smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)[C@H](N)CCN2C 20446636 537010702 /nfs/dbraw/zinc/01/07/02/537010702.db2.gz CHQHVSZCKLLKBI-SNVBAGLBSA-N 0 3 192.262 1.535 10 10 ADCEHN [NH3+]C/C=C\c1ccc(F)c(O)c1[O-] 687680176 571922987 /nfs/dbraw/zinc/92/29/87/571922987.db2.gz YQBJCEBNSSDXOC-UPHRSURJSA-N 0 3 183.182 1.209 10 10 ADCEHN C[C@@H]1Cc2cc(O)c(O)cc2[C@@H](C)N1 71485101 572108181 /nfs/dbraw/zinc/10/81/81/572108181.db2.gz KOGYNXRFBISGEZ-RNFRBKRXSA-N 0 3 193.246 1.693 10 10 ADCEHN CCc1ccc([O-])c([C@@H]([NH3+])COC)c1 238283431 572518734 /nfs/dbraw/zinc/51/87/34/572518734.db2.gz QTHFTXNGXBVHOQ-JTQLQIEISA-N 0 3 195.262 1.601 10 10 ADCEHN CC(C)c1ccc([O-])c([C@H]([NH3+])CO)c1 72197755 572611914 /nfs/dbraw/zinc/61/19/14/572611914.db2.gz PSZVEXLUHGHQAA-SNVBAGLBSA-N 0 3 195.262 1.508 10 10 ADCEHN CC(C)c1ccc([O-])c([C@H]([NH3+])CN)c1 72200431 572639401 /nfs/dbraw/zinc/63/94/01/572639401.db2.gz TYSNNNWIKKOWEP-SNVBAGLBSA-N 0 3 194.278 1.474 10 10 ADCEHN [NH3+][C@H](CNC1CC1)c1ccccc1[O-] 258223307 573017812 /nfs/dbraw/zinc/01/78/12/573017812.db2.gz QYJNRSCYLSSKGV-SNVBAGLBSA-N 0 3 192.262 1.144 10 10 ADCEHN Cc1cc([O-])c([C@@H](C)[NH3+])c(O)c1 104575597 573023181 /nfs/dbraw/zinc/02/31/81/573023181.db2.gz XOSVDOFCWUOWTL-ZCFIWIBFSA-N 0 3 167.208 1.426 10 10 ADCEHN CC[C@H]([NH3+])c1c([O-])cc(C)cc1O 104575604 573026234 /nfs/dbraw/zinc/02/62/34/573026234.db2.gz QJYPXOIDFNLGNZ-ZETCQYMHSA-N 0 3 181.235 1.816 10 10 ADCEHN CCOc1ccc2c(c1[O-])[C@@H]([NH3+])CO2 238287800 573117821 /nfs/dbraw/zinc/11/78/21/573117821.db2.gz JLXZLYTZZAQMGJ-LURJTMIESA-N 0 3 195.218 1.183 10 10 ADCEHN CN(C)[C@@H]1C[C@@H]1c1ccc(O)c(O)c1 238290892 573148209 /nfs/dbraw/zinc/14/82/09/573148209.db2.gz DBSWGRFYUPDTSK-RKDXNWHRSA-N 0 3 193.246 1.515 10 10 ADCEHN CN(C)[C@H]1C[C@H]1c1ccc(O)c(O)c1 238300562 573186929 /nfs/dbraw/zinc/18/69/29/573186929.db2.gz DBSWGRFYUPDTSK-IUCAKERBSA-N 0 3 193.246 1.515 10 10 ADCEHN [O-]c1ccccc1[C@@H]1CCC[C@@H](O)[NH2+]1 258484425 573202308 /nfs/dbraw/zinc/20/23/08/573202308.db2.gz FITIOHLTHDWZSF-GXSJLCMTSA-N 0 3 193.246 1.525 10 10 ADCEHN [O-]c1ccccc1[C@@H]1CCC[C@H](O)[NH2+]1 258484434 573205214 /nfs/dbraw/zinc/20/52/14/573205214.db2.gz FITIOHLTHDWZSF-ONGXEEELSA-N 0 3 193.246 1.525 10 10 ADCEHN CC[C@H]([NH3+])c1c([O-])cccc1CO 238309440 573223960 /nfs/dbraw/zinc/22/39/60/573223960.db2.gz XERCHKZGKJVBQC-QMMMGPOBSA-N 0 3 181.235 1.294 10 10 ADCEHN CC1(C)C[NH2+][C@H](c2ccccc2[O-])O1 258596000 573229799 /nfs/dbraw/zinc/22/97/99/573229799.db2.gz QMGRGOHYHDATGN-JTQLQIEISA-N 0 3 193.246 1.789 10 10 ADCEHN C[C@@H]1C[NH2+][C@H](c2ccccc2[O-])OC1 258487414 573235977 /nfs/dbraw/zinc/23/59/77/573235977.db2.gz LMRGNJROSCTDMR-KCJUWKMLSA-N 0 3 193.246 1.647 10 10 ADCEHN CC[C@H]([NH3+])c1cc(OC)cc(O)c1[O-] 238314229 573238773 /nfs/dbraw/zinc/23/87/73/573238773.db2.gz JDJYMFCBMMSGAA-QMMMGPOBSA-N 0 3 197.234 1.516 10 10 ADCEHN CN(C)CCc1cccc(O)c1O 238315506 573243015 /nfs/dbraw/zinc/24/30/15/573243015.db2.gz JKQLFDRJONJYLG-UHFFFAOYSA-N 0 3 181.235 1.202 10 10 ADCEHN CC[C@H]([NH3+])c1ccc(OC)c(O)c1[O-] 238317199 573246000 /nfs/dbraw/zinc/24/60/00/573246000.db2.gz SUWILECOLMPUAF-ZETCQYMHSA-N 0 3 197.234 1.516 10 10 ADCEHN CC[C@H]([NH3+])c1ccc(O)c(C)c1[O-] 238316852 573249613 /nfs/dbraw/zinc/24/96/13/573249613.db2.gz LVDYTSIFFOIHDT-QMMMGPOBSA-N 0 3 181.235 1.816 10 10 ADCEHN [NH3+]C1(c2c([O-])cccc2O)CCCC1 257981486 573257096 /nfs/dbraw/zinc/25/70/96/573257096.db2.gz DSRGEJQWIVRBKQ-UHFFFAOYSA-N 0 3 193.246 1.826 10 10 ADCEHN CN(C)c1ccc2c(c1)COC[C@H]2N 238331034 573279304 /nfs/dbraw/zinc/27/93/04/573279304.db2.gz XDBIAHWPAJDRJV-LLVKDONJSA-N 0 3 192.262 1.283 10 10 ADCEHN C[NH2+][C@H](C)c1cc(N)cc(F)c1[O-] 238332460 573284735 /nfs/dbraw/zinc/28/47/35/573284735.db2.gz PUDQQLQLCXSPDB-RXMQYKEDSA-N 0 3 184.214 1.394 10 10 ADCEHN C[NH2+][C@H](C)c1cc(F)cc(OC)c1[O-] 238331567 573285115 /nfs/dbraw/zinc/28/51/15/573285115.db2.gz AMYMNAUXQCDKRA-ZCFIWIBFSA-N 0 3 199.225 1.820 10 10 ADCEHN Cc1cc(CC[NH3+])c(F)c([O-])c1O 257994108 573290538 /nfs/dbraw/zinc/29/05/38/573290538.db2.gz FWSURUSZBYSXPF-UHFFFAOYSA-N 0 3 185.198 1.047 10 10 ADCEHN C[C@@H]1CO[C@H](c2ccccc2[O-])[NH2+]1 258623353 573297809 /nfs/dbraw/zinc/29/78/09/573297809.db2.gz RIOYJZYLNOFTLW-GMSGAONNSA-N 0 3 179.219 1.399 10 10 ADCEHN N#[N+]C=C([O-])c1ccc(F)c(Cl)c1 106876358 573323756 /nfs/dbraw/zinc/32/37/56/573323756.db2.gz ZTRFPCJPDHZSTC-UHFFFAOYSA-N 0 3 198.584 1.962 10 10 ADCEHN COc1ccc([C@H](C)[NH3+])c([O-])c1O 238343252 573328134 /nfs/dbraw/zinc/32/81/34/573328134.db2.gz LDPLXWVEUNLBKP-YFKPBYRVSA-N 0 3 183.207 1.126 10 10 ADCEHN CCCOc1ccc(C[NH2+]C)c([O-])c1 50273160 573341987 /nfs/dbraw/zinc/34/19/87/573341987.db2.gz REQOJNXBDZEIAY-UHFFFAOYSA-N 0 3 195.262 1.900 10 10 ADCEHN COC[C@H]([NH3+])c1c(C)cc(C)cc1[O-] 238356174 573344839 /nfs/dbraw/zinc/34/48/39/573344839.db2.gz IICMHEKMAOZKFD-VIFPVBQESA-N 0 3 195.262 1.655 10 10 ADCEHN