nH]c2c(F)cc(Br)cc2c1=O ZINC000019470032 303213636 /nfs/dbraw/zinc/21/36/36/303213636.db2.gz CPBHOXLHERCFLB-UHFFFAOYSA-N 0 2 267.057 2.714 10 30 CFEELN CCOC(=O)[C@@H](C(=O)c1cccc(C#N)c1)C(C)C ZINC000675072460 545562511 /nfs/dbraw/zinc/56/25/11/545562511.db2.gz HCTKNEWWJSBDBD-CYBMUJFWSA-N 0 2 259.305 2.576 10 30 CFEELN C[C@@H]1CC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3o2)O1 ZINC000177698798 618041275 /nfs/dbraw/zinc/04/12/75/618041275.db2.gz YZYBEAVDBPXBFD-GIPNMCIBSA-N 0 2 270.288 2.572 10 30 CFEELN C=C(C)CS(=O)(=O)Nc1nc(C(C)(C)C)cs1 ZINC000223440663 622986697 /nfs/dbraw/zinc/98/66/97/622986697.db2.gz HJSLUHBNLSCOFP-UHFFFAOYSA-N 0 2 274.411 2.758 10 30 CFEELN N#Cc1cc(Br)cc(O)c1Br ZINC000575693660 382789495 /nfs/dbraw/zinc/78/94/95/382789495.db2.gz CIBOUMNRQNJCMB-UHFFFAOYSA-N 0 2 276.915 2.789 10 30 CFEELN COc1cc2c(c(F)c1)C(=O)N(c1ccc(O)cc1)[C@H]2C#N ZINC000071679473 176244358 /nfs/dbraw/zinc/24/43/58/176244358.db2.gz ZXOBIFPUBCQTOJ-AWEZNQCLSA-N 0 2 298.273 2.765 10 30 CFEELN COc1cc2c(c(F)c1)C(=O)N(c1ccc(O)cc1)C2C#N ZINC000071679473 176244359 /nfs/dbraw/zinc/24/43/59/176244359.db2.gz ZXOBIFPUBCQTOJ-AWEZNQCLSA-N 0 2 298.273 2.765 10 30 CFEELN CC(C)(CO)N1C(=O)c2c(c(Cl)ccc2Cl)C1C#N ZINC000071681450 176245302 /nfs/dbraw/zinc/24/53/02/176245302.db2.gz QFGUBBUXMBQKQA-SECBINFHSA-N 0 2 299.157 2.785 10 30 CFEELN CC(C)(CO)N1C(=O)c2c(c(Cl)ccc2Cl)[C@H]1C#N ZINC000071681450 176245304 /nfs/dbraw/zinc/24/53/04/176245304.db2.gz QFGUBBUXMBQKQA-SECBINFHSA-N 0 2 299.157 2.785 10 30 CFEELN CC[C@@H](CO)N1C(=O)c2c(c(Cl)ccc2Cl)C1C#N ZINC000071681445 176245742 /nfs/dbraw/zinc/24/57/42/176245742.db2.gz ZRWSDHFJKPNVCW-OIBJUYFYSA-N 0 2 299.157 2.785 10 30 CFEELN CC[C@@H](CO)N1C(=O)c2c(c(Cl)ccc2Cl)[C@H]1C#N ZINC000071681445 176245744 /nfs/dbraw/zinc/24/57/44/176245744.db2.gz ZRWSDHFJKPNVCW-OIBJUYFYSA-N 0 2 299.157 2.785 10 30 CFEELN CN(C)c1nc(-c2ccccc2O)nc2ccc(C#N)cc21 ZINC000115194150 347777541 /nfs/dbraw/zinc/77/75/41/347777541.db2.gz UDWGVMIQFPNMDR-UHFFFAOYSA-N 0 2 290.326 2.940 10 30 CFEELN O=[N+]([O-])c1ccc(O)c(C=Nc2ccccc2O)c1 ZINC000254392370 348301934 /nfs/dbraw/zinc/30/19/34/348301934.db2.gz IVLAJZAWUQXYSU-UHFFFAOYSA-N 0 2 258.233 2.757 10 30 CFEELN O/N=C/C/N=N/[C@@H](/C=N/O)c1ccccc1Cl ZINC000584642660 383113234 /nfs/dbraw/zinc/11/32/34/383113234.db2.gz FIERHHWTXBMESZ-VDQLRNFOSA-N 0 2 254.677 2.753 10 30 CFEELN O/N=C/C/N=N/[C@H](/C=N/O)c1ccccc1Cl ZINC000584642661 383113262 /nfs/dbraw/zinc/11/32/62/383113262.db2.gz FIERHHWTXBMESZ-XODRPBGUSA-N 0 2 254.677 2.753 10 30 CFEELN C=C[C@@H]1C[C@H](C)C[C@H](C)[C@H]1c1c(O)ccn(O)c1=O ZINC000096327860 393819478 /nfs/dbraw/zinc/81/94/78/393819478.db2.gz OQJADHLOEAOIGC-LSCVPOLPSA-N 0 2 263.337 2.743 10 30 CFEELN CC(C)CSc1nnc(N[NH+]=Cc2cccc(O)c2)[n-]1 