smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000026838749 202148575 /nfs/dbraw/zinc/14/85/75/202148575.db2.gz XCPJGSLXKWVDOL-MSOLQXFVSA-N 1 0 345.443 3.003 1 5 EGBFRO C[C@@H](CO)[N@H+](C)Cc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 ZINC000036423998 202326454 /nfs/dbraw/zinc/32/64/54/202326454.db2.gz OXNBUPMQAPCVRI-NSHDSACASA-N 1 0 331.799 3.412 1 5 EGBFRO COc1cc2c3c(c1O)-c1c(ccc(O)c1OC)C[C@@H]3[N+](C)(C)CC2 ZINC000006068285 717104771 /nfs/dbraw/zinc/10/47/71/717104771.db2.gz LAQLFMBEQAOWLR-ZDUSSCGKSA-O 1 0 342.415 3.012 1 5 EGBFRO COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)[N+](C)(C)CC4)OCO3 ZINC000003638456 717097082 /nfs/dbraw/zinc/09/70/82/717097082.db2.gz PQVMQKAGJGBKQC-ZDUSSCGKSA-O 1 0 340.399 3.026 1 5 EGBFRO C[NH2+]CCNc1ccc(C)c2sc3ccc(OC)cc3c(=O)c12 ZINC000101253167 204001711 /nfs/dbraw/zinc/00/17/11/204001711.db2.gz WTDRHAVDKAZANZ-UHFFFAOYSA-N 1 0 328.437 3.363 1 5 EGBFRO C[N+]1(CCOc2cc(O)c3c(c2)oc2ccccc2c3=O)CCCC1 ZINC000299831675 717181236 /nfs/dbraw/zinc/18/12/36/717181236.db2.gz QDENVWURYDJXSK-UHFFFAOYSA-O 1 0 340.399 3.271 1 5 EGBFRO C[N+](C)(C)C[C@@H]1C[S@](=O)[C@@](c2ccccc2)(C2CCCCC2)O1 ZINC000026377304 202142714 /nfs/dbraw/zinc/14/27/14/202142714.db2.gz RHAFROHARIZTPJ-SELNLUPBSA-N 1 0 336.521 3.273 1 5 EGBFRO C/C=C1/C[N+]2(C)CCc3c4cc(O)ccc4[nH]c3[C@@H]2C[C@@H]1CCO ZINC000157514688 717154655 /nfs/dbraw/zinc/15/46/55/717154655.db2.gz SJZVPGIUGNSWTN-JOVHNXATSA-O 1 0 327.448 3.266 1 5 EGBFRO Cc1ccc2cc3ccccc3c3c2c1C(=O)N(CC[NH+](C)C)C3=O ZINC000027555905 202156465 /nfs/dbraw/zinc/15/64/65/202156465.db2.gz TWWMMJNXESIJKU-UHFFFAOYSA-N 1 0 332.403 3.459 1 5 EGBFRO Cn1c2ccc(C3=[NH+]CCN3)cc2c2c3ccsc3sc2c1=O ZINC000084688181 203536018 /nfs/dbraw/zinc/53/60/18/203536018.db2.gz RYKVXVWFTWVCAG-UHFFFAOYSA-N 1 0 339.445 3.318 1 5 EGBFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc([N+](=O)[O-])c2)C1C(=O)OC ZINC000101664215 204018517 /nfs/dbraw/zinc/01/85/17/204018517.db2.gz OVZTYDSBCJWESI-WTNDLDAUSA-N 1 0 346.339 3.016 1 5 EGBFRO C[NH2+][C@@H](C)[C@@H](O)c1ccc2oc3cc(=O)c4ccccc4c-3nc2c1 ZINC000006019715 201670633 /nfs/dbraw/zinc/67/06/33/201670633.db2.gz BWHXJQNOJRJGNB-PRWKNARSSA-N 1 0 334.375 3.087 1 5 EGBFRO O=C1CN(CCCCC[NH+]2CCCCC2)c2ccc([N+](=O)[O-])cc2N1 ZINC000084670745 132820479 /nfs/dbraw/zinc/82/04/79/132820479.db2.gz PPVCTWNXTKRALS-UHFFFAOYSA-N 1 