smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1 ZINC000005579309 181259901 /nfs/dbraw/zinc/25/99/01/181259901.db2.gz FCGNGQWGUIPQQN-UHFFFAOYSA-N -1 1 323.417 4.048 40 0 DIABMM Cc1cnc(Nc2ccc(C34CCC(CC3)CC4)cc2)[n-]c1=O ZINC000408979962 257225020 /nfs/dbraw/zinc/22/50/20/257225020.db2.gz OYSVLJRBOIEFEY-UHFFFAOYSA-N -1 1 309.413 4.456 40 0 DIABMM CC1(C)[C@@H](c2nc3ccc(Cl)cc3[nH]2)CC[C@@]1(C)C(=O)[O-] ZINC000006855899 563822085 /nfs/dbraw/zinc/82/20/85/563822085.db2.gz OYOJTMJWKBYBKK-HWPZZCPQSA-N -1 1 306.793 4.211 40 0 DIABMM FC(F)c1n[nH]c(SCc2ccc(Cl)cc2Cl)n1 ZINC000216902314 1041804770 /nfs/dbraw/zinc/80/47/70/1041804770.db2.gz PUALHQUOOZOLJB-UHFFFAOYSA-N -1 1 310.156 4.341 40 0 DIABMM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(C)C)ccc1F ZINC000096659300 185385035 /nfs/dbraw/zinc/38/50/35/185385035.db2.gz YCQXDAIJMGKTMD-UHFFFAOYSA-N -1 1 307.390 4.058 40 0 DIABMM O=S(=O)([N-]c1ccc2c(c1)oc1ccccc12)c1ccccc1 ZINC000005557849 181256872 /nfs/dbraw/zinc/25/68/72/181256872.db2.gz POBYYEUDOHZSEQ-UHFFFAOYSA-N -1 1 323.373 4.387 40 0 DIABMM CCc1ccc2oc(-c3ccc(NC(=O)C(C)C)cc3[O-])nc2c1 ZINC000070462049 563813230 /nfs/dbraw/zinc/81/32/30/563813230.db2.gz OZGHXMJTMKNKCM-UHFFFAOYSA-N -1 1 324.380 4.357 40 0 DIABMM CCOc1ccc2ccccc2c1-c1cc([O-])nc(=S)s1 ZINC000008782837 563927454 /nfs/dbraw/zinc/92/74/54/563927454.db2.gz KTMGUYCECVNXKX-UHFFFAOYSA-N -1 1 315.419 4.385 40 0 DIABMM CCOc1ccc2ccccc2c1-c1cc(=O)[n-]c(=S)s1 ZINC000008782837 563927455 /nfs/dbraw/zinc/92/74/55/563927455.db2.gz KTMGUYCECVNXKX-UHFFFAOYSA-N -1 1 315.419 4.385 40 0 DIABMM CC(C)c1ccc(CNn2c(=S)[n-]nc2-c2ccccc2)cc1 ZINC000007601543 563640565 /nfs/dbraw/zinc/64/05/65/563640565.db2.gz KWSPMRZBPHHZJE-UHFFFAOYSA-N -1 1 324.453 4.475 40 0 DIABMM O=C([O-])c1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000033559117 563857584 /nfs/dbraw/zinc/85/75/84/563857584.db2.gz QPZILYADFHQFQV-UHFFFAOYSA-N -1 1 307.136 4.235 40 0 DIABMM CC(C)CC(=O)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1 ZINC000020158422 182193938 /nfs/dbraw/zinc/19/39/38/182193938.db2.gz IIHWSEQCKOCORV-UHFFFAOYSA-N -1 1 310.353 4.185 40 0 DIABMM Oc1cc2ccccc2cc1-c1n[n-]c(=S)n1Cc1ccco1 ZINC000013123824 563657377 /nfs/dbraw/zinc/65/73/77/563657377.db2.gz UHTWFKVVFKCPHS-UHFFFAOYSA-N -1 1 323.377 4.108 40 0 DIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)CC2 ZINC000107423117 563683754 /nfs/dbraw/zinc/68/37/54/563683754.db2.gz JFOLGXHSUIOMKQ-UHFFFAOYSA-N -1 1 323.417 4.048 40 0 DIABMM CC1(C)[C@H](c2nc3ccc(Cl)cc3[nH]2)CC[C@]1(C)C(=O)[O-] ZINC000006855892 563822165 /nfs/dbraw/zinc/82/21/65/563822165.db2.gz OYOJTMJWKBYBKK-MGPLVRAMSA-N -1 1 306.793 4.211 40 0 DIABMM CCCCOc1ccc(-c2nc3ccccc3c(=O)[n-]2)cc1OC ZINC000575410997 563856110 /nfs/dbraw/zinc/85/61/10/563856110.db2.gz UDAFNJZESLARIC-UHFFFAOYSA-N -1 1 324.380 4.190 40 0 DIABMM O=S(=O)([N-]c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000003152802 563905711 /nfs/dbraw/zinc/90/57/11/563905711.db2.gz MVOSRXKMYZOQDM-UHFFFAOYSA-N -1 1 309.390 4.154 40 0 DIABMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000007402239 181462294 /nfs/dbraw/zinc/46/22/94/181462294.db2.gz XIUNRCJZEMMSHU-UHFFFAOYSA-N -1 1 309.818 4.264 40 0 DIABMM CCCC(=O)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1 ZINC000020158439 182194247 /nfs/dbraw/zinc/19/42/47/182194247.db2.gz WSZRMSOIBDSCQU-UHFFFAOYSA-N -1 1 312.394 4.408 40 0 DIABMM COc1ccc(SCc2nnc([N-]c3ccccc3)o2)cc1 ZINC000041104941 183165865 /nfs/dbraw/zinc/16/58/65/183165865.db2.gz YBJJSXXKNCUKPA-UHFFFAOYSA-N -1 1 313.382 4.114 40 0 DIABMM S=c1[n-]nc(-c2ccccc2)n1NCc1cccc(Cl)c1 ZINC000007601532 563640219 /nfs/dbraw/zinc/64/02/19/563640219.db2.gz OKIWRXCCFBBVDJ-UHFFFAOYSA-N -1 1 316.817 4.005 40 0 DIABMM O=S(=O)([N-]c1ccc2c3c(cccc31)C=C2)c1ccccc1 ZINC000001698332 563291942 /nfs/dbraw/zinc/29/19/42/563291942.db2.gz ZNJFBBYEIHKWJS-UHFFFAOYSA-N -1 1 307.374 4.124 40 0 DIABMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000000442159 563630208 /nfs/dbraw/zinc/63/02/08/563630208.db2.gz ZSDJLKZEGCZDGX-UHFFFAOYSA-N -1 1 311.406 4.257 40 0 DIABMM S=c1[n-]nc(-c2ccccc2)n1NCc1ccccc1Cl ZINC000007601531 563640655 /nfs/dbraw/zinc/64/06/55/563640655.db2.gz UAPCPJXNJPKVEG-UHFFFAOYSA-N -1 1 316.817 4.005 40 0 DIABMM Cc1ccc(OCc2n[n-]c(=S)n2C2CCCCC2)cc1 ZINC000013113537 563656904 /nfs/dbraw/zinc/65/69/04/563656904.db2.gz MXJSDZMZXFRRCO-UHFFFAOYSA-N -1 1 303.431 4.333 40 0 DIABMM CCC(=O)Nc1ccc(-c2nc3cc(CC)ccc3o2)c([O-])c1 ZINC000070462038 563812841 /nfs/dbraw/zinc/81/28/41/563812841.db2.gz OEAGXDSRVSCNNJ-UHFFFAOYSA-N -1 1 310.353 4.111 40 0 DIABMM CCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)c([O-])c1 ZINC000070462041 563813146 /nfs/dbraw/zinc/81/31/46/563813146.db2.gz IPASEGBGVRSQIP-UHFFFAOYSA-N -1 1 310.353 4.247 40 0 DIABMM CC1(C)[C@H](c2nc3ccc(Cl)cc3[nH]2)CC[C@@]1(C)C(=O)[O-] ZINC000006855890 563822231 /nfs/dbraw/zinc/82/22/31/563822231.db2.gz