ZINC000020906515 171279219 /nfs/dbraw/zinc/27/92/19/171279219.db2.gz PLIQYXBVIKEOMY-VGOFMYFVSA-N 0 2 291.380 2.704 10 30 CFEELN CN(CCC#N)C(=O)c1ccc(Cl)c(Cl)c1O ZINC000153181858 261074767 /nfs/dbraw/zinc/07/47/67/261074767.db2.gz DISFLPHZWCPZHI-UHFFFAOYSA-N 0 2 273.119 2.685 10 30 CFEELN C[C@@H](C#N)CNC(=O)c1ccc(Cl)c(Cl)c1O ZINC000176077904 327783655 /nfs/dbraw/zinc/78/36/55/327783655.db2.gz BUPLFUBYANFFBJ-LURJTMIESA-N 0 2 273.119 2.588 10 30 CFEELN O/N=C/c1cc(Br)cc(Cl)c1O ZINC000253560915 328115617 /nfs/dbraw/zinc/11/56/17/328115617.db2.gz BKURFPBLGDWAMT-XCVCLJGOSA-N 0 2 250.479 2.616 10 30 CFEELN N#C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1O)C1CC1 ZINC000179556077 335500502 /nfs/dbraw/zinc/50/05/02/335500502.db2.gz JWKXENRQWDRSPV-VIFPVBQESA-N 0 2 285.130 2.731 10 30 CFEELN COc1ccc(Cl)c2c1C(=O)N(c1cccnc1)C2C#N ZINC000071680826 176244870 /nfs/dbraw/zinc/24/48/70/176244870.db2.gz NRBPBRMFPUTJCA-LLVKDONJSA-N 0 2 299.717 2.969 10 30 CFEELN C[C@@H]1CC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3o2)O1 ZINC000248296650 650930471 /nfs/dbraw/zinc/93/04/71/650930471.db2.gz YZYBEAVDBPXBFD-GBIKHYSHSA-N 0 2 270.288 2.572 10 30 CFEELN N#Cc1c[nH]c2cc(F)cc(OC3CCOCC3)c2c1=O ZINC000095937957 185035117 /nfs/dbraw/zinc/03/51/17/185035117.db2.gz KHTVVHHRVQJJSS-UHFFFAOYSA-N 0 2 288.278 2.509 10 30 CFEELN Cc1noc(/N=C/c2cc([N+](=O)[O-])ccc2O)c1C ZINC000584621599 348693003 /nfs/dbraw/zinc/69/30/03/348693003.db2.gz CILLHWREOCPNKV-AWNIVKPZSA-N 0 2 261.237 2.656 10 30 CFEELN O/N=C\c1cc(Br)c(O)c(Br)c1 ZINC000100303515 375618233 /nfs/dbraw/zinc/61/82/33/375618233.db2.gz UVKQTDFYDUQTKK-KMKOMSMNSA-N 0 2 294.930 2.725 10 30 CFEELN Fc1ccccc1C=NN1C(=S)N=NC1C(F)F ZINC000254729913 383470169 /nfs/dbraw/zinc/47/01/69/383470169.db2.gz LVWBFOKKZAXNAR-UHFFFAOYSA-N 0 2 272.255 2.526 10 30 CFEELN COc1cc2c(c(F)c1)C(=O)N(C1CCCC1)[C@@H]2C#N ZINC000071679412 176244279 /nfs/dbraw/zinc/24/42/79/176244279.db2.gz CZUZPMRPSPBXJZ-CYBMUJFWSA-N 0 2 274.295 2.797 10 30 CFEELN COc1cc2c(c(F)c1)C(=O)N(C1CCCC1)C2C#N ZINC000071679412 176244281 /nfs/dbraw/zinc/24/42/81/176244281.db2.gz CZUZPMRPSPBXJZ-CYBMUJFWSA-N 0 2 274.295 2.797 10 30 CFEELN O/N=C/c1ccc(Br)c2cccnc12 ZINC000165539976 348040260 /nfs/dbraw/zinc/04/02/60/348040260.db2.gz KPUNUPJPDZATGH-AWNIVKPZSA-N 0 2 251.083 2.805 10 30 CFEELN C=C[C@H](C(=O)[O-])[N@H+](C)Cc1cc(Br)cs1 ZINC000301052924 539816173 /nfs/dbraw/zinc/81/61/73/539816173.db2.gz XDGJMHFBIFJAKL-SECBINFHSA-N 0 2 290.182 2.582 10 30 CFEELN C=C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Br)cs1 ZINC000301052924 539816175 /nfs/dbraw/zinc/81/61/75/539816175.db2.gz XDGJMHFBIFJAKL-SECBINFHSA-N 0 2 290.182 2.582 10 30 CFEELN CC(C)CSc1nnc(NN=Cc2ccc(O)cc2)[nH]1 