0 346.431 3.010 1 5 EGBFRO C[N+]1(C)CCC(OC(=O)[C@](O)(c2ccccc2)C2CCCCC2)CC1 ZINC000013605189 717108694 /nfs/dbraw/zinc/10/86/94/717108694.db2.gz QIHOSXXXBYCOFG-NRFANRHFSA-N 1 0 346.491 3.237 1 5 EGBFRO COc1ccc2c(c1OC)[C@@H](Cc1ccc(O)cc1)[N+](C)(C)CC2 ZINC000085997715 717137282 /nfs/dbraw/zinc/13/72/82/717137282.db2.gz QZJMBSSODVCTRD-QGZVFWFLSA-O 1 0 328.432 3.326 1 5 endogenous,in-man EGBFRO COc1cc2c(cc1O)C[C@H]1c3cc4c(cc3C[C@@H]2[N+]1(C)C)OCO4 ZINC000238756163 717162751 /nfs/dbraw/zinc/16/27/51/717162751.db2.gz QZLIBOXIXWAWSR-HOTGVXAUSA-O 1 0 340.399 3.101 1 5 EGBFRO O=[N+]([O-])c1ccc(-c2cn3cccnc3[n+]2Cc2ccccc2)cc1 ZINC000066113443 215013883 /nfs/dbraw/zinc/01/38/83/215013883.db2.gz GDOQCEJKLSNBBC-UHFFFAOYSA-N 1 0 331.355 3.245 1 5 EGBFRO Cc1cc2nc3c4cc(N)ccc4n(CC[NH+](C)C)c3nc2cc1C ZINC000040379537 213294425 /nfs/dbraw/zinc/29/44/25/213294425.db2.gz FMTUOBLRDRAHGJ-UHFFFAOYSA-N 1 0 333.439 3.498 1 5 EGBFRO C[N+](C)(C)C[C@@H]1C[S@@](=O)[C@](c2ccccc2)(C2CCCCC2)O1 ZINC000026378913 717114079 /nfs/dbraw/zinc/11/40/79/717114079.db2.gz RHAFROHARIZTPJ-PWHSHALESA-N 1 0 336.521 3.273 1 5 EGBFRO C[N+](C)(C)C[C@@H]1COC[C@@H](C(c2ccccc2)c2ccccc2)O1 ZINC000084704520 717135754 /nfs/dbraw/zinc/13/57/54/717135754.db2.gz FPHBBPOYMSEYQZ-UXHICEINSA-N 1 0 326.460 3.309 1 5 EGBFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc([N+](=O)[O-])c2)C1C(=O)OC ZINC000096179045 218641271 /nfs/dbraw/zinc/64/12/71/218641271.db2.gz OVZTYDSBCJWESI-WSTOHFRZSA-N 1 0 346.339 3.016 1 5 EGBFRO COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CC[N+]1(C)C ZINC000013378606 717107529 /nfs/dbraw/zinc/10/75/29/717107529.db2.gz AQNSTJUVKAUYLL-AWEZNQCLSA-O 1 0 342.415 3.012 1 5 in-vivo EGBFRO C/C=C1/C[N+]2(C)CCc3c4ccccc4n4c3[C@@H]2C[C@@H]1[C@H]4C(=O)OC ZINC000238789297 717163476 /nfs/dbraw/zinc/16/34/76/717163476.db2.gz AIADYJROWQCFNZ-DGVRWCOPSA-N 1 0 337.443 3.379 1 5 EGBFRO CC(C)[N@@+]1(C)[C@@H]2CC[C@H]1C[C@H](C(=O)O[C@@H](CO)c1ccccc1)C2 ZINC000253989064 717169481 /nfs/dbraw/zinc/16/94/81/717169481.db2.gz JQWQIOQHLSYJGI-ZFORQUDYSA-N 1 0 332.464 3.059 1 5 EGBFRO C[n+]1cc2cc3c(cc2c2ccc4cc5c(cc4c21)OCO5)OCO3 ZINC000001612238 560182984 /nfs/dbraw/zinc/18/29/84/560182984.db2.gz IUMDBPMWPHHBDU-UHFFFAOYSA-N 1 0 332.335 3.428 1 5 biogenic,in-vitro EGBFRO COc1ccc(C[C@H]2c3cc4c(cc3CC[N+]2(C)C)OCO4)cc1O ZINC000238757988 717162685 /nfs/dbraw/zinc/16/26/85/717162685.db2.gz UWJDPLOJHYXDPK-INIZCTEOSA-O 1 0 342.415 3.046 1 5 EGBFRO CC(C)[N@+]1(C)[C@@H]2CC[C@H]1C[C@H](C(=O)O[C@@H](CO)c1ccccc1)C2 ZINC000253989063 717169408 /nfs/dbraw/zinc/16/94/08/717169408.db2.gz JQWQIOQHLSYJGI-UNJWAJPSSA-N 1 0 332.464 3.059 1 5 EGBFRO CC[C@@H](CO)[NH2+]Cc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 ZINC000038961537 213230803 /nfs/dbraw/zinc/23/08/03/213230803.db2.gz MYJSRRIGYFJFRP-ZDUSSCGKSA-N 1 0 331.799 3.460 1 5 EGBFRO CC[C@@H]1NC(=O)OC12CC[N+](C)(CCc1c[nH]c3ccccc13)CC2 ZINC000042963710 717127769 /nfs/dbraw/zinc/12/77/69/717127769.db2.gz COZIUDWRMSAVAI-QRGRWYIGSA-O 1 0 342.463 3.208 1 5 EGBFRO Cc1nc2ccc(NCCC[NH+](C)C)c3c2n1c1ccccc1c3=O ZINC000100938168 219111872 /nfs/dbraw/zinc/11/18/72/219111872.db2.gz OLLOCQKYLOIHQX-UHFFFAOYSA-N 1 0 334.423 3.111 1 5 EGBFRO CC[C@H](O)C[NH2+]Cc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 ZINC000040915765 213399100 /nfs/dbraw/zinc/39/91/00/213399100.db2.gz GKZFMRPAZCKQKA-ZDUSSCGKSA-N 1 0 331.799 3.460 1 5 EGBFRO [NH3+]CCc1c2nc3ccccc3c3cc[nH]c(c4c1SCC(=O)N4)c32 ZINC000049820575 214034711 /nfs/dbraw/zinc/03/47/11/214034711.db2.gz LHOMOJRZMZIBEM-UHFFFAOYSA-N 1 0 348.431 3.415 1 5 EGBFRO COc1ccc2c(c1)-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 ZINC000014775334 717111134 /nfs/dbraw/zinc/11/11/34/717111134.db2.gz SXXOTMYSPQSLRW-INIZCTEOSA-O 1 0 326.416 3.306 1 5 EGBFRO COc1c2occc2c(COCCC[N+](C)(C)C)c2ccc(=O)oc21 ZINC000006068085 717103741 /nfs/dbraw/zinc/10/37/41/717103741.db2.gz HXURTUGOFQKEAM-UHFFFAOYSA-N 1 0 346.403 3.161 1 5 EGBFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccccc2[N+](=O)[O-])C1C(=O)OC ZINC000100234914 219095144 /nfs/dbraw/zinc/09/51/44/219095144.db2.gz HZAYOBLZTKMKJT-XERWBJCMSA-N 1 0 346.339 3.016 3 5 investigational EGBFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccccc2[N+](=O)[O-])C1C(=O)OC ZINC000019594578 212050535 /nfs/dbraw/zinc/05/05/35/212050535.db2.gz HZAYOBLZTKMKJT-WTNDLDAUSA-N 1 0 346.339 3.016 3 5 investigational EGBFRO COCC[NH+](CCOC)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000072138176 216024381 /nfs/dbraw/zinc/02/43/81/216024381.db2.gz SJVFELPSMJHDLH-UHFFFAOYSA-N 1 0 341.407 3.041 3 5 EGBFRO COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@@H](C2)[N+](C)(C)CC3 ZINC000014725320 717110760 /nfs/dbraw/zinc/11/07/60/717110760.db2.gz BNHSLTARADSQNI-CYBMUJFWSA-O 1 0 342.415 3.012 1 5 EGBFRO C[C@@](C(=O)OC1CC[N+](C)(C)CC1)(c1ccccc1)N1CCCCC1 ZINC000043195995 717128234 /nfs/dbraw/zinc/12/82/34/717128234.db2.gz KBMILMUSFPMBSW-NRFANRHFSA-N 1 0 345.507 3.170 1 5 EGBFRO COc1cc2c3c(c1OC)-c1cc(O)ccc1C[C@H]3[N+](C)(C)CC2 ZINC000014775321 717111393 /nfs/dbraw/zinc/11/13/93/717111393.db2.gz MWWLAORAEDHKQN-MRXNPFEDSA-O 1 0 326.416 3.306 1 5 EGBFRO CC(C)[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](C(=O)O[C@@H](CO)c1ccccc1)C2 ZINC000253989062 717169592 /nfs/dbraw/zinc/16/95/92/717169592.db2.gz JQWQIOQHLSYJGI-RVDAZCDBSA-N 1 0 332.464 3.059 1 5 EGBFRO C[N+]1(CCOc2cccc(I)c2)CCCCC1 ZINC000027868509 717115286 /nfs/dbraw/zinc/11/52/86/717115286.db2.gz NPVCCPLPJFVGIL-UHFFFAOYSA-N 1 0 346.232 3.301 1 5 EGBFRO CC[C@H]1NC(=O)OC12CC[N+](C)(CCc1c[nH]c3ccccc13)CC2 ZINC000042963707 717127830 /nfs/dbraw/zinc/12/78/30/717127830.db2.gz COZIUDWRMSAVAI-TWEIKEKHSA-O 1 0 342.463 3.208 1 5 EGBFRO O=c1[nH]n(CCCCC[NH+]2CCCCC2)c2ccc([N+](=O)[O-])cc12 ZINC000040940174 213402620 /nfs/dbraw/zinc/40/26/20/213402620.db2.gz QACNXZWITLYUMR-UHFFFAOYSA-N 1 0 332.404 3.306 1 5 EGBFRO COc1c(O)ccc2c3ccc4cc5c(cc4c3[n+](C)cc21)OCO5 ZINC000001763759 560184912 /nfs/dbraw/zinc/18/49/12/560184912.db2.gz TXASKRGBMHFMPT-UHFFFAOYSA-O 1 0 334.351 3.414 1 5 biogenic,in-vitro EGBFRO C[N+]12CCC(CC1)[C@@H](OCC(O)(c1ccccc1)c1ccccc1)C2 ZINC000299818159 717180913 /nfs/dbraw/zinc/18/09/13/717180913.db2.gz QLRPAJGNIAOUKT-STDCAVTESA-N 1 0 338.471 3.178 1 5 EGBFRO C[N+](C)(C)C[C@@H]1C[S@](=O)[C@](c2ccccc2)(C2CCCCC2)O1 ZINC000026384669 202142823 /nfs/dbraw/zinc/14/28/23/202142823.db2.gz RHAFROHARIZTPJ-DNVFCKCGSA-N 1 0 336.521 3.273 1 5 EGBFRO COc1ccc2c3c1cc1ccccc1c3C(=O)N(CC[NH+](C)C)C2=O ZINC000029389391 202185828 /nfs/dbraw/zinc/18/58/28/202185828.db2.gz MNBZOHWPIKXASF-UHFFFAOYSA-N 1 0 348.402 3.159 1 5 EGBFRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000026833936 202148531 /nfs/dbraw/zinc/14/85/31/202148531.db2.gz SXVVUDYHWDEOJZ-MSOLQXFVSA-N 1 0 345.443 3.003 1 5 EGBFRO COc1cc2c(cc1O)[C@@H]1Cc3cc4c(cc3[C@H](C2)[N+]1(C)C)OCO4 ZINC000015204433 717111442 /nfs/dbraw/zinc/11/14/42/717111442.db2.gz IQJPCLKSEYSIGP-HOTGVXAUSA-O 1 0 340.399 3.101 1 5 EGBFRO C[N+](C)(C)CCS[C@H](N=O)C(=O)c1ccc(Br)cc1 ZINC000169713417 717156927 /nfs/dbraw/zinc/15/69/27/717156927.db2.gz MVBZJRQIZQAOEB-ZDUSSCGKSA-N 1 0 346.270 3.164 1 5 EGBFRO COc1ccc(C[C@H]2c3cc(OC)c(O)cc3CC[N+]2(C)C)cc1O ZINC000085995978 290993413 /nfs/dbraw/zinc/99/34/13/290993413.db2.gz ZYDJOHZLFVIQMA-INIZCTEOSA-O 1 0 344.431 3.031 1 5 biogenic,in-vitro EGBFRO COc1cccc2c1cc1c3c2cccc3C(=O)N(CC[NH+](C)C)C1=O ZINC000026831188 202148881 /nfs/dbraw/zinc/14/88/81/202148881.db2.gz OJEGFDLAYUPGOR-UHFFFAOYSA-N 1 0 348.402 3.159 1 5 EGBFRO C[N+]1(C)CCC(OC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)CC1 ZINC000084671917 203536298 /nfs/dbraw/zinc/53/62/98/203536298.db2.gz QIHOSXXXBYCOFG-OAQYLSRUSA-N 1 0 346.491 3.237 1 5 EGBFRO OCC(CO)[NH2+]CCCc1ccc2ccc3cccc4ccc1c2c34 ZINC000026400302 202143018 /nfs/dbraw/zinc/14/30/18/202143018.db2.gz AQIXWPGJYNQELK-UHFFFAOYSA-N 1 0 333.431 3.459 1 5 EGBFRO CC[N+](C)(CC)CCS[C@@H](N=O)C(=O)c1ccc(OC)cc1 ZINC000169713386 717157044 /nfs/dbraw/zinc/15/70/44/717157044.db2.gz BVFQDEIOSLRBRZ-MRXNPFEDSA-N 1 0 325.454 3.190 1 5 EGBFRO CCOP(=O)(Cc1ccc(NCCC[NH3+])c([N+](=O)[O-])c1)OCC ZINC000169328769 206551346 /nfs/dbraw/zinc/55/13/46/206551346.db2.gz GPLSCMILJVUPNZ-UHFFFAOYSA-N 1 0 345.336 3.122 1 5 EGBFRO CCCc1nc2ccc(NCC[NH+](C)C)c3c2n1c1ccccc1c3=O ZINC000101473093 204008344 /nfs/dbraw/zinc/00/83/44/204008344.db2.gz WROCXYVGLFOOJZ-UHFFFAOYSA-N 1 0 348.450 3.365 1 5 EGBFRO CC[N+](C)(CC)CCS[C@H](N=O)C(=O)c1ccc(OC)cc1 ZINC000169713387 717157206 /nfs/dbraw/zinc/15/72/06/717157206.db2.gz BVFQDEIOSLRBRZ-INIZCTEOSA-N 1 0 325.454 3.190 1 5 EGBFRO C[NH+](C)CCc1c[nH]c2ccc(Nc3ncccc3[N+](=O)[O-])cc12 ZINC000003793340 210075780 /nfs/dbraw/zinc/07/57/80/210075780.db2.gz SZQUYNBBTURBHB-UHFFFAOYSA-N 1 0 325.372 3.319 1 5 EGBFRO Cc1c2ccccc2c2c3c1cccc3C(=O)N(CC[NH+](C)C)C2=O ZINC000003805658 210075187 /nfs/dbraw/zinc/07/51/87/210075187.db2.gz WYCUKPGWKDNQDV-UHFFFAOYSA-N 1 0 332.403 3.459 1 5 EGBFRO CCc1nc2ccc(NCCC[NH+](C)C)c3c2n1c1ccccc1c3=O ZINC000101474345 219127923 /nfs/dbraw/zinc/12/79/23/219127923.db2.gz AONROKVFUHVEJZ-UHFFFAOYSA-N 1 0 348.450 3.365 1 5 EGBFRO CC[N+](C)(CC)CCCNC(=O)c1nccc2c3ccccc3[nH]c21 ZINC000064453924 214786796 /nfs/dbraw/zinc/78/67/96/214786796.db2.gz HFWJKKOUTYNTAZ-UHFFFAOYSA-O 1 0 339.463 3.322 1 5 EGBFRO C[N+]1(C)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 ZINC000029043048 717116413 /nfs/dbraw/zinc/11/64/13/717116413.db2.gz RBSYSCZOOJPKGV-UHFFFAOYSA-N 1 0 339.503 3.095 1 5 EGBFRO C[N+](C)(C)CCCN1CCN(c2ccccc2)c2ccccc2C1=O ZINC000033854389 717122603 /nfs/dbraw/zinc/12/26/03/717122603.db2.gz BSQWEELXDMKYCE-UHFFFAOYSA-N 1 0 338.475 3.377 1 5 EGBFRO COc1c(O)ccc2c1-c1c(OC)c(O)cc3c1[C@H](C2)[N+](C)(C)CC3 ZINC000040802035 213388954 /nfs/dbraw/zinc/38/89/54/213388954.db2.gz HJNRQQRPCHMTAS-ZDUSSCGKSA-O 1 0 342.415 3.012 1 5 EGBFRO C[C@H](C[N+](C)(C)C)N1CCN(c2ccccc2)c2ccccc2C1=O ZINC000033854393 212965883 /nfs/dbraw/zinc/96/58/83/212965883.db2.gz AMVWYLNIDPLEEA-QGZVFWFLSA-N 1 0 338.475 3.375 1 5 EGBFRO CC[N+](C)(CC)CCOC(=O)[C@](O)(c1cccs1)c1ccccc1 ZINC000001842969 717090154 /nfs/dbraw/zinc/09/01/54/717090154.db2.gz RJXJTISGMQDIAQ-LJQANCHMSA-N 1 0 348.488 3.014 1 5 in-man EGBFRO COc1cc2c3c(c1O)-c1cc4c(cc1C[C@@H]3[N+](C)(C)CC2)OCO4 ZINC000014612194 717110810 /nfs/dbraw/zinc/11/08/10/717110810.db2.gz ZMJWDEODIAMIOW-AWEZNQCLSA-O 1 0 340.399 3.026 1 5 EGBFRO C[N+](C)(C)CCS[C@@H](N=O)C(=O)c1ccc(Br)cc1 ZINC000169713416 717157118 /nfs/dbraw/zinc/15/71/18/717157118.db2.gz MVBZJRQIZQAOEB-CYBMUJFWSA-N 1 0 346.270 3.164 1 5 EGBFRO C/C=C1/C[N+]2(C)[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c2cc(OC)ccc2[nH]c13 ZINC000238778374 717163012 /nfs/dbraw/zinc/16/30/12/717163012.db2.gz HXQHTFFXHTXYBL-PRQFWUQUSA-N 1 0 339.459 3.177 1 5 EGBFRO C/C=C1\C[N+]2(C)CCc3c4ccccc4n4c3[C@@H]2C[C@@H]1[C@H]4C(=O)OC ZINC000238768464 717163151 /nfs/dbraw/zinc/16/31/51/717163151.db2.gz AIADYJROWQCFNZ-CSYRKJRISA-N 1 0 337.443 3.379 1 5 EGBFRO Oc1ccc2c(c1)c1cc3c(cc1c1c2[C@H](O)[C@@H]2CCC[N@@H+]2C1)OCO3 ZINC000066259296 215028682 /nfs/dbraw/zinc/02/86/82/215028682.db2.gz IHIAREDQYFZXQI-LAUBAEHRSA-N 1 0 349.386 3.439 1 5 EGBFRO CC[N+](C)(CC)CCOCC(O)(c1ccccc1)c1ccccc1 ZINC000299818131 717181071 /nfs/dbraw/zinc/18/10/71/717181071.db2.gz JAOYSWJZDBXCND-UHFFFAOYSA-N 1 0 328.476 3.426 1 5 EGBFRO CC(C)[N+]1(C)[C@@H]2CC[C@H]1CC(C(=O)O[C@@H](CO)c1ccccc1)C2 ZINC000013783295 717109279 /nfs/dbraw/zinc/10/92/79/717109279.db2.gz JQWQIOQHLSYJGI-VZLAHBCRSA-N 1 0 332.464 3.059 1 5 EGBFRO COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@@H](C2)C[N+](C)(C)C3 ZINC000238732662 717162334 /nfs/dbraw/zinc/16/23/34/717162334.db2.gz WYMLNUCQOYSZPF-LBPRGKRZSA-O 1 0 342.415 3.012 1 5 EGBFRO CC(C)[N@+]1(C)[C@@H]2CC[C@H]1C[C@@H](C(=O)O[C@@H](CO)c1ccccc1)C2 ZINC000253989061 717169528 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