smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNC(=O)c1nc[n-]c1C(=O)Nc1ccc(N)cc1 ZINC000584617923 359181580 /nfs/dbraw/zinc/18/15/80/359181580.db2.gz SKGFEDAAOREJRA-UHFFFAOYSA-N -1 3 273.296 0.994 10 10 CCCEHM CCNC(=O)c1[n-]cnc1C(=O)Nc1ccc(N)cc1 ZINC000584617923 359181584 /nfs/dbraw/zinc/18/15/84/359181584.db2.gz SKGFEDAAOREJRA-UHFFFAOYSA-N -1 3 273.296 0.994 10 10 CCCEHM Cc1ccc(C(=O)N2CCCNC(=O)[C@H]2C)c([O-])c1O ZINC000188092699 329364274 /nfs/dbraw/zinc/36/42/74/329364274.db2.gz OPGGVZOACGWVEU-SECBINFHSA-N -1 3 278.308 0.757 10 10 CCCEHM Cc1ccc(C(=O)N2CCCN(C)C(=O)C2)c([O-])c1O ZINC000190378003 329395569 /nfs/dbraw/zinc/39/55/69/329395569.db2.gz XCBVHQROSHEVAX-UHFFFAOYSA-N -1 3 278.308 0.711 10 10 CCCEHM Cc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)c([O-])c1O ZINC000179463464 389657065 /nfs/dbraw/zinc/65/70/65/389657065.db2.gz GSDREEOJKBUREC-SNVBAGLBSA-N -1 3 280.324 0.467 10 10 CCCEHM C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000282273566 353408931 /nfs/dbraw/zinc/40/89/31/353408931.db2.gz UUPVBGSITHFGAN-APPZFPTMSA-N -1 3 264.281 0.495 10 10 CCCEHM CO[C@@H]1C[C@@H](CO)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000284792551 353557349 /nfs/dbraw/zinc/55/73/49/353557349.db2.gz JSFWWAGQZFBQDU-DTWKUNHWSA-N -1 3 267.281 0.320 10 10 CCCEHM COc1cc(Cl)cc([C@H]2NC(=O)[C@H]3COCCN32)c1[O-] ZINC000183632846 329251683 /nfs/dbraw/zinc/25/16/83/329251683.db2.gz IESZESQTIVXJMW-SKDRFNHKSA-N -1 3 298.726 0.883 10 10 CCCEHM O=C(NC[C@@H]1CCC[C@@H]1O)c1cccc(O)c1[O-] ZINC000126626357 526532144 /nfs/dbraw/zinc/53/21/44/526532144.db2.gz CNRVZWKQSXPQNZ-WPRPVWTQSA-N -1 3 251.282 0.989 10 10 CCCEHM Cn1cc([N-]S(=O)(=O)Cc2ccc(N)cc2)cn1 ZINC000035737364 172390377 /nfs/dbraw/zinc/39/03/77/172390377.db2.gz FJGFXGFDMZVNTN-UHFFFAOYSA-N -1 3 266.326 0.944 10 10 CCCEHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2C(N)=O)c1[O-] ZINC000092228567 260268572 /nfs/dbraw/zinc/26/85/72/260268572.db2.gz AHMDTYNNWACASF-LBPRGKRZSA-N -1 3 296.298 0.420 10 10 CCCEHM COC(=O)CC[C@H](C(N)=O)N1Cc2c(cccc2[O-])C1=O ZINC000118427769 349902579 /nfs/dbraw/zinc/90/25/79/349902579.db2.gz STDQXJRROFVUBT-SNVBAGLBSA-N -1 3 292.291 0.155 10 10 CCCEHM C[C@H]1C[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000076000467 524962465 /nfs/dbraw/zinc/96/24/65/524962465.db2.gz YPJTVSZJIMKWAT-OIBJUYFYSA-N -1 3 284.337 0.902 10 10 CCCEHM Cn1c2oc3cc([O-])c(O)cc3c2c(=O)n(C)c1=O ZINC000039127301 294193507 /nfs/dbraw/zinc/19/35/07/294193507.db2.gz DSSZKWDAHNWCBG-UHFFFAOYSA-N -1 3 262.221 0.395 10 10 CCCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000232289416 333335433 /nfs/dbraw/zinc/33/54/33/333335433.db2.gz PFJNKQFHUXNUFN-PSASIEDQSA-N -1 3 276.292 0.448 10 10 CCCEHM C[C@@H]1C[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000076000461 525328812 /nfs/dbraw/zinc/32/88/12/525328812.db2.gz YPJTVSZJIMKWAT-XCBNKYQSSA-N -1 3 284.337 0.902 10 10 CCCEHM O=C(NC1=NCCS1)c1cc(O)c([O-])c(O)c1 ZINC000029408472 348112370 /nfs/dbraw/zinc/11/23/70/348112370.db2.gz NTBBUWBAFBYPGL-UHFFFAOYSA-N -1 3 254.267 0.636 10 10 CCCEHM O=C([O-])[C@H](Cc1c[nH]cn1)[NH2+]Cc1ccccc1[O-] ZINC000013905686 388788229 /nfs/dbraw/zinc/78/82/29/388788229.db2.gz XOHSJPOQKQXJMI-NSHDSACASA-N -1 3 261.281 0.901 10 10 CCCEHM O=C([O-])[C@H](Cc1cnc[nH]1)[NH2+]Cc1ccccc1[O-] ZINC000013905686 388788234 /nfs/dbraw/zinc/78/82/34/388788234.db2.gz XOHSJPOQKQXJMI-NSHDSACASA-N -1 3 261.281 0.901 10 10 CCCEHM Cc1ccc(C(=O)NC[C@@H](C)N2CCOCC2)c([O-])c1O ZINC000177670968 389588745 /nfs/dbraw/zinc/58/87/45/389588745.db2.gz KIAMJZZVJFYOFS-LLVKDONJSA-N -1 3 294.351 0.857 10 10 CCCEHM Cc1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)c([O-])c1O ZINC000182433769 389707861 /nfs/dbraw/zinc/70/78/61/389707861.db2.gz KNEMYWQVDLSMHP-SECBINFHSA-N -1 3 288.307 0.743 10 10 CCCEHM O=C(N[C@@H]1CCCn2ncnc21)c1cccc(O)c1[O-] ZINC000193130187 351812614 /nfs/dbraw/zinc/81/26/14/351812614.db2.gz KERHEFZYGKOSAO-SECBINFHSA-N -1 3 274.280 0.954 10 10 CCCEHM O=C1N[C@@H](c2cc(F)ccc2[O-])N2CCOC[C@@H]12 ZINC000180269579 261850937 /nfs/dbraw/zinc/85/09/37/261850937.db2.gz QLZJFNYKTOZGEX-GXSJLCMTSA-N -1 3 252.245 0.361 10 10 CCCEHM O=C(c1cccc(O)c1[O-])N1CC(n2cccn2)C1 ZINC000370131744 267293206 /nfs/dbraw/zinc/29/32/06/267293206.db2.gz ITNJTTLREJNEHH-UHFFFAOYSA-N -1 3 259.265 0.991 10 10 CCCEHM CCOc1ccc([O-])c([C@@H]2NC(=O)[C@H]3COCCN32)c1 ZINC000093884802 349556741 /nfs/dbraw/zinc/55/67/41/349556741.db2.gz AQNVNULSBFPBEY-DGCLKSJQSA-N -1 3 278.308 0.620 10 10 CCCEHM COc1ccc([O-])c([C@@H]2NC(=O)[C@H]3COCCN32)c1 ZINC000093885538 295167145 /nfs/dbraw/zinc/16/71/45/295167145.db2.gz ZIMYZSRLGHGYJX-ZYHUDNBSSA-N -1 3 264.281 0.230 10 10 CCCEHM O=C(NC[C@@H]1CN(C2CC2)CCO1)c1cccc(O)c1[O-] ZINC000185661584 329328580 /nfs/dbraw/zinc/32/85/80/329328580.db2.gz WXWJMEMDCUUIGQ-LLVKDONJSA-N -1 3 292.335 0.691 10 10 CCCEHM CCN1CCO[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000166080914 636917432 /nfs/dbraw/zinc/91/74/32/636917432.db2.gz YUXGMQXBQHPGIO-JTQLQIEISA-N -1 3 280.324 0.548 10 10 CCCEHM Cc1ccc(C(=O)NC[C@H](C)N2CCOCC2)c([O-])c1O ZINC000177670979 389588994 /nfs/dbraw/zinc/58/89/94/389588994.db2.gz KIAMJZZVJFYOFS-NSHDSACASA-N -1 3 294.351 0.857 10 10 CCCEHM O=C(N[C@@H]1CCc2ncnn2C1)c1cccc(O)c1[O-] ZINC000193066638 351809859 /nfs/dbraw/zinc/80/98/59/351809859.db2.gz IKLWKWOVIIMQSV-MRVPVSSYSA-N -1 3 274.280 0.434 10 10 CCCEHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])N1CCOCC1 ZINC000186904387 625429035 /nfs/dbraw/zinc/42/90/35/625429035.db2.gz FCBMLZBIRCSULN-JTQLQIEISA-N -1 3 280.324 0.548 10 10 CCCEHM C[C@H](CNC(=O)c1cccc(O)c1[O-])N1CCOCC1 ZINC000186904405 625429231 /nfs/dbraw/zinc/42/92/31/625429231.db2.gz FCBMLZBIRCSULN-SNVBAGLBSA-N -1 3 280.324 0.548 10 10 CCCEHM CC(=O)c1cc(F)cc(CN2C[C@H](O)C[C@@H]2CO)c1[O-] ZINC000185180341 388791988 /nfs/dbraw/zinc/79/19/88/388791988.db2.gz GIJXVOQOBFUBAT-VXGBXAGGSA-N -1 3 283.299 0.661 10 10 CCCEHM CC[C@@H](O)CN1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000188432196 351595564 /nfs/dbraw/zinc/59/55/64/351595564.db2.gz IKGWKKLFMJLUMH-LLVKDONJSA-N -1 3 294.351 0.627 10 10 CCCEHM CC(=O)c1cc(F)cc(CN2CCO[C@H](CO)C2)c1[O-] ZINC000094351244 518287128 /nfs/dbraw/zinc/28/71/28/518287128.db2.gz WPVIJGLFYJFNGJ-LBPRGKRZSA-N -1 3 283.299 0.927 10 10 CCCEHM CC(=O)c1cc(F)cc(CN2C[C@@H](O)C[C@@H]2CO)c1[O-] ZINC000185180358 388791204 /nfs/dbraw/zinc/79/12/04/388791204.db2.gz GIJXVOQOBFUBAT-NEPJUHHUSA-N -1 3 283.299 0.661 10 10 CCCEHM C[C@@H](O)CN1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1C ZINC000187140672 262126063 /nfs/dbraw/zinc/12/60/63/262126063.db2.gz HBPOBQJYZLDJQO-WDEREUQCSA-N -1 3 294.351 0.625 10 10 CCCEHM C[C@@H](O)CN1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1C ZINC000187140654 262126000 /nfs/dbraw/zinc/12/60/00/262126000.db2.gz HBPOBQJYZLDJQO-GHMZBOCLSA-N -1 3 294.351 0.625 10 10 CCCEHM CN1CCCN(C(=O)c2cccc(O)c2[O-])CC1=O ZINC000364001851 335895343 /nfs/dbraw/zinc/89/53/43/335895343.db2.gz UKRKRQPIAQSJPU-UHFFFAOYSA-N -1 3 264.281 0.402 10 10 CCCEHM O=C(N[C@@H]1CCCNC1=O)c1cccc(O)c1[O-] ZINC000126373761 646744804 /nfs/dbraw/zinc/74/48/04/646744804.db2.gz RENDLVDWBRXCAM-MRVPVSSYSA-N -1 3 250.254 0.106 10 10 CCCEHM CCOc1ccc([O-])c([C@H]2NC(=O)[C@@H]3COCCN32)c1 ZINC000093884805 349556777 /nfs/dbraw/zinc/55/67/77/349556777.db2.gz AQNVNULSBFPBEY-AAEUAGOBSA-N -1 3 278.308 0.620 10 10 CCCEHM C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000282273575 353409306 /nfs/dbraw/zinc/40/93/06/353409306.db2.gz UUPVBGSITHFGAN-VXNVDRBHSA-N -1 3 264.281 0.495 10 10 CCCEHM COc1cc(Cl)cc([C@@H]2NC(=O)[C@@H]3COCCN23)c1[O-] ZINC000183632861 329251670 /nfs/dbraw/zinc/25/16/70/329251670.db2.gz IESZESQTIVXJMW-JOYOIKCWSA-N -1 3 298.726 0.883 10 10 CCCEHM COC(=O)[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H]1C ZINC000126487519 616685653 /nfs/dbraw/zinc/68/56/53/616685653.db2.gz FNFBDNOFRUTUPC-SCZZXKLOSA-N -1 3 279.292 0.979 10 10 CCCEHM CCN1CCO[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000166080795 636917237 /nfs/dbraw/zinc/91/72/37/636917237.db2.gz YUXGMQXBQHPGIO-SNVBAGLBSA-N -1 3 280.324 0.548 10 10 CCCEHM COC(=O)c1ccc(Cn2ccncc2=O)c([O-])c1 ZINC000584597528 359177573 /nfs/dbraw/zinc/17/75/73/359177573.db2.gz ADWUQEOYPXJUCL-UHFFFAOYSA-N -1 3 260.249 0.784 10 10 CCCEHM CN(C)C(=O)[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000187084295 351529131 /nfs/dbraw/zinc/52/91/31/351529131.db2.gz WAFJSWMSQJCJDX-SNVBAGLBSA-N -1 3 278.308 0.791 10 10 CCCEHM COc1ccc([O-])c([C@H]2NC(=O)[C@H]3COCCN32)c1 ZINC000093885539 295168972 /nfs/dbraw/zinc/16/89/72/295168972.db2.gz ZIMYZSRLGHGYJX-PWSUYJOCSA-N -1 3 264.281 0.230 10 10 CCCEHM C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000282273568 353408901 /nfs/dbraw/zinc/40/89/01/353408901.db2.gz UUPVBGSITHFGAN-CBAPKCEASA-N -1 3 264.281 0.495 10 10 CCCEHM CC(C)[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])C(N)=O ZINC000725272007 545887529 /nfs/dbraw/zinc/88/75/29/545887529.db2.gz YDTZTUVBLQRVKT-NSHDSACASA-N -1 3 267.285 0.900 10 10 CCCEHM Cc1ccc(C(=O)N[C@H]2CCc3ncnn3C2)c([O-])c1O ZINC000182433790 389708426 /nfs/dbraw/zinc/70/84/26/389708426.db2.gz KNEMYWQVDLSMHP-VIFPVBQESA-N -1 3 288.307 0.743 10 10 CCCEHM O=C(N[C@H]1CCc2ncnn2C1)c1cccc(O)c1[O-] ZINC000193066655 351809797 /nfs/dbraw/zinc/80/97/97/351809797.db2.gz IKLWKWOVIIMQSV-QMMMGPOBSA-N -1 3 274.280 0.434 10 10 CCCEHM C[C@H]1C[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000076000463 524851162 /nfs/dbraw/zinc/85/11/62/524851162.db2.gz YPJTVSZJIMKWAT-XVKPBYJWSA-N -1 3 284.337 0.902 10 10 CCCEHM CC[C@H](O)CN1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000188432170 351595429 /nfs/dbraw/zinc/59/54/29/351595429.db2.gz IKGWKKLFMJLUMH-NSHDSACASA-N -1 3 294.351 0.627 10 10 CCCEHM Cc1ccc(C(=O)NC[C@H]2CN(C)CCO2)c([O-])c1O ZINC000179463471 389657305 /nfs/dbraw/zinc/65/73/05/389657305.db2.gz GSDREEOJKBUREC-JTQLQIEISA-N -1 3 280.324 0.467 10 10 CCCEHM COCCN1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1C ZINC000193075510 351809954 /nfs/dbraw/zinc/80/99/54/351809954.db2.gz PQEPVGDJZZBKNT-LLVKDONJSA-N -1 3 294.351 0.891 10 10 CCCEHM O=C(N[C@H]1CCCn2ncnc21)c1cccc(O)c1[O-] ZINC000193130201 351812907 /nfs/dbraw/zinc/81/29/07/351812907.db2.gz KERHEFZYGKOSAO-VIFPVBQESA-N -1 3 274.280 0.954 10 10 CCCEHM COC(=O)[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H]1C ZINC000126488166 616382502 /nfs/dbraw/zinc/38/25/02/616382502.db2.gz FNFBDNOFRUTUPC-WCBMZHEXSA-N -1 3 279.292 0.979 10 10 CCCEHM CC(=O)N[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000186965466 639872404 /nfs/dbraw/zinc/87/24/04/639872404.db2.gz NNUDBJPRSOWJKX-JTQLQIEISA-N -1 3 278.308 0.839 10 10 CCCEHM Nc1ccc(CS(=O)(=O)[N-]c2ncc[nH]2)cc1 ZINC000104117614 185898271 /nfs/dbraw/zinc/89/82/71/185898271.db2.gz PCDXGCBDSFCMSZ-UHFFFAOYSA-N -1 3 252.299 0.934 10 10 CCCEHM COC(=O)[C@H](C)[N-]S(=O)(=O)Cc1ccc(N)cc1 ZINC000049351787 523884203 /nfs/dbraw/zinc/88/42/03/523884203.db2.gz CCZMSOCPSQKDGW-QMMMGPOBSA-N -1 3 272.326 0.250 10 10 CCCEHM COc1cc(Cl)cc([C@@H]2NC(=O)[C@H]3COCCN32)c1[O-] ZINC000183632829 329251615 /nfs/dbraw/zinc/25/16/15/329251615.db2.gz IESZESQTIVXJMW-BXKDBHETSA-N -1 3 298.726 0.883 10 10 CCCEHM C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000282273572 353408892 /nfs/dbraw/zinc/40/88/92/353408892.db2.gz UUPVBGSITHFGAN-IONNQARKSA-N -1 3 264.281 0.495 10 10 CCCEHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2C(N)=O)c1[O-] ZINC000092228566 260268721 /nfs/dbraw/zinc/26/87/21/260268721.db2.gz AHMDTYNNWACASF-GFCCVEGCSA-N -1 3 296.298 0.420 10 10 CCCEHM COC(=O)[C@@H](C)[N-]S(=O)(=O)Cc1ccc(N)cc1 ZINC000049351791 523550861 /nfs/dbraw/zinc/55/08/61/523550861.db2.gz CCZMSOCPSQKDGW-MRVPVSSYSA-N -1 3 272.326 0.250 10 10 CCCEHM COC(=O)CC[C@@H](C(N)=O)N1Cc2c(cccc2[O-])C1=O ZINC000118427772 349902351 /nfs/dbraw/zinc/90/23/51/349902351.db2.gz STDQXJRROFVUBT-JTQLQIEISA-N -1 3 292.291 0.155 10 10 CCCEHM COCCN1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1C ZINC000193075525 351809779 /nfs/dbraw/zinc/80/97/79/351809779.db2.gz PQEPVGDJZZBKNT-NSHDSACASA-N -1 3 294.351 0.891 10 10 CCCEHM COc1cc(Cl)cc([C@H]2NC(=O)[C@@H]3COCCN32)c1[O-] ZINC000183632876 329251574 /nfs/dbraw/zinc/25/15/74/329251574.db2.gz IESZESQTIVXJMW-CABZTGNLSA-N -1 3 298.726 0.883 10 10 CCCEHM O=C([O-])[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000716210269 977817828 /nfs/dbraw/zinc/81/78/28/977817828.db2.gz XXYJKUFGYJTQFN-ZYHUDNBSSA-N -1 3 251.282 0.972 10 10 CCCEHM O=C1N[C@H](c2cc(F)ccc2[O-])N2CCOC[C@@H]12 ZINC000180269596 261850837 /nfs/dbraw/zinc/85/08/37/261850837.db2.gz QLZJFNYKTOZGEX-ONGXEEELSA-N -1 3 252.245 0.361 10 10 CCCEHM Cc1ccc(C(=O)N2CC(NC(=O)C3CC3)C2)c([O-])c1O ZINC000189439274 351680272 /nfs/dbraw/zinc/68/02/72/351680272.db2.gz MYQRZWNJPDGTMV-UHFFFAOYSA-N -1 3 290.319 0.757 10 10 CCCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](N2CCOCC2)C1 ZINC000126404470 260351607 /nfs/dbraw/zinc/35/16/07/260351607.db2.gz JZLBEGSBKMZTBL-LLVKDONJSA-N -1 3 292.335 0.645 10 10 CCCEHM O=C(c1cccc(O)c1[O-])N1CCn2ccnc2C1 ZINC000126400549 646751385 /nfs/dbraw/zinc/75/13/85/646751385.db2.gz JVIPWOVHIRSYQY-UHFFFAOYSA-N -1 3 259.265 0.950 10 10 CCCEHM N[C@@H](CCC(=O)[O-])C(=O)NCc1ccccc1O ZINC000083391527 178396913 /nfs/dbraw/zinc/39/69/13/178396913.db2.gz RBPOKVBSYLUXEP-VIFPVBQESA-N -1 3 252.270 0.201 10 10 CCCEHM O=C1N[C@H](c2cc(F)ccc2[O-])N2CCOC[C@H]12 ZINC000180269557 389668349 /nfs/dbraw/zinc/66/83/49/389668349.db2.gz QLZJFNYKTOZGEX-KOLCDFICSA-N -1 3 252.245 0.361 10 10 CCCEHM O=C(c1cccc(O)c1[O-])N1CC[C@H](N2CCOCC2)C1 ZINC000126404276 260351619 /nfs/dbraw/zinc/35/16/19/260351619.db2.gz JZLBEGSBKMZTBL-NSHDSACASA-N -1 3 292.335 0.645 10 10 CCCEHM CC(=O)NC1CN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000191500110 351761149 /nfs/dbraw/zinc/76/11/49/351761149.db2.gz DYWFXZNUTBVHGS-UHFFFAOYSA-N -1 3 264.281 0.367 10 10 CCCEHM COc1ccc([O-])c([C@@H]2NC(=O)[C@@H]3COCCN23)c1 ZINC000093885540 295167430 /nfs/dbraw/zinc/16/74/30/295167430.db2.gz ZIMYZSRLGHGYJX-CMPLNLGQSA-N -1 3 264.281 0.230 10 10 CCCEHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](CO)C2)c1[O-] ZINC000094351245 518288065 /nfs/dbraw/zinc/28/80/65/518288065.db2.gz WPVIJGLFYJFNGJ-GFCCVEGCSA-N -1 3 283.299 0.927 10 10 CCCEHM CCOc1ccc([O-])c([C@@H]2NC(=O)[C@@H]3COCCN23)c1 ZINC000093884804 521155457 /nfs/dbraw/zinc/15/54/57/521155457.db2.gz AQNVNULSBFPBEY-WCQYABFASA-N -1 3 278.308 0.620 10 10 CCCEHM CC(C)[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])C(N)=O ZINC000725272006 545888289 /nfs/dbraw/zinc/88/82/89/545888289.db2.gz YDTZTUVBLQRVKT-LLVKDONJSA-N -1 3 267.285 0.900 10 10 CCCEHM O=C(NC[C@H]1CCC[C@H]1O)c1cccc(O)c1[O-] ZINC000126627136 526611611 /nfs/dbraw/zinc/61/16/11/526611611.db2.gz CNRVZWKQSXPQNZ-PSASIEDQSA-N -1 3 251.282 0.989 10 10 CCCEHM O=C1N[C@@H](c2cc(F)ccc2[O-])N2CCOC[C@H]12 ZINC000180269536 389668533 /nfs/dbraw/zinc/66/85/33/389668533.db2.gz QLZJFNYKTOZGEX-MWLCHTKSSA-N -1 3 252.245 0.361 10 10 CCCEHM COc1ccc([O-])c([C@H]2NC(=O)[C@@H]3COCCN32)c1 ZINC000093885541 295168981 /nfs/dbraw/zinc/16/89/81/295168981.db2.gz ZIMYZSRLGHGYJX-JQWIXIFHSA-N -1 3 264.281 0.230 10 10 CCCEHM CC(=O)NC1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000276178445 519648781 /nfs/dbraw/zinc/64/87/81/519648781.db2.gz KKDFWWSCARLDMN-UHFFFAOYSA-N -1 3 250.254 0.058 10 10 CCCEHM COC(=O)c1ccc(Cn2cnccc2=O)c([O-])c1 ZINC000584597790 359177924 /nfs/dbraw/zinc/17/79/24/359177924.db2.gz LWPXGAQBJHKCHM-UHFFFAOYSA-N -1 3 260.249 0.784 10 10 CCCEHM CCOc1ccc([O-])c([C@H]2NC(=O)[C@H]3COCCN32)c1 ZINC000093884803 521153924 /nfs/dbraw/zinc/15/39/24/521153924.db2.gz AQNVNULSBFPBEY-YPMHNXCESA-N -1 3 278.308 0.620 10 10 CCCEHM O=C(NC[C@H]1CN(C2CC2)CCO1)c1cccc(O)c1[O-] ZINC000185661599 329328627 /nfs/dbraw/zinc/32/86/27/329328627.db2.gz WXWJMEMDCUUIGQ-NSHDSACASA-N -1 3 292.335 0.691 10 10 CCCEHM