ZINC000020468757 171210436 /nfs/dbraw/zinc/21/04/36/171210436.db2.gz LSNPRUSITARWLQ-VGOFMYFVSA-N 0 2 291.380 2.704 10 30 CFEELN CC(C)CSc1nnc(N[NH+]=Cc2ccc(O)cc2)[n-]1 ZINC000020468757 171210439 /nfs/dbraw/zinc/21/04/39/171210439.db2.gz LSNPRUSITARWLQ-VGOFMYFVSA-N 0 2 291.380 2.704 10 30 CFEELN N#CC1c2cc(F)cc(F)c2C(=O)N1Cc1ccncc1 ZINC000071679047 176243502 /nfs/dbraw/zinc/24/35/02/176243502.db2.gz GSAOOXXZEGASRD-ZDUSSCGKSA-N 0 2 285.253 2.580 10 30 CFEELN N#C[C@H]1c2cc(F)cc(F)c2C(=O)N1Cc1ccncc1 ZINC000071679047 176243503 /nfs/dbraw/zinc/24/35/03/176243503.db2.gz GSAOOXXZEGASRD-ZDUSSCGKSA-N 0 2 285.253 2.580 10 30 CFEELN N#Cc1cccc(-c2[nH+]c(C(=O)[O-])n3ccccc23)c1 ZINC000536957078 330383361 /nfs/dbraw/zinc/38/33/61/330383361.db2.gz BLWUNZQKTPBFAI-UHFFFAOYSA-N 0 2 263.256 2.571 10 30 CFEELN CC(=NNc1nnc(C(C)(C)C)c(=O)[nH]1)c1ccc(C)cc1 ZINC000004136562 371836145 /nfs/dbraw/zinc/83/61/45/371836145.db2.gz CYZWVQFTHPYHTH-WOJGMQOQSA-N 0 2 299.378 2.607 10 30 CFEELN C#Cc1cccc(NS(=O)(=O)c2cnc(Cl)s2)c1 ZINC000035233085 172072555 /nfs/dbraw/zinc/07/25/55/172072555.db2.gz MMZMRPQUTOHOGA-UHFFFAOYSA-N 0 2 298.776 2.579 10 30 CFEELN C[C@H](CC#N)NC(=O)c1ccc(Cl)c(Cl)c1O ZINC000106912765 327246870 /nfs/dbraw/zinc/24/68/70/327246870.db2.gz NTNTXGBWLQCAGY-ZCFIWIBFSA-N 0 2 273.119 2.731 10 30 CFEELN C[C@@H]1CC[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3o2)O1 ZINC000177698816 618041647 /nfs/dbraw/zinc/04/16/47/618041647.db2.gz YZYBEAVDBPXBFD-BREBYQMCSA-N 0 2 270.288 2.572 10 30 CFEELN N#Cc1cccc(/N=C\c2cc([N+](=O)[O-])ccc2O)c1 ZINC000095938520 185034841 /nfs/dbraw/zinc/03/48/41/185034841.db2.gz JHWIEAFZLFHCJM-SXGWCWSVSA-N 0 2 267.244 2.923 10 30 CFEELN N#Cc1cc(I)c(O)c(C(F)F)c1 ZINC000575669316 382783167 /nfs/dbraw/zinc/78/31/67/382783167.db2.gz SBMNYDSPJPHPDD-UHFFFAOYSA-N 0 2 295.026 2.806 10 30 CFEELN CC[C@H](C)N1C(=O)c2c(cc(F)c(F)c2F)C1C#N ZINC000071680061 176245031 /nfs/dbraw/zinc/24/50/31/176245031.db2.gz UYDBGOAYRALRIT-RCOVLWMOSA-N 0 2 268.238 2.923 10 30 CFEELN N#C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1O)C1CC1 ZINC000179556086 380556159 /nfs/dbraw/zinc/55/61/59/380556159.db2.gz JWKXENRQWDRSPV-SECBINFHSA-N 0 2 285.130 2.731 10 30 CFEELN N#Cc1cc(O)c(Br)cc1Br ZINC000575694149 382789353 /nfs/dbraw/zinc/78/93/53/382789353.db2.gz JJOFNCRTSRKBOG-UHFFFAOYSA-N 0 2 276.915 2.789 10 30 CFEELN N#Cc1cc(O)c(Br)c(Br)c1 ZINC000575693566 382789399 /nfs/dbraw/zinc/78/93/99/382789399.db2.gz AOZLKRNHPHILAA-UHFFFAOYSA-N 0 2 276.915 2.789 10 30 CFEELN C/C(c1cccs1)=[N+](/O)[C@H](C)/C(=N/[O-])c1ccco1 ZINC000575346592 382760663 /nfs/dbraw/zinc/76/06/63/382760663.db2.gz XMZDDIRENWKSDS-SLPQALIWSA-O 0 2 279.341 2.819 10 30 CFEELN 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