OYOJTMJWKBYBKK-QFYYESIMSA-N -1 1 306.793 4.211 40 0 DIABMM O=C([O-])c1cc2[nH]c(-c3ccccc3Cl)nc2c(Cl)c1 ZINC000216921348 563858390 /nfs/dbraw/zinc/85/83/90/563858390.db2.gz RNVUVEOWERMXGN-UHFFFAOYSA-N -1 1 307.136 4.235 40 0 DIABMM O=S(=O)([N-]c1ccc2[nH]c3ccccc3c2c1)c1ccccc1 ZINC000044781833 1041900187 /nfs/dbraw/zinc/90/01/87/1041900187.db2.gz JBGKKUCSZVBKTC-UHFFFAOYSA-N -1 1 322.389 4.122 40 0 DIABMM O=c1cc(-c2cccc3ccccc32)nc(Nc2ccccc2)[n-]1 ZINC000020798234 182247357 /nfs/dbraw/zinc/24/73/57/182247357.db2.gz NFRAOARPQZDWPG-UHFFFAOYSA-N -1 1 313.360 4.334 40 0 DIABMM Cc1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)CC3)c1 ZINC000226862198 563605552 /nfs/dbraw/zinc/60/55/52/563605552.db2.gz GVNBRZOXSKDAEH-UHFFFAOYSA-N -1 1 323.417 4.048 40 0 DIABMM Cc1ccc(SCc2cc(=O)[n-]c(Nc3ccccc3)n2)cc1 ZINC000009939302 563645969 /nfs/dbraw/zinc/64/59/69/563645969.db2.gz DHTDTOXVIWXFRN-UHFFFAOYSA-N -1 1 323.421 4.114 40 0 DIABMM COc1c(Cl)cc(C=C2SC(=S)[N-]C2=O)cc1Cl ZINC000033396834 563769663 /nfs/dbraw/zinc/76/96/63/563769663.db2.gz WOUMTBMDJQXRQG-YWEYNIOJSA-N -1 1 320.222 4.331 40 0 DIABMM O=C([O-])c1cccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 ZINC000033559119 563857673 /nfs/dbraw/zinc/85/76/73/563857673.db2.gz NYCRZYQUFOLPAY-UHFFFAOYSA-N -1 1 307.136 4.235 40 0 DIABMM CC(C)(C)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000020158357 182193186 /nfs/dbraw/zinc/19/31/86/182193186.db2.gz RQBJCNGSGKSVFQ-UHFFFAOYSA-N -1 1 310.353 4.185 40 0 DIABMM CCCc1c(=O)[n-]c(Nc2ccccc2)nc1-c1ccccc1 ZINC000020634947 182240308 /nfs/dbraw/zinc/24/03/08/182240308.db2.gz QRPYICSHWUAQEH-UHFFFAOYSA-N -1 1 305.381 4.133 40 0 DIABMM Nc1ccc(NC(=O)c2ccc3ccccc3c2[O-])c(Cl)c1 ZINC000001596941 563287070 /nfs/dbraw/zinc/28/70/70/563287070.db2.gz WCILLABDKIZPNK-UHFFFAOYSA-N -1 1 312.756 4.033 40 0 DIABMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3ccccc3c2)c1 ZINC000007053603 563335785 /nfs/dbraw/zinc/33/57/85/563335785.db2.gz VRVGKBPSDKTUAX-UHFFFAOYSA-N -1 1 311.406 4.257 40 0 DIABMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(C)C)c1 ZINC000007056171 563336474 /nfs/dbraw/zinc/33/64/74/563336474.db2.gz KBUMHZIEKRKHPP-UHFFFAOYSA-N -1 1 303.427 4.228 40 0 DIABMM O=C(Nc1ccccc1)c1cc2c(cc1[O-])[nH]c1ccccc12 ZINC000098177437 563543975 /nfs/dbraw/zinc/54/39/75/563543975.db2.gz XDCTVFJNJVPBOF-UHFFFAOYSA-N -1 1 302.333 4.279 40 0 DIABMM O=C([N-]c1c(F)cccc1F)c1cc(-c2ccc(F)cc2)on1 ZINC000134723325 563607010 /nfs/dbraw/zinc/60/70/10/563607010.db2.gz OBMSTEJODXOLES-UHFFFAOYSA-N -1 1 318.254 4.011 40 0 DIABMM S=c1[n-]nc(-c2ccccc2)n1NCc1ccc(Cl)cc1 ZINC000007601456 563640553 /nfs/dbraw/zinc/64/05/53/563640553.db2.gz QPWFPRKVUGVOJX-UHFFFAOYSA-N -1 1 316.817 4.005 40 0 DIABMM Cc1ccccc1OCc1n[n-]c(=S)n1C1CCCCC1 ZINC000013535177 563659927 /nfs/dbraw/zinc/65/99/27/563659927.db2.gz ACJHFAAVTURILM-UHFFFAOYSA-N -1 1 303.431 4.333 40 0 DIABMM CC(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)c([O-])c1 ZINC000070462035 563812753 /nfs/dbraw/zinc/81/27/53/563812753.db2.gz ZYEWJQITCVODBI-UHFFFAOYSA-N -1 1 310.353 4.282 40 0 DIABMM O=C([O-])c1cc2[nH]c(-c3cccc(Cl)c3)nc2c(Cl)c1 ZINC000216921893 563858490 /nfs/dbraw/zinc/85/84/90/563858490.db2.gz SEZMPJJNJSCZMR-UHFFFAOYSA-N -1 1 307.136 4.235 40 0 DIABMM O=c1c(-c2ccccc2)c([O-])[nH]c2cccc(Br)c12 ZINC000685937204 563927084 /nfs/dbraw/zinc/92/70/84/563927084.db2.gz MYOMDCSWHPFAHE-UHFFFAOYSA-N -1 1 316.154 4.076 40 0 DIABMM CC(C)=CCCC(C)=CCCC(C)C(=O)C[P@](=O)([O-])O ZINC000113210649 563927594 /nfs/dbraw/zinc/92/75/94/563927594.db2.gz ACBOJOPFHNLMLX-JIIHXHDGSA-N -1 1 302.351 4.469 40 0 DIABMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1 ZINC000007402726 563338533 /nfs/dbraw/zinc/33/85/33/563338533.db2.gz FDHQRMPRVPGIMZ-UHFFFAOYSA-N -1 1 309.818 4.066 40 0 DIABMM CCCc1n[n-]c(=S)n1NCc1ccc(-c2ccccc2)cc1 ZINC000007601382 563640547 /nfs/dbraw/zinc/64/05/47/563640547.db2.gz DSQPVFKHRLTHCH-UHFFFAOYSA-N -1 1 324.453 4.304 40 0 DIABMM CCSc1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000223674454 563735135 /nfs/dbraw/zinc/73/51/35/563735135.db2.gz QYQDHODAVIDBOC-UHFFFAOYSA-N -1 1 321.467 4.216 40 0 DIABMM Cc1cc(S(=O)(=O)[N-]c2ccc3ccccc3c2)ccc1F ZINC000041091285 183164231 /nfs/dbraw/zinc/16/42/31/183164231.db2.gz ZKTIQDNFXLVDCG-UHFFFAOYSA-N -1 1 315.369 4.088 40 0 DIABMM Cc1ccc(Sc2ccc(C=C3SC(=O)[N-]C3=O)o2)cc1 ZINC000059137805 257217293 /nfs/dbraw/zinc/21/72/93/257217293.db2.gz BLOZUNAHWBNUFZ-XYOKQWHBSA-N -1 1 317.391 4.063 40 0 DIABMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000014254367 563399796 /nfs/dbraw/zinc/39/97/96/563399796.db2.gz MEMMCGMUXZAFCG-UHFFFAOYSA-N -1 1 309.818 4.264 40 0 DIABMM [O-]c1c(Br)ccc2cc(OC(F)(F)F)ccc12 ZINC000095611611 185382592 /nfs/dbraw/zinc/38/25/92/185382592.db2.gz NEDQVJCKZWBUGO-UHFFFAOYSA-N -1 1 307.065 4.207 40 0 DIABMM Cc1cc(Br)cc(C)c1NC(=O)c1ccccc1[O-] ZINC000020045864 182183888 /nfs/dbraw/zinc/18/38/88/182183888.db2.gz QEAMCYJNRRBISH-UHFFFAOYSA-N -1 1 320.186 4.024 40 0 DIABMM Cc1ccc2oc(-c3ccc(NC(=O)CC(C)C)cc3[O-])nc2c1 ZINC000070462053 563813078 /nfs/dbraw/zinc/81/30/78/563813078.db2.gz LJRINKAPCKLFKY-UHFFFAOYSA-N -1 1 324.380 4.493 40 0 DIABMM Cc1ccc2oc(-c3ccc(NC(=O)C(C)(C)C)cc3[O-])nc2c1 ZINC000070462054 563813203 /nfs/dbraw/zinc/81/32/03/563813203.db2.gz PKVJSQIXVGDYMG-UHFFFAOYSA-N -1 1 324.380 4.493 40 0 DIABMM CC(C)=CCCC(C)=CCCC(C)C(=O)C[P@](=O)([O-])O ZINC000113210647 563927590 /nfs/dbraw/zinc/92/75/90/563927590.db2.gz ACBOJOPFHNLMLX-WISUYLHISA-N -1 1 302.351 4.469 40 0 DIABMM CC(C)=CCc1c([O-])ccc2c1O[C@@H](c1ccc(O)cc1)CC2=O ZINC000003650002 181043339 /nfs/dbraw/zinc/04/33/39/181043339.db2.gz KYFBXCHUXFKMGQ-LJQANCHMSA-N -1 1 324.376 4.313 40 0 biogenic,in-vitro DIABMM CC(C)=CCCC(C)=CCCC(C)C(=O)C[P@](=O)([O-])O ZINC000113210651 563927532 /nfs/dbraw/zinc/92/75/32/563927532.db2.gz ACBOJOPFHNLMLX-BBXOWAOSSA-N -1 1 302.351 4.469 40 0 DIABMM [O-]c1c(Br)ccc2c(OC(F)(F)F)cccc12 ZINC000095486403 185373961 /nfs/dbraw/zinc/37/39/61/185373961.db2.gz NQNRDINAJWHNOP-UHFFFAOYSA-N -1 1 307.065 4.207 40 0 DIABMM Cc1ccc2oc(-c3ccc(NC(=O)C(C)C)cc3[O-])nc2c1 ZINC000070462048 190899092 /nfs/dbraw/zinc/89/90/92/190899092.db2.gz PCHCUWLTGRPSQK-UHFFFAOYSA-N -1 1 310.353 4.103 40 0 DIABMM COc1ccc2oc(C(=O)Nc3ccc(Cl)cc3[O-])cc2c1 ZINC000409187851 257221020 /nfs/dbraw/zinc/22/10/20/257221020.db2.gz VBRAABHAYMAZTN-UHFFFAOYSA-N -1 1 317.728 4.053 40 0 DIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000111942310 563650889 /nfs/dbraw/zinc/65/08/89/563650889.db2.gz LGXUWDFMCDSESS-UHFFFAOYSA-N -1 1 323.417 4.463 40 0 DIABMM O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1[O-] ZINC000059474400 563771652 /nfs/dbraw/zinc/77/16/52/563771652.db2.gz WMZKNZWQRZSONZ-UHFFFAOYSA-N -1 1 319.360 4.224 40 0 DIABMM CCCCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000005198184 181215943 /nfs/dbraw/zinc/21/59/43/181215943.db2.gz MLQBGSKNFSTEBV-UHFFFAOYSA-N -1 1 310.353 4.329 40 0 DIABMM CCC(=O)Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000070462071 563812822 /nfs/dbraw/zinc/81/28/22/563812822.db2.gz DOJBHKVHEZSGES-UHFFFAOYSA-N -1 1 316.744 4.202 40 0 DIABMM CC(=O)Nc1ccc([O-])c(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000070462014 563813141 /nfs/dbraw/zinc/81/31/41/563813141.db2.gz ZQVXIHYUAREZGS-UHFFFAOYSA-N -1 1 310.353 4.282 40 0 DIABMM CC1(C)[C@@H](c2nc3ccc(Cl)cc3[nH]2)CC[C@]1(C)C(=O)[O-] ZINC000006855901 563822333 /nfs/dbraw/zinc/82/23/33/563822333.db2.gz OYOJTMJWKBYBKK-QLJPJBMISA-N -1 1 306.793 4.211 40 0 DIABMM CC(C)=CCCC(C)=CCCC(C)C(=O)C[P@](=O)([O-])O ZINC000113210645 563927467 /nfs/dbraw/zinc/92/74/67/563927467.db2.gz ACBOJOPFHNLMLX-UEJBEBQQSA-N -1 1 302.351 4.469 40 0 DIABMM CCCOc1ccc(C=C2SC(=S)[N-]C2=O)cc1OCC ZINC000056664090 184017073 /nfs/dbraw/zinc/01/70/73/184017073.db2.gz HIBXQPGUMFYCLO-UKTHLTGXSA-N -1 1 323.439 4.203 40 0 DIABMM [O-]c1ccc(-c2nc3ccccc3s2)cc1Br ZINC000146090237 563330538 /nfs/dbraw/zinc/33/05/38/563330538.db2.gz BHMCSGOGPWTLIR-UHFFFAOYSA-N -1 1 306.184 4.431 40 0 DIABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000014255587 563399754 /nfs/dbraw/zinc/39/97/54/563399754.db2.gz PAAUBIQGOKWBFD-UHFFFAOYSA-N -1 1 317.454 4.229 40 0 DIABMM COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[n-]c2c1C ZINC000071624710 563497754 /nfs/dbraw/zinc/49/77/54/563497754.db2.gz LPPRPUJPNUYIKH-UHFFFAOYSA-N -1 1 314.410 4.092 40 0 DIABMM Cc1ccc2oc(-c3cc(NC(=O)C(C)(C)C)ccc3[O-])nc2c1 ZINC000070462030 563813157 /nfs/dbraw/zinc/81/31/57/563813157.db2.gz NFOHEJIKZQRROO-UHFFFAOYSA-N -1 1 324.380 4.493 40 0 DIABMM Cc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)CC3)cc1 ZINC000226862292 563941240 /nfs/dbraw/zinc/94/12/40/563941240.db2.gz FRLXBYGGJDEHCG-UHFFFAOYSA-N -1 1 323.417 4.048 40 0 DIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)c2ccccc12 ZINC000012291309 1056395940 /nfs/dbraw/zinc/39/59/40/1056395940.db2.gz AJLMATQXDHBQQJ-UHFFFAOYSA-N -1 1 315.369 4.088 40 0 DIABMM Nc1cc(Br)c([O-])c(-c2nc3ccccc3s2)c1 ZINC000073634589 191332772 /nfs/dbraw/zinc/33/27/72/191332772.db2.gz AWJGWBRLVQHLBG-UHFFFAOYSA-N -1 1 321.199 4.014 40 0 DIABMM CC(C)CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000020158350 182193177 /nfs/dbraw/zinc/19/31/77/182193177.db2.gz QBUQPHWUVPQIHK-UHFFFAOYSA-N -1 1 310.353 4.185 40 0 DIABMM CC(C)(C)C(=O)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1 ZINC000020158427 182193826 /nfs/dbraw/zinc/19/38/26/182193826.db2.gz XKJFRCGCQRQLHG-UHFFFAOYSA-N -1 1 310.353 4.185 40 0 DIABMM CCCCC(=O)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1 ZINC000020158416 182193951 /nfs/dbraw/zinc/19/39/51/182193951.db2.gz NNZYBMIKPZVLBV-UHFFFAOYSA-N -1 1 310.353 4.329 40 0 DIABMM O=C([O-])c1cc2[nH]c(-c3ccc(Cl)cc3)nc2c(Cl)c1 ZINC000216922147 563858739 /nfs/dbraw/zinc/85/87/39/563858739.db2.gz CXXCMUHCGHMKNQ-UHFFFAOYSA-N -1 1 307.136 4.235 40 0 DIABMM