COc1ccc(C)c([C@@H](N)CF)c1O 238363290 573346990 /nfs/dbraw/zinc/34/69/90/573346990.db2.gz UTUSRWYGKUKWFE-ZETCQYMHSA-N 0 3 199.225 1.679 10 10 ADCEHN [NH3+]C1(c2ccccc2[O-])CC=CC1 258328112 573374852 /nfs/dbraw/zinc/37/48/52/573374852.db2.gz URVCGNDQAJGPAI-UHFFFAOYSA-N 0 3 175.231 1.896 10 10 ADCEHN COC[C@@H]([NH3+])c1c(C)cccc1[O-] 238375128 573385506 /nfs/dbraw/zinc/38/55/06/573385506.db2.gz FKFDZBMIYZTXCA-MRVPVSSYSA-N 0 3 181.235 1.347 10 10 ADCEHN C[C@]([NH3+])(c1ccccc1[O-])C1CC1 107165805 573395713 /nfs/dbraw/zinc/39/57/13/573395713.db2.gz LONPSBKRXIZVOT-LLVKDONJSA-N 0 3 177.247 1.976 10 10 ADCEHN CC[C@H]([NH3+])c1cc(N)cc(F)c1[O-] 211735144 573402947 /nfs/dbraw/zinc/40/29/47/573402947.db2.gz OPBMCQHCXNEZEU-QMMMGPOBSA-N 0 3 184.214 1.523 10 10 ADCEHN COc1cc(O)c(CN(C)C)cc1O 238391305 573423482 /nfs/dbraw/zinc/42/34/82/573423482.db2.gz NYBJPNUQJAJFJZ-UHFFFAOYSA-N 0 3 197.234 1.168 10 10 ADCEHN C[NH+](C)[C@H]1CCNc2cccc([O-])c21 257813305 573436865 /nfs/dbraw/zinc/43/68/65/573436865.db2.gz CBPWGJSNMPMREL-VIFPVBQESA-N 0 3 192.262 1.811 10 10 ADCEHN [O-]c1cc([C@@H]2CCC[NH2+]2)cc(F)c1O 258021708 573436919 /nfs/dbraw/zinc/43/69/19/573436919.db2.gz IHPITRHSPJYSOM-QMMMGPOBSA-N 0 3 197.209 1.661 10 10 ADCEHN [O-]c1c(O)cc([C@@H]2CCC[NH2+]2)cc1F 258021708 573436925 /nfs/dbraw/zinc/43/69/25/573436925.db2.gz IHPITRHSPJYSOM-QMMMGPOBSA-N 0 3 197.209 1.661 10 10 ADCEHN C[C@]1(c2ccccc2[O-])CC[NH2+]1 258345017 573440656 /nfs/dbraw/zinc/44/06/56/573440656.db2.gz VQNYRSDWJFEOJW-SNVBAGLBSA-N 0 3 163.220 1.601 10 10 ADCEHN C[C@@H]1Cc2cc(O)c(O)cc2CN1 33641860 572028364 /nfs/dbraw/zinc/02/83/64/572028364.db2.gz GAYCCAXXEKOMIU-ZCFIWIBFSA-N 0 3 179.219 1.132 10 10 ADCEHN C[C@H]([NH3+])c1cc(O)c(Cl)cc1[O-] 238422875 573511955 /nfs/dbraw/zinc/51/19/55/573511955.db2.gz NOFUJHOSIHSLLN-BYPYZUCNSA-N 0 3 187.626 1.771 10 10 ADCEHN C[C@H]([NH3+])c1cc([O-])c(Cl)cc1O 238422875 573511960 /nfs/dbraw/zinc/51/19/60/573511960.db2.gz NOFUJHOSIHSLLN-BYPYZUCNSA-N 0 3 187.626 1.771 10 10 ADCEHN C[C@H]([NH3+])c1cc(N)c(Cl)cc1[O-] 238422390 573512135 /nfs/dbraw/zinc/51/21/35/573512135.db2.gz RNZDJVDZMLHDGD-BYPYZUCNSA-N 0 3 186.642 1.648 10 10 ADCEHN COC[C@@H]1Cc2cccc([O-])c2C[NH2+]1 257823771 573512190 /nfs/dbraw/zinc/51/21/90/573512190.db2.gz GRGXOWDYZPJIGO-VIFPVBQESA-N 0 3 193.246 1.053 10 10 ADCEHN COc1ccc(C)c([O-])c1[C@H](C)[NH3+] 258058286 573531562 /nfs/dbraw/zinc/53/15/62/573531562.db2.gz SHWUQRIJUMTZOQ-ZETCQYMHSA-N 0 3 181.235 1.729 10 10 ADCEHN C[C@@H]1CCN[C@@H](c2ccccc2O)N1 238433944 573536531 /nfs/dbraw/zinc/53/65/31/573536531.db2.gz QYUKOTSAMODLOL-LDYMZIIASA-N 0 3 192.262 1.362 10 10 ADCEHN COc1c(O)ccc([O-])c1[C@H](C)[NH3+] 238435409 573541615 /nfs/dbraw/zinc/54/16/15/573541615.db2.gz QURLPYJHOFSZFG-YFKPBYRVSA-N 0 3 183.207 1.126 10 10 ADCEHN C[C@H](c1ccccc1[O-])N1CC([NH3+])C1 83634688 573572970 /nfs/dbraw/zinc/57/29/70/573572970.db2.gz BHWZUHWILSJLJN-MRVPVSSYSA-N 0 3 192.262 1.096 10 10 ADCEHN CN(C)C1CN(c2ccc(N)cc2)C1 113279419 572998784 /nfs/dbraw/zinc/99/87/84/572998784.db2.gz GPMQKWXGPNVWPB-UHFFFAOYSA-N 0 3 191.278 1.019 10 10 ADCEHN Cc1c(F)ccc([O-])c1[C@@H]1CC[NH2+]1 104575454 573023597 /nfs/dbraw/zinc/02/35/97/573023597.db2.gz HUTJPDIIXXTXHJ-QMMMGPOBSA-N 0 3 181.210 1.874 10 10 ADCEHN Cc1c(F)ccc([O-])c1[C@@H](C)[NH3+] 104574938 573023679 /nfs/dbraw/zinc/02/36/79/573023679.db2.gz DATFJBJCOMKBPY-ZCFIWIBFSA-N 0 3 169.199 1.859 10 10 ADCEHN Cc1c(F)ccc([O-])c1[C@H]1CC[NH2+]1 104575457 573027637 /nfs/dbraw/zinc/02/76/37/573027637.db2.gz HUTJPDIIXXTXHJ-MRVPVSSYSA-N 0 3 181.210 1.874 10 10 ADCEHN CC[N@H+](C)Cc1ccccc1[O-] 113750544 573029984 /nfs/dbraw/zinc/02/99/84/573029984.db2.gz DAKKYWAPBVMALG-UHFFFAOYSA-N 0 3 165.236 1.844 10 10 ADCEHN CC[N@@H+](C)Cc1ccccc1[O-] 113750544 573029986 /nfs/dbraw/zinc/02/99/86/573029986.db2.gz DAKKYWAPBVMALG-UHFFFAOYSA-N 0 3 165.236 1.844 10 10 ADCEHN CC[NH2+]Cc1ccc(N)cc1[O-] 238264046 573063291 /nfs/dbraw/zinc/06/32/91/573063291.db2.gz XVPOTWLDLYJYBE-UHFFFAOYSA-N 0 3 166.224 1.084 10 10 ADCEHN CCc1ccc([O-])c2c1OCC[C@H]2[NH3+] 238284099 573134402 /nfs/dbraw/zinc/13/44/02/573134402.db2.gz SAQCGINNGWFWEI-MRVPVSSYSA-N 0 3 193.246 1.737 10 10 ADCEHN COC[C@H]([NH3+])c1ccccc1[O-] 104660260 573137920 /nfs/dbraw/zinc/13/79/20/573137920.db2.gz GSVFNSYJFVVVBG-QMMMGPOBSA-N 0 3 167.208 1.038 10 10 ADCEHN COC[C@@H]([NH3+])c1ccc(C)cc1[O-] 104667050 573150909 /nfs/dbraw/zinc/15/09/09/573150909.db2.gz XTCKIKDJEJFGJS-SECBINFHSA-N 0 3 181.235 1.347 10 10 ADCEHN COC[C@H]([NH3+])c1ccc(C)cc1[O-] 104669983 573161448 /nfs/dbraw/zinc/16/14/48/573161448.db2.gz XTCKIKDJEJFGJS-VIFPVBQESA-N 0 3 181.235 1.347 10 10 ADCEHN [O-]c1c(O)cc([C@@H]2CCC[NH2+]2)cc1O 104682328 573183149 /nfs/dbraw/zinc/18/31/49/573183149.db2.gz MIZQNKCQSZOMSB-ZETCQYMHSA-N 0 3 195.218 1.228 10 10 ADCEHN [O-]c1c(O)ccc([C@H]2CC[NH2+]C2)c1F 257972854 573212506 /nfs/dbraw/zinc/21/25/06/573212506.db2.gz DATGOBNDYKIJKK-LURJTMIESA-N 0 3 197.209 1.314 10 10 ADCEHN [NH3+]Cc1ccc2c(c1[O-])CCCC2 257971445 573212024 /nfs/dbraw/zinc/21/20/24/573212024.db2.gz IJPWZHKKESIVKT-UHFFFAOYSA-N 0 3 177.247 1.730 10 10 ADCEHN CC[C@H]([NH3+])c1cc(O)c(OC)cc1[O-] 238313794 573212193 /nfs/dbraw/zinc/21/21/93/573212193.db2.gz IFUGFZZOEFLTNL-ZETCQYMHSA-N 0 3 197.234 1.516 10 10 ADCEHN CC[C@H]([NH3+])c1cc(O)c(C)cc1[O-] 238313653 573212322 /nfs/dbraw/zinc/21/23/22/573212322.db2.gz PEKCZUXGSOOJCS-QMMMGPOBSA-N 0 3 181.235 1.816 10 10 ADCEHN [O-]c1c(O)ccc([C@@H]2CC[NH2+]C2)c1F 257972856 573217319 /nfs/dbraw/zinc/21/73/19/573217319.db2.gz DATGOBNDYKIJKK-ZCFIWIBFSA-N 0 3 197.209 1.314 10 10 ADCEHN CC[C@H]([NH3+])c1c(O)ccc(OC)c1[O-] 238309415 573223075 /nfs/dbraw/zinc/22/30/75/573223075.db2.gz ZWQLYSGKYZTHAH-LURJTMIESA-N 0 3 197.234 1.516 10 10 ADCEHN CC[C@H]([NH3+])c1c([O-])ccc(OC)c1O 238309415 573223079 /nfs/dbraw/zinc/22/30/79/573223079.db2.gz ZWQLYSGKYZTHAH-LURJTMIESA-N 0 3 197.234 1.516 10 10 ADCEHN C[NH2+][C@@H](C)c1c([O-])cc(C)cc1O 238322337 573229149 /nfs/dbraw/zinc/22/91/49/573229149.db2.gz KVDSPEWCGXUXEA-ZETCQYMHSA-N 0 3 181.235 1.687 10 10 ADCEHN C[C@H]1C[NH2+][C@@H](c2ccccc2[O-])O1 258614174 573259070 /nfs/dbraw/zinc/25/90/70/573259070.db2.gz QYWSTPXMUJODKZ-OIBJUYFYSA-N 0 3 179.219 1.399 10 10 ADCEHN C[C@H]1C[NH2+][C@H](c2ccccc2[O-])O1 258614178 573262489 /nfs/dbraw/zinc/26/24/89/573262489.db2.gz QYWSTPXMUJODKZ-XVKPBYJWSA-N 0 3 179.219 1.399 10 10 ADCEHN CC[N@H+](C)Cc1cccc(OC)c1[O-] 132545378 573312970 /nfs/dbraw/zinc/31/29/70/573312970.db2.gz JPMXIJAQAUGUBN-UHFFFAOYSA-N 0 3 195.262 1.853 10 10 ADCEHN CC[N@@H+](C)Cc1cccc(OC)c1[O-] 132545378 573312977 /nfs/dbraw/zinc/31/29/77/573312977.db2.gz JPMXIJAQAUGUBN-UHFFFAOYSA-N 0 3 195.262 1.853 10 10 ADCEHN CC[C@H]1C[NH2+]Cc2c([O-])cccc21 258323004 573368807 /nfs/dbraw/zinc/36/88/07/573368807.db2.gz UMCWZTASPCKTNW-QMMMGPOBSA-N 0 3 177.247 1.989 10 10 ADCEHN CCOc1ccc(C([O-])=C[N+]#N)cc1 78950735 573369892 /nfs/dbraw/zinc/36/98/92/573369892.db2.gz KJJOSTFTENNHDA-UHFFFAOYSA-N 0 3 190.202 1.569 10 10 ADCEHN Cc1cc(C(C)(C)[NH3+])c([O-])c(O)c1C 258008546 573369427 /nfs/dbraw/zinc/36/94/27/573369427.db2.gz HCWWNSSXLLAKQF-UHFFFAOYSA-N 0 3 195.262 1.908 10 10 ADCEHN CC(C)[C@H]([NH3+])c1c(F)ccc(N)c1[O-] 211710278 573382120 /nfs/dbraw/zinc/38/21/20/573382120.db2.gz VPTXRNNFVMSOIQ-VIFPVBQESA-N 0 3 198.241 1.769 10 10 ADCEHN COc1c(C)ccc(C(C)(C)[NH3+])c1[O-] 258011382 573382428 /nfs/dbraw/zinc/38/24/28/573382428.db2.gz HJRUTRYWIBCRDW-UHFFFAOYSA-N 0 3 195.262 1.903 10 10 ADCEHN CN1CCC[C@H]([NH3+])c2c([O-])cccc21 257804646 573390626 /nfs/dbraw/zinc/39/06/26/573390626.db2.gz SZONECAEGPYZRD-QMMMGPOBSA-N 0 3 192.262 1.622 10 10 ADCEHN COCNCc1ccc2c(c1)CCO2 259094112 573392393 /nfs/dbraw/zinc/39/23/93/573392393.db2.gz NSODHTFKSRASPA-UHFFFAOYSA-N 0 3 193.246 1.315 10 10 ADCEHN [NH3+][C@H]1CCSc2cccc([O-])c21 107169771 573397790 /nfs/dbraw/zinc/39/77/90/573397790.db2.gz AWJPWXFYVWPJID-LURJTMIESA-N 0 3 181.260 1.888 10 10 ADCEHN COc1cccc([O-])c1C1([NH3+])CCC1 238381576 573410596 /nfs/dbraw/zinc/41/05/96/573410596.db2.gz SZWOZKNPOIYQDV-UHFFFAOYSA-N 0 3 193.246 1.739 10 10 ADCEHN C[C@H](C[NH3+])c1cc([O-])c(O)c(F)c1 258030194 573430158 /nfs/dbraw/zinc/43/01/58/573430158.db2.gz IWKGRUKJQDUHRE-RXMQYKEDSA-N 0 3 185.198 1.299 10 10 ADCEHN CC(C)([NH3+])c1cc2c(cc1[O-])OCO2 258027783 573430338 /nfs/dbraw/zinc/43/03/38/573430338.db2.gz IUPSBGMOBKJURP-UHFFFAOYSA-N 0 3 195.218 1.315 10 10 ADCEHN [NH3+][C@H]1CCCc2c(F)ccc([O-])c21 211795265 573460114 /nfs/dbraw/zinc/46/01/14/573460114.db2.gz AVDSKSURNPVGTO-QMMMGPOBSA-N 0 3 181.210 1.867 10 10 ADCEHN C[NH2+][C@@H](C)c1ccc(O)c(O)c1[O-] 211790341 573461349 /nfs/dbraw/zinc/46/13/49/573461349.db2.gz OGCYYSKTOMEMSP-YFKPBYRVSA-N 0 3 183.207 1.084 10 10 ADCEHN Cc1cc([O-])c([C@H]([NH3+])[C@@H](C)O)cc1C 238414948 573483647 /nfs/dbraw/zinc/48/36/47/573483647.db2.gz CBEMYPFWWLODHL-LDYMZIIASA-N 0 3 195.262 1.390 10 10 ADCEHN CSc1ccc(C[NH3+])c([O-])c1 238414600 573484021 /nfs/dbraw/zinc/48/40/21/573484021.db2.gz ONIPRAIQVGNLKN-UHFFFAOYSA-N 0 3 169.249 1.573 10 10 ADCEHN C=Cc1ccc([O-])c([C@H]([NH3+])[C@@H](C)O)c1 238415854 573484163 /nfs/dbraw/zinc/48/41/63/573484163.db2.gz CHTZHNYVQJACKT-RDDDGLTNSA-N 0 3 193.246 1.416 10 10 ADCEHN COC[C@@H]1C[NH2+][C@@H]1c1ccccc1[O-] 257827107 573521817 /nfs/dbraw/zinc/52/18/17/573521817.db2.gz HUMCDXQFDQCQFM-KWQFWETISA-N 0 3 193.246 1.299 10 10 ADCEHN C[C@@H]([NH3+])c1cc([O-])cs1 238425257 573526878 /nfs/dbraw/zinc/52/68/78/573526878.db2.gz PTEDCGOFYFMPLE-SCSAIBSYSA-N 0 3 143.211 1.473 10 10 ADCEHN C[C@@H]([NH3+])c1cc(O)c(Cl)cc1[O-] 238424924 573526969 /nfs/dbraw/zinc/52/69/69/573526969.db2.gz NOFUJHOSIHSLLN-SCSAIBSYSA-N 0 3 187.626 1.771 10 10 ADCEHN C[C@@H]([NH3+])c1cc([O-])c(Cl)cc1O 238424924 573526974 /nfs/dbraw/zinc/52/69/74/573526974.db2.gz NOFUJHOSIHSLLN-SCSAIBSYSA-N 0 3 187.626 1.771 10 10 ADCEHN C[C@@H]1CCN[C@H](c2ccccc2O)N1 238434340 573542298 /nfs/dbraw/zinc/54/22/98/573542298.db2.gz QYUKOTSAMODLOL-KCJUWKMLSA-N 0 3 192.262 1.362 10 10 ADCEHN COc1c(O)cc([O-])c2c1CC[C@H]2[NH3+] 238434832 573544270 /nfs/dbraw/zinc/54/42/70/573544270.db2.gz XPBORBFQTXLPHF-ZCFIWIBFSA-N 0 3 195.218 1.052 10 10 ADCEHN C[C@H]1CCN[C@H](c2ccccc2O)N1 238438985 573555800 /nfs/dbraw/zinc/55/58/00/573555800.db2.gz QYUKOTSAMODLOL-KWQFWETISA-N 0 3 192.262 1.362 10 10 ADCEHN Cc1ccc(C)c([C@](C)([NH3+])CO)c1[O-] 238456304 573593426 /nfs/dbraw/zinc/59/34/26/573593426.db2.gz VWTZMHQXPGUZRK-LLVKDONJSA-N 0 3 195.262 1.175 10 10 ADCEHN Cc1cccc([O-])c1[C@@H]([NH3+])[C@@H](C)O 238449329 573613418 /nfs/dbraw/zinc/61/34/18/573613418.db2.gz JKHQDFUGAYXYRT-XCBNKYQSSA-N 0 3 181.235 1.081 10 10 ADCEHN N#[N+]C=C([O-])c1ccccc1[N+](=O)[O-] 142895863 573622015 /nfs/dbraw/zinc/62/20/15/573622015.db2.gz VOSSLASNONSHOH-UHFFFAOYSA-N 0 3 191.146 1.078 10 10 ADCEHN Cc1ccc([O-])c2c1OC[C@@H]2[NH3+] 238459130 573631850 /nfs/dbraw/zinc/63/18/50/573631850.db2.gz AMNZVQATCMOPFF-LURJTMIESA-N 0 3 165.192 1.093 10 10 ADCEHN CC(C)([NH3+])c1c([O-])ccc2c1COC2 258072758 573634525 /nfs/dbraw/zinc/63/45/25/573634525.db2.gz MJPGORWNIPZRAJ-UHFFFAOYSA-N 0 3 193.246 1.616 10 10 ADCEHN COc1cc([O-])c(C[NH3+])cc1C 211974786 573635966 /nfs/dbraw/zinc/63/59/66/573635966.db2.gz YJQDCVCLAMPLTF-UHFFFAOYSA-N 0 3 167.208 1.168 10 10 ADCEHN C[C@]1(c2ccccc2[O-])[NH2+]CCS1 75598310 573637949 /nfs/dbraw/zinc/63/79/49/573637949.db2.gz UJMADGHHOYHVSC-JTQLQIEISA-N 0 3 195.287 1.901 10 10 ADCEHN C[C@@H]1c2c(O)ccc(O)c2CCN1C 238462009 573640107 /nfs/dbraw/zinc/64/01/07/573640107.db2.gz YEIZOXFDQHGAMZ-SSDOTTSWSA-N 0 3 193.246 1.647 10 10 ADCEHN CCc1cc(CNCN)ccc1OC 258827471 573640154 /nfs/dbraw/zinc/64/01/54/573640154.db2.gz GVWBJJBMKSNTDI-UHFFFAOYSA-N 0 3 194.278 1.263 10 10 ADCEHN C=Cc1ccc([O-])c([C@H]([NH3+])[C@H](C)O)c1 238461719 573640434 /nfs/dbraw/zinc/64/04/34/573640434.db2.gz CHTZHNYVQJACKT-WRWORJQWSA-N 0 3 193.246 1.416 10 10 ADCEHN NC[C@H]([NH2+]C1CC1)c1ccccc1[O-] 257839265 573643336 /nfs/dbraw/zinc/64/33/36/573643336.db2.gz LOLMTGQACVKORM-JTQLQIEISA-N 0 3 192.262 1.144 10 10 ADCEHN COc1cc(Cl)cc(C[NH3+])c1[O-] 107736385 573647655 /nfs/dbraw/zinc/64/76/55/573647655.db2.gz HCPOSOVRINQJSB-UHFFFAOYSA-N 0 3 187.626 1.513 10 10 ADCEHN Cc1cc([O-])c(C(C)(C)[NH3+])c(O)c1 238465917 573649259 /nfs/dbraw/zinc/64/92/59/573649259.db2.gz UHYKOTMRIYHFNY-UHFFFAOYSA-N 0 3 181.235 1.600 10 10 ADCEHN C[NH+](C)Cc1cc2c(cc1[O-])OCO2 96942622 573663378 /nfs/dbraw/zinc/66/33/78/573663378.db2.gz XMJMZKYQWBRCCX-UHFFFAOYSA-N 0 3 195.218 1.183 10 10 ADCEHN CN(C)Cc1cc2c(cc1O)OCO2 96942622 573663382 /nfs/dbraw/zinc/66/33/82/573663382.db2.gz XMJMZKYQWBRCCX-UHFFFAOYSA-N 0 3 195.218 1.183 10 10 ADCEHN C[C@@H](CC[NH3+])c1ccc(O)c([O-])c1F 258084452 573665706 /nfs/dbraw/zinc/66/57/06/573665706.db2.gz JFVTYHSIJVJHGW-LURJTMIESA-N 0 3 199.225 1.689 10 10 ADCEHN CCOC(=O)c1cccc(C[NH3+])c1[O-] 258080334 573678745 /nfs/dbraw/zinc/67/87/45/573678745.db2.gz VLIIPANKWZKCCB-UHFFFAOYSA-N 0 3 195.218 1.028 10 10 ADCEHN Cc1ccc([C@@H]([NH3+])CF)c([O-])c1C 238478612 573687496 /nfs/dbraw/zinc/68/74/96/573687496.db2.gz ANTJQJDFPVCAGP-VIFPVBQESA-N 0 3 183.226 1.978 10 10 ADCEHN COc1ccc(CNCO)cc1C 258881297 573691036 /nfs/dbraw/zinc/69/10/36/573691036.db2.gz IBAABVBJPIOBPK-UHFFFAOYSA-N 0 3 181.235 1.043 10 10 ADCEHN CC[NH2+][C@@H]1CCOc2cccc([O-])c21 257851168 573693406 /nfs/dbraw/zinc/69/34/06/573693406.db2.gz OXMQYCXTWZTIRN-MRVPVSSYSA-N 0 3 193.246 1.825 10 10 ADCEHN C[C@@H]1NCCc2c1ccc(O)c2O 75793202 573696233 /nfs/dbraw/zinc/69/62/33/573696233.db2.gz DZYVXGBVZYPALR-LURJTMIESA-N 0 3 179.219 1.305 10 10 ADCEHN CN(C)Cc1ccc(O)c(O)c1 108239147 573703963 /nfs/dbraw/zinc/70/39/63/573703963.db2.gz UKBJPGDUWHCWPQ-UHFFFAOYSA-N 0 3 167.208 1.159 10 10 ADCEHN Cc1ccc([C@@](C)([NH3+])CO)c([O-])c1C 238483823 573703965 /nfs/dbraw/zinc/70/39/65/573703965.db2.gz FBMRMRDMDLXHLF-NSHDSACASA-N 0 3 195.262 1.175 10 10 ADCEHN CN(C)c1ccc(CN)c(F)c1 75844822 573706414 /nfs/dbraw/zinc/70/64/14/573706414.db2.gz GLLZUCBGNVSAKG-UHFFFAOYSA-N 0 3 168.215 1.350 10 10 ADCEHN [NH3+]CC1(c2cc([O-])c(O)c(F)c2)CC1 258096163 573713607 /nfs/dbraw/zinc/71/36/07/573713607.db2.gz OILIGNFSLXXDLE-UHFFFAOYSA-N 0 3 197.209 1.227 10 10 ADCEHN C[NH2+]Cc1c([O-])ccc(C)c1C 108285628 573727772 /nfs/dbraw/zinc/72/77/72/573727772.db2.gz UEJOUMZNCJURHB-UHFFFAOYSA-N 0 3 165.236 1.728 10 10 ADCEHN Cc1cc([O-])c(C2([NH3+])CC2)c(O)c1 238487577 573728004 /nfs/dbraw/zinc/72/80/04/573728004.db2.gz VYHKKWLPJCLEJC-UHFFFAOYSA-N 0 3 179.219 1.354 10 10 ADCEHN [NH3+]Cc1c([O-])ccc2c1CCC2 108285150 573728034 /nfs/dbraw/zinc/72/80/34/573728034.db2.gz PNBAHIAUHYHKOA-UHFFFAOYSA-N 0 3 163.220 1.340 10 10 ADCEHN Cc1cc([O-])c([C@@H]([NH3+])C2CC2)cc1O 238488445 573730535 /nfs/dbraw/zinc/73/05/35/573730535.db2.gz PIKRMPULWKRCKS-NSHDSACASA-N 0 3 193.246 1.816 10 10 ADCEHN Cc1cc([O-])c(C2([NH3+])CCC2)cc1O 258113509 573735018 /nfs/dbraw/zinc/73/50/18/573735018.db2.gz PZHIZHJJDGHBMU-UHFFFAOYSA-N 0 3 193.246 1.744 10 10 ADCEHN Cc1cc([O-])c([C@@H]2CC[NH2+]2)cc1F 238489040 573735292 /nfs/dbraw/zinc/73/52/92/573735292.db2.gz BBMJPNYJIPQXJE-VIFPVBQESA-N 0 3 181.210 1.874 10 10 ADCEHN NC[C@H](F)c1ccc(O)c(O)c1 108289335 573736178 /nfs/dbraw/zinc/73/61/78/573736178.db2.gz NEVNPXHLIFMZLX-LURJTMIESA-N 0 3 171.171 1.067 10 10 ADCEHN C[C@H]([NH3+])Cc1cc([O-])c(O)c(F)c1 258103743 573742663 /nfs/dbraw/zinc/74/26/63/573742663.db2.gz PAOWUZJXVRBSTQ-YFKPBYRVSA-N 0 3 185.198 1.127 10 10 ADCEHN CCOc1cccc([O-])c1C(C)(C)[NH3+] 258103607 573742771 /nfs/dbraw/zinc/74/27/71/573742771.db2.gz OYHBMTACGLDUEI-UHFFFAOYSA-N 0 3 195.262 1.985 10 10 ADCEHN COc1ccc(CNCN)cc1C 258903834 573745354 /nfs/dbraw/zinc/74/53/54/573745354.db2.gz OMLLBDGSUPIBCH-UHFFFAOYSA-N 0 3 180.251 1.009 10 10 ADCEHN Cc1ccc2c(c1[O-])[C@@H]([NH3+])CCO2 238500838 573745525 /nfs/dbraw/zinc/74/55/25/573745525.db2.gz FWQVCQJNMYKUFX-ZETCQYMHSA-N 0 3 179.219 1.483 10 10 ADCEHN CO[C@@H]1C[NH2+][C@H](c2ccccc2[O-])C1 257864556 573753689 /nfs/dbraw/zinc/75/36/89/573753689.db2.gz RTLKFKOXBAJRKD-WPRPVWTQSA-N 0 3 193.246 1.442 10 10 ADCEHN CO[C@H]1C[NH2+][C@H](c2ccccc2[O-])C1 257864550 573754009 /nfs/dbraw/zinc/75/40/09/573754009.db2.gz RTLKFKOXBAJRKD-SCZZXKLOSA-N 0 3 193.246 1.442 10 10 ADCEHN CNC[C@@H](F)c1ccc(O)c(O)c1 257870575 573770483 /nfs/dbraw/zinc/77/04/83/573770483.db2.gz YECHXMVQLHUSSI-SSDOTTSWSA-N 0 3 185.198 1.328 10 10 ADCEHN [O-]c1ccccc1[C@H]1C[C@@H](CO)C[NH2+]1 108340985 573770722 /nfs/dbraw/zinc/77/07/22/573770722.db2.gz XPRYCOXMIKTTOG-PSASIEDQSA-N 0 3 193.246 1.035 10 10 ADCEHN Cc1cc([C@H](C)C[NH3+])c(F)c([O-])c1O 258129215 573776848 /nfs/dbraw/zinc/77/68/48/573776848.db2.gz MVJUQIKIIRRCRM-ZCFIWIBFSA-N 0 3 199.225 1.608 10 10 ADCEHN C[NH2+]Cc1cc(F)cc(OC)c1[O-] 108370324 573778457 /nfs/dbraw/zinc/77/84/57/573778457.db2.gz KRXBUXAWVNMUDL-UHFFFAOYSA-N 0 3 185.198 1.259 10 10 ADCEHN COc1ccc(N(C)C)c([C@H](C)N)c1 258128650 573800006 /nfs/dbraw/zinc/80/00/06/573800006.db2.gz RGGVTOBGDPERCA-QMMMGPOBSA-N 0 3 194.278 1.781 10 10 ADCEHN CC[NH2+]Cc1cc(O)c(C)cc1[O-] 143486827 573827250 /nfs/dbraw/zinc/82/72/50/573827250.db2.gz RLGDXABOIZTZEC-UHFFFAOYSA-N 0 3 181.235 1.516 10 10 ADCEHN CC(C)([NH3+])c1c(F)ccc(N)c1[O-] 238146967 573829449 /nfs/dbraw/zinc/82/94/49/573829449.db2.gz ABDNGDRNVRYSPP-UHFFFAOYSA-N 0 3 184.214 1.307 10 10 ADCEHN CC(C)([NH3+])c1cc(CO)ccc1[O-] 238148281 573829768 /nfs/dbraw/zinc/82/97/68/573829768.db2.gz PWAFBTJKLXUFCP-UHFFFAOYSA-N 0 3 181.235 1.078 10 10 ADCEHN CC(C)c1ccc([O-])c2c1OC[C@H]2[NH3+] 238159149 573840333 /nfs/dbraw/zinc/84/03/33/573840333.db2.gz LUJDKMHIISVUPB-MRVPVSSYSA-N 0 3 193.246 1.908 10 10 ADCEHN Cc1cccc(O)c1[C@@H]1COCCN1 238536554 573844662 /nfs/dbraw/zinc/84/46/62/573844662.db2.gz QHLLFOQFPSRZTA-VIFPVBQESA-N 0 3 193.246 1.362 10 10 ADCEHN CC(C)([NH3+])c1cc(N)c(F)cc1[O-] 238150872 573850648 /nfs/dbraw/zinc/85/06/48/573850648.db2.gz PFQKUHXQMLZFEX-UHFFFAOYSA-N 0 3 184.214 1.307 10 10 ADCEHN C[NH2+]C[C@@H](c1ccccc1[O-])N(C)C 257888658 573850861 /nfs/dbraw/zinc/85/08/61/573850861.db2.gz WRYFSBSZAFJRKJ-JTQLQIEISA-N 0 3 194.278 1.214 10 10 ADCEHN C[NH2+]C[C@H](c1ccccc1[O-])N(C)C 257888662 573850994 /nfs/dbraw/zinc/85/09/94/573850994.db2.gz WRYFSBSZAFJRKJ-SNVBAGLBSA-N 0 3 194.278 1.214 10 10 ADCEHN CC(C)[C@@H]([NH3+])c1c([O-])cccc1O 238167531 573857690 /nfs/dbraw/zinc/85/76/90/573857690.db2.gz ISGXPPYNXSHHAU-SNVBAGLBSA-N 0 3 181.235 1.754 10 10 ADCEHN CC(C)[C@H]([NH3+])c1c([O-])cccc1O 238168794 573858371 /nfs/dbraw/zinc/85/83/71/573858371.db2.gz ISGXPPYNXSHHAU-JTQLQIEISA-N 0 3 181.235 1.754 10 10 ADCEHN CC(C)[C@H]([NH3+])c1c(O)ccc(O)c1[O-] 238168721 573861283 /nfs/dbraw/zinc/86/12/83/573861283.db2.gz GNJDHFZLEFDIOG-VIFPVBQESA-N 0 3 197.234 1.459 10 10 ADCEHN CC[C@@]1(c2ccccc2[O-])CC[NH2+]1 258165482 573861365 /nfs/dbraw/zinc/86/13/65/573861365.db2.gz MADNWVNDXQIWCV-NSHDSACASA-N 0 3 177.247 1.991 10 10 ADCEHN Cc1ccc(C([O-])=C[N+]#N)cc1C 84443981 573895550 /nfs/dbraw/zinc/89/55/50/573895550.db2.gz WHWYTNDAQFDFBI-UHFFFAOYSA-N 0 3 174.203 1.787 10 10 ADCEHN CC(C)[C@H]([NH3+])c1cc(O)c(O)cc1[O-] 238174019 573895821 /nfs/dbraw/zinc/89/58/21/573895821.db2.gz KMCUERTWWRQYKE-JTQLQIEISA-N 0 3 197.234 1.459 10 10 ADCEHN CC[NH2+][C@H](CN)c1ccccc1[O-] 257903792 573904203 /nfs/dbraw/zinc/90/42/03/573904203.db2.gz PHVDUAWWPJOGML-SECBINFHSA-N 0 3 180.251 1.002 10 10 ADCEHN CC[NH2+][C@@H](CN)c1ccccc1[O-] 257903793 573904262 /nfs/dbraw/zinc/90/42/62/573904262.db2.gz PHVDUAWWPJOGML-VIFPVBQESA-N 0 3 180.251 1.002 10 10 ADCEHN Cc1cc(C)c([C@@H]([NH3+])CO)c([O-])c1C 259581753 573916603 /nfs/dbraw/zinc/91/66/03/573916603.db2.gz YHAIKYMDVBTAAF-VIFPVBQESA-N 0 3 195.262 1.310 10 10 ADCEHN CC(C)[NH2+]Cc1ccc(N)cc1[O-] 238187142 573923536 /nfs/dbraw/zinc/92/35/36/573923536.db2.gz FZRDPSSKEOHZQJ-UHFFFAOYSA-N 0 3 180.251 1.472 10 10 ADCEHN CC(C)c1ccc2c(c1[O-])[C@@H]([NH3+])CO2 238214846 573942111 /nfs/dbraw/zinc/94/21/11/573942111.db2.gz AJOAOMSNWMMHOT-QMMMGPOBSA-N 0 3 193.246 1.908 10 10 ADCEHN CSc1ccc([C@@H]([NH3+])CO)c([O-])c1 258185602 573942335 /nfs/dbraw/zinc/94/23/35/573942335.db2.gz RFDYGLVRCFKZPX-QMMMGPOBSA-N 0 3 199.275 1.106 10 10 ADCEHN CSc1ccc([C@H]([NH3+])CO)c([O-])c1 258185600 573942428 /nfs/dbraw/zinc/94/24/28/573942428.db2.gz RFDYGLVRCFKZPX-MRVPVSSYSA-N 0 3 199.275 1.106 10 10 ADCEHN CC1(C)Oc2ccc(C[NH3+])c([O-])c2O1 238203600 573945708 /nfs/dbraw/zinc/94/57/08/573945708.db2.gz YDJBUTNTVDTZAG-UHFFFAOYSA-N 0 3 195.218 1.358 10 10 ADCEHN [NH3+]C1(c2ccccc2[O-])CC(F)C1 257914010 573946831 /nfs/dbraw/zinc/94/68/31/573946831.db2.gz QRDVAGINAUQNMN-UHFFFAOYSA-N 0 3 181.210 1.678 10 10 ADCEHN Cc1c(O)ccc(C(C)(C)[NH3+])c1[O-] 257915380 573946887 /nfs/dbraw/zinc/94/68/87/573946887.db2.gz BJAPOHDVZZZBJR-UHFFFAOYSA-N 0 3 181.235 1.600 10 10 ADCEHN C[C@@]1(c2c([O-])cccc2O)CCC[NH2+]1 258186744 573947266 /nfs/dbraw/zinc/94/72/66/573947266.db2.gz WXZQRCQUWRBTEM-NSHDSACASA-N 0 3 193.246 1.696 10 10 ADCEHN C[NH2+]CCc1cc(C)c(O)c([O-])c1F 258190938 573962627 /nfs/dbraw/zinc/96/26/27/573962627.db2.gz RRMJPYGICNODGM-UHFFFAOYSA-N 0 3 199.225 1.307 10 10 ADCEHN [O-]c1c(O)ccc([C@@H]2CCC[NH2+]2)c1F 258189601 573962767 /nfs/dbraw/zinc/96/27/67/573962767.db2.gz XGYBYKJJZADYIZ-ZETCQYMHSA-N 0 3 197.209 1.661 10 10 ADCEHN CCC[C@H]([NH3+])c1cc(O)c(O)cc1[O-] 104405573 573975948 /nfs/dbraw/zinc/97/59/48/573975948.db2.gz WITGSFUYIODPIK-ZETCQYMHSA-N 0 3 197.234 1.603 10 10 ADCEHN CC(C)([NH3+])c1cc2c(cc1[O-])COC2 258194272 573977856 /nfs/dbraw/zinc/97/78/56/573977856.db2.gz XRCWADCMPMHIRV-UHFFFAOYSA-N 0 3 193.246 1.616 10 10 ADCEHN CC[C@@H]([NH3+])c1cccc(CO)c1[O-] 104454441 573983969 /nfs/dbraw/zinc/98/39/69/573983969.db2.gz YIQZAKMZGYPSMQ-SECBINFHSA-N 0 3 181.235 1.294 10 10 ADCEHN CCc1ccc([O-])c([C@@](C)([NH3+])CO)c1 104455355 573986457 /nfs/dbraw/zinc/98/64/57/573986457.db2.gz NHZUMPACLHMLAO-NSHDSACASA-N 0 3 195.262 1.121 10 10 ADCEHN COc1cc([C@@H]2CC[NH2+]2)c([O-])cc1C 104460507 573987151 /nfs/dbraw/zinc/98/71/51/573987151.db2.gz GZYABYYOFCCTSR-VIFPVBQESA-N 0 3 193.246 1.744 10 10 ADCEHN Cc1c(F)ccc([O-])c1[C@H]([NH3+])[C@H](C)O 104486191 574003844 /nfs/dbraw/zinc/00/38/44/574003844.db2.gz RJTCZQOISTVGEG-QUBYGPBYSA-N 0 3 199.225 1.220 10 10 ADCEHN COC[C@@H]([NH3+])c1c([O-])cc(C)cc1O 104485683 574003886 /nfs/dbraw/zinc/00/38/86/574003886.db2.gz GJPQCGTWRTYKGM-SSDOTTSWSA-N 0 3 197.234 1.052 10 10 ADCEHN COC[C@H]([NH3+])c1c([O-])ccc(F)c1C 104487754 574004149 /nfs/dbraw/zinc/00/41/49/574004149.db2.gz XWTNJYPPCGAUIS-QMMMGPOBSA-N 0 3 199.225 1.486 10 10 ADCEHN Cc1c(F)ccc([O-])c1[C@H]([NH3+])[C@@H](C)O 104486182 574005379 /nfs/dbraw/zinc/00/53/79/574005379.db2.gz RJTCZQOISTVGEG-LHLIQPBNSA-N 0 3 199.225 1.220 10 10 ADCEHN Cc1c(F)ccc([O-])c1[C@H]([NH3+])CCO 104493902 574009261 /nfs/dbraw/zinc/00/92/61/574009261.db2.gz KBKPCSQZXQBOPY-MRVPVSSYSA-N 0 3 199.225 1.222 10 10 ADCEHN Cc1c(F)ccc([O-])c1[C@@H]([NH3+])CCO 104493904 574010764 /nfs/dbraw/zinc/01/07/64/574010764.db2.gz KBKPCSQZXQBOPY-QMMMGPOBSA-N 0 3 199.225 1.222 10 10 ADCEHN COC[C@H]([NH3+])c1c([O-])cc(C)cc1O 104490475 574011057 /nfs/dbraw/zinc/01/10/57/574011057.db2.gz GJPQCGTWRTYKGM-ZETCQYMHSA-N 0 3 197.234 1.052 10 10 ADCEHN CCC[C@H]([NH3+])c1ccc(N)cc1[O-] 238247721 574015060 /nfs/dbraw/zinc/01/50/60/574015060.db2.gz HGVIWWZDEIYUSP-VIFPVBQESA-N 0 3 180.251 1.774 10 10 ADCEHN CCC[C@@H]([NH3+])c1cc(N)c(F)cc1[O-] 104507364 574019595 /nfs/dbraw/zinc/01/95/95/574019595.db2.gz WENJZPGLRRYMPB-MRVPVSSYSA-N 0 3 198.241 1.913 10 10 ADCEHN CC(C)[C@@H]([NH3+])c1c(F)ccc(N)c1[O-] 104506028 574019679 /nfs/dbraw/zinc/01/96/79/574019679.db2.gz VPTXRNNFVMSOIQ-SECBINFHSA-N 0 3 198.241 1.769 10 10 ADCEHN C[C@@H]([NH3+])c1cc(N)cc(F)c1[O-] 104507868 574019697 /nfs/dbraw/zinc/01/96/97/574019697.db2.gz CKWDMWGNZVWGDL-SCSAIBSYSA-N 0 3 170.187 1.133 10 10 ADCEHN C[C@@H]([NH3+])c1c(F)ccc(N)c1[O-] 104506634 574019804 /nfs/dbraw/zinc/01/98/04/574019804.db2.gz JKNMYDWGRKWQGK-SCSAIBSYSA-N 0 3 170.187 1.133 10 10 ADCEHN Nc1cc([C@H]([NH3+])C2CC2)c([O-])cc1F 104507908 574020274 /nfs/dbraw/zinc/02/02/74/574020274.db2.gz XZZLZLLBUKDQDR-SNVBAGLBSA-N 0 3 196.225 1.523 10 10 ADCEHN CCC[C@@H]([NH3+])c1cc(F)cc(N)c1[O-] 104510900 574021447 /nfs/dbraw/zinc/02/14/47/574021447.db2.gz DXMPIYVDQWPJDB-MRVPVSSYSA-N 0 3 198.241 1.913 10 10 ADCEHN CC[C@@H]([NH3+])c1cc(N)c(F)cc1[O-] 104512410 574021663 /nfs/dbraw/zinc/02/16/63/574021663.db2.gz RVBYBUZBDHKBOA-SSDOTTSWSA-N 0 3 184.214 1.523 10 10 ADCEHN Nc1ccc(F)c([C@H]([NH3+])C2CC2)c1[O-] 104513639 574022070 /nfs/dbraw/zinc/02/20/70/574022070.db2.gz XARBJYLPQOKJJQ-SECBINFHSA-N 0 3 196.225 1.523 10 10 ADCEHN CC[C@@H]([NH3+])c1cc(N)cc(F)c1[O-] 104512415 574022405 /nfs/dbraw/zinc/02/24/05/574022405.db2.gz OPBMCQHCXNEZEU-MRVPVSSYSA-N 0 3 184.214 1.523 10 10 ADCEHN C[NH2+][C@H](C)c1cc(C)cc(OC)c1[O-] 104518646 574025462 /nfs/dbraw/zinc/02/54/62/574025462.db2.gz QQEVJIPBRKWMLX-MRVPVSSYSA-N 0 3 195.262 1.990 10 10 ADCEHN CC[N@@H+]1CCc2cccc([O-])c2C1 221272089 1169351234 /nfs/dbraw/zinc/35/12/34/1169351234.db2.gz KATOLBDJICROGM-UHFFFAOYSA-N 0 3 177.247 1.770 10 10 ADCEHN CC[N@H+]1CCc2cccc([O-])c2C1 221272089 1169351244 /nfs/dbraw/zinc/35/12/44/1169351244.db2.gz KATOLBDJICROGM-UHFFFAOYSA-N 0 3 177.247 1.770 10 10 ADCEHN C[C@H]([NH2+]C1CC1)c1cc(O)ccc1[O-] 21961241 571675838 /nfs/dbraw/zinc/67/58/38/571675838.db2.gz DEFYFDXLSWJMDD-ZETCQYMHSA-N 0 3 193.246 1.911 10 10 ADCEHN CCc1ccc(OC)c([O-])c1[C@@H](C)[NH3+] 213865684 571679279 /nfs/dbraw/zinc/67/92/79/571679279.db2.gz AWWVLLLLVDIRDY-SSDOTTSWSA-N 0 3 195.262 1.983 10 10 ADCEHN C[NH2+]Cc1c([O-])cccc1OC(C)C 213867333 571677513 /nfs/dbraw/zinc/67/75/13/571677513.db2.gz ALNDXTZNOUYHGQ-UHFFFAOYSA-N 0 3 195.262 1.899 10 10 ADCEHN CCc1cc(C[NH2+]C)c([O-])c(OC)c1 213866058 571677669 /nfs/dbraw/zinc/67/76/69/571677669.db2.gz DCHKXDGRACSBIJ-UHFFFAOYSA-N 0 3 195.262 1.683 10 10 ADCEHN COc1ccc(C(C)C)c(C[NH3+])c1[O-] 213865428 571677625 /nfs/dbraw/zinc/67/76/25/571677625.db2.gz LESUXZMXIHGDOQ-UHFFFAOYSA-N 0 3 195.262 1.983 10 10 ADCEHN CC(C)c1ccc([C@@H]([NH3+])CO)c([O-])c1 213868360 571678055 /nfs/dbraw/zinc/67/80/55/571678055.db2.gz VFZXZPRGJWAOSY-JTQLQIEISA-N 0 3 195.262 1.508 10 10 ADCEHN CCc1ccc(OC)c([O-])c1[C@H](C)[NH3+] 213865739 571678354 /nfs/dbraw/zinc/67/83/54/571678354.db2.gz AWWVLLLLVDIRDY-ZETCQYMHSA-N 0 3 195.262 1.983 10 10 ADCEHN CC(C)c1ccc([C@H]([NH3+])CO)c([O-])c1 213868311 571678429 /nfs/dbraw/zinc/67/84/29/571678429.db2.gz VFZXZPRGJWAOSY-SNVBAGLBSA-N 0 3 195.262 1.508 10 10 ADCEHN C[NH2+]Cc1c(C)cc(OC)c(C)c1[O-] 213866980 571678673 /nfs/dbraw/zinc/67/86/73/571678673.db2.gz RHXSGDASCLGKSW-UHFFFAOYSA-N 0 3 195.262 1.737 10 10 ADCEHN Cc1ccc(CO)c([O-])c1C[NH+](C)C 213870419 571681346 /nfs/dbraw/zinc/68/13/46/571681346.db2.gz CXCZEKFSSJLBAC-UHFFFAOYSA-N 0 3 195.262 1.255 10 10 ADCEHN Cc1cc(CO)cc(C[NH+](C)C)c1[O-] 213870580 571681822 /nfs/dbraw/zinc/68/18/22/571681822.db2.gz PDEMRWVPISQLNY-UHFFFAOYSA-N 0 3 195.262 1.255 10 10 ADCEHN Cc1cc(N)c(O)c(O)c1CN(C)C 213950414 571692815 /nfs/dbraw/zinc/69/28/15/571692815.db2.gz WSTZTMWSTOYJDJ-UHFFFAOYSA-N 0 3 196.250 1.050 10 10 ADCEHN Cc1c(O)c(N)cc(O)c1CN(C)C 213950492 571692919 /nfs/dbraw/zinc/69/29/19/571692919.db2.gz PFVHBDJIUJIEQY-UHFFFAOYSA-N 0 3 196.250 1.050 10 10 ADCEHN COc1ccc([O-])c([C@H](C)[NH3+])c1OC 214019479 571704198 /nfs/dbraw/zinc/70/41/98/571704198.db2.gz NONQCHSFUZLKHL-LURJTMIESA-N 0 3 197.234 1.429 10 10 ADCEHN COc1ccc([O-])c([C@@H](C)[NH3+])c1OC 214019528 571704688 /nfs/dbraw/zinc/70/46/88/571704688.db2.gz NONQCHSFUZLKHL-ZCFIWIBFSA-N 0 3 197.234 1.429 10 10 ADCEHN C[NH2+]Cc1c([O-])ccc(OC)c1OC 214019620 571704722 /nfs/dbraw/zinc/70/47/22/571704722.db2.gz DTSLOURSVNATCH-UHFFFAOYSA-N 0 3 197.234 1.129 10 10 ADCEHN [NH3+]CCc1ccccc1[S-] 116636211 571714133 /nfs/dbraw/zinc/71/41/33/571714133.db2.gz OTJPCEKXUAGPRZ-UHFFFAOYSA-N 0 3 153.250 1.591 10 10 ADCEHN [NH3+][C@@H](CCO)c1cc(CF)ccc1[O-] 214164712 571725688 /nfs/dbraw/zinc/72/56/88/571725688.db2.gz WXCCFDPXDGWANS-VIFPVBQESA-N 0 3 199.225 1.244 10 10 ADCEHN [NH3+][C@H](CCO)c1cc(CF)ccc1[O-] 214164655 571725266 /nfs/dbraw/zinc/72/52/66/571725266.db2.gz WXCCFDPXDGWANS-SECBINFHSA-N 0 3 199.225 1.244 10 10 ADCEHN Cc1ccc([O-])c(C2([NH3+])CC2)c1C 214161489 571725629 /nfs/dbraw/zinc/72/56/29/571725629.db2.gz QSGUGGLAOPZBHO-UHFFFAOYSA-N 0 3 177.247 1.957 10 10 ADCEHN Cc1cc(C2([NH3+])CC2)c([O-])cc1O 214209605 571732212 /nfs/dbraw/zinc/73/22/12/571732212.db2.gz YCLDXATWJXDOFO-UHFFFAOYSA-N 0 3 179.219 1.354 10 10 ADCEHN Cc1ccc(C2([NH3+])CC2)c([O-])c1O 214208584 571733654 /nfs/dbraw/zinc/73/36/54/571733654.db2.gz BCJJKTSQZFDGOY-UHFFFAOYSA-N 0 3 179.219 1.354 10 10 ADCEHN CCc1cc(C[NH3+])c([O-])cc1OC 214270018 571740839 /nfs/dbraw/zinc/74/08/39/571740839.db2.gz WSIMVODWDOUXHO-UHFFFAOYSA-N 0 3 181.235 1.422 10 10 ADCEHN CCc1cc(C[NH2+]C)c([O-])cc1O 214267107 571741070 /nfs/dbraw/zinc/74/10/70/571741070.db2.gz DZBTXJVBSUCFCX-UHFFFAOYSA-N 0 3 181.235 1.380 10 10 ADCEHN CCc1cc([C@H](C)[NH3+])c([O-])cc1O 214269613 571741231 /nfs/dbraw/zinc/74/12/31/571741231.db2.gz OQGYEJLXOVQUFF-LURJTMIESA-N 0 3 181.235 1.680 10 10 ADCEHN CCc1cc([C@@H](C)[NH3+])c([O-])cc1O 214269556 571741597 /nfs/dbraw/zinc/74/15/97/571741597.db2.gz OQGYEJLXOVQUFF-ZCFIWIBFSA-N 0 3 181.235 1.680 10 10 ADCEHN Cc1cc(C(C)(C)[NH3+])c([O-])cc1O 214269171 571741697 /nfs/dbraw/zinc/74/16/97/571741697.db2.gz IPEYRGYNZWVIBH-UHFFFAOYSA-N 0 3 181.235 1.600 10 10 ADCEHN CCOc1ccc([C@@H](C)[NH3+])c([O-])c1 24863165 571742898 /nfs/dbraw/zinc/74/28/98/571742898.db2.gz SNYAMCFIHYDFNU-SSDOTTSWSA-N 0 3 181.235 1.811 10 10 ADCEHN CCOc1ccc([C@H](C)[NH3+])c([O-])c1 24863169 571743972 /nfs/dbraw/zinc/74/39/72/571743972.db2.gz SNYAMCFIHYDFNU-ZETCQYMHSA-N 0 3 181.235 1.811 10 10 ADCEHN CSc1ncc(C2(N)CC2)s1 214463249 571757707 /nfs/dbraw/zinc/75/77/07/571757707.db2.gz FYKOQCQLJQHRHX-UHFFFAOYSA-N 0 3 186.305 1.813 10 10 ADCEHN Oc1ccc(CN2CCCC2)cc1O 142697462 571777308 /nfs/dbraw/zinc/77/73/08/571777308.db2.gz XSDVCHANJFTPSY-UHFFFAOYSA-N 0 3 193.246 1.694 10 10 ADCEHN C[N+](C)(C)Cc1ccccc1[O-] 1998844 571787525 /nfs/dbraw/zinc/78/75/25/571787525.db2.gz DSSBXSXKPWVWNR-UHFFFAOYSA-O 0 3 166.244 1.598 10 10 ADCEHN N#[N+]C=C([O-])c1cc2ccccc2[nH]1 37632819 571790273 /nfs/dbraw/zinc/79/02/73/571790273.db2.gz QHFLKAVHQPGYJT-UHFFFAOYSA-N 0 3 185.186 1.651 10 10 ADCEHN COc1ccc([O-])c(C[NH3+])c1Cl 214505911 571797593 /nfs/dbraw/zinc/79/75/93/571797593.db2.gz AKEALFFQPDGAMC-UHFFFAOYSA-N 0 3 187.626 1.513 10 10 ADCEHN [NH3+]C1(c2cc3c(cc2[O-])CCC3)CC1 214564366 571858869 /nfs/dbraw/zinc/85/88/69/571858869.db2.gz VCNGGBRHQWQUKD-UHFFFAOYSA-N 0 3 189.258 1.829 10 10 ADCEHN Cc1cc([O-])c(C[NH3+])c(C)c1C 29218436 571863109 /nfs/dbraw/zinc/86/31/09/571863109.db2.gz MKOQSDKTYHSMEO-UHFFFAOYSA-N 0 3 165.236 1.776 10 10 ADCEHN CN(C)[C@@H]1Cc2ccc(O)c(O)c2C1 29228005 571864981 /nfs/dbraw/zinc/86/49/81/571864981.db2.gz OTPYIUAXLHFTIM-MRVPVSSYSA-N 0 3 193.246 1.127 10 10 ADCEHN CN(C)[C@H]1Cc2ccc(O)c(O)c2C1 29228011 571865504 /nfs/dbraw/zinc/86/55/04/571865504.db2.gz OTPYIUAXLHFTIM-QMMMGPOBSA-N 0 3 193.246 1.127 10 10 ADCEHN Cc1cc(Cl)cc(C[NH3+])c1[O-] 29220646 571866031 /nfs/dbraw/zinc/86/60/31/571866031.db2.gz LJAUEQNEDHTITE-UHFFFAOYSA-N 0 3 171.627 1.813 10 10 ADCEHN Cc1ccc([O-])c2c1C[NH2+]C2 39059123 571874083 /nfs/dbraw/zinc/87/40/83/571874083.db2.gz DUYKABWCCUBWEQ-UHFFFAOYSA-N 0 3 149.193 1.304 10 10 ADCEHN CC[C@H]([NH3+])c1cc(CCO)ccc1[O-] 211621123 571877780 /nfs/dbraw/zinc/87/77/80/571877780.db2.gz CLIOPKLAFJAZDS-JTQLQIEISA-N 0 3 195.262 1.337 10 10 ADCEHN C=C=C(CN)c1cccc(O)c1O 139114707 571891392 /nfs/dbraw/zinc/89/13/92/571891392.db2.gz QGVZZOKGEATPRI-UHFFFAOYSA-N 0 3 177.203 1.225 10 10 ADCEHN C[C@H]([NH3+])c1cc(CCCO)ccc1[O-] 211597550 571893795 /nfs/dbraw/zinc/89/37/95/571893795.db2.gz HMUBDVKYCYKAAU-QMMMGPOBSA-N 0 3 195.262 1.337 10 10 ADCEHN CC(C)(C)[N-][N+](=O)c1ccc(N)cc1 687728817 571906247 /nfs/dbraw/zinc/90/62/47/571906247.db2.gz PTCGZXAQOUHVQC-UHFFFAOYSA-N 0 3 194.258 1.982 10 10 ADCEHN [NH3+]C/C=C\c1c(F)ccc(O)c1[O-] 687680165 571923108 /nfs/dbraw/zinc/92/31/08/571923108.db2.gz GTZXKXBPXUWEIG-UPHRSURJSA-N 0 3 183.182 1.209 10 10 ADCEHN [NH3+]C/C=C\c1cc([O-])c(O)c(F)c1 687680162 571924042 /nfs/dbraw/zinc/92/40/42/571924042.db2.gz DWPTWIQDVNKZMX-UPHRSURJSA-N 0 3 183.182 1.209 10 10 ADCEHN [NH3+]C/C=C\c1ccc(O)c([O-])c1F 687680189 571924833 /nfs/dbraw/zinc/92/48/33/571924833.db2.gz HAZHSPBABMFDLS-UPHRSURJSA-N 0 3 183.182 1.209 10 10 ADCEHN Cc1ccc(C[NH+](C)C)c([O-])c1 39414366 571928747 /nfs/dbraw/zinc/92/87/47/571928747.db2.gz FTOYQDIBORAUQK-UHFFFAOYSA-N 0 3 165.236 1.762 10 10 ADCEHN [NH3+]C/C=C\c1ccc(Cl)c([O-])c1O 687682407 571933523 /nfs/dbraw/zinc/93/35/23/571933523.db2.gz IMYDHSWEYHBWGG-UPHRSURJSA-N 0 3 199.637 1.723 10 10 ADCEHN Cc1cc(/C=C\C[NH3+])c(F)c([O-])c1O 687682074 571934138 /nfs/dbraw/zinc/93/41/38/571934138.db2.gz URESNXACLDVYMJ-IHWYPQMZSA-N 0 3 197.209 1.517 10 10 ADCEHN CN(C)c1ccc(C[NH+](C)C)c([O-])c1 139800558 571973786 /nfs/dbraw/zinc/97/37/86/571973786.db2.gz IAZRPQTUXVHCJF-UHFFFAOYSA-N 0 3 194.278 1.520 10 10 ADCEHN [NH3+]C1(c2cc3c(cc2[O-])COC3)CC1 214633640 571974716 /nfs/dbraw/zinc/97/47/16/571974716.db2.gz GTIRCVHEOHMQOI-UHFFFAOYSA-N 0 3 191.230 1.370 10 10 ADCEHN C[NH+](C)Cc1ccc(N)cc1[O-] 139799860 571975363 /nfs/dbraw/zinc/97/53/63/571975363.db2.gz DHAMCTOWKNKRRU-UHFFFAOYSA-N 0 3 166.224 1.036 10 10 ADCEHN CC[NH+](CC)Cc1c(N)cccc1[O-] 59859377 571993188 /nfs/dbraw/zinc/99/31/88/571993188.db2.gz FUONVZULSRTEPD-UHFFFAOYSA-N 0 3 194.278 1.816 10 10 ADCEHN C[C@]1([NH3+])CCCc2cccc([O-])c21 219506050 571995738 /nfs/dbraw/zinc/99/57/38/571995738.db2.gz PZEMRAFHFVXWKY-NSHDSACASA-N 0 3 177.247 1.902 10 10 ADCEHN C[C@H]1Cc2cccc([O-])c2[C@@H](C)[NH2+]1 14723603 572015266 /nfs/dbraw/zinc/01/52/66/572015266.db2.gz YDQCMOAPRXUJIY-JGVFFNPUSA-N 0 3 177.247 1.987 10 10 ADCEHN C[C@@H]1[NH2+]CCc2ccc(O)c([O-])c21 14723165 572015471 /nfs/dbraw/zinc/01/54/71/572015471.db2.gz ZGMORAIVFRLFQJ-LURJTMIESA-N 0 3 179.219 1.305 10 10 ADCEHN C[C@@H](CO)C[NH2+]Cc1ccccc1[O-] 82367482 572019017 /nfs/dbraw/zinc/01/90/17/572019017.db2.gz KBRNQZOPKLPLCQ-SECBINFHSA-N 0 3 195.262 1.110 10 10 ADCEHN C[C@H](CO)C[NH2+]Cc1ccccc1[O-] 82367481 572019074 /nfs/dbraw/zinc/01/90/74/572019074.db2.gz KBRNQZOPKLPLCQ-VIFPVBQESA-N 0 3 195.262 1.110 10 10 ADCEHN C[C@H]1[NH2+]CCc2cc(O)c(O)c([O-])c21 14724836 572019403 /nfs/dbraw/zinc/01/94/03/572019403.db2.gz TVQYXGYPRKPEFG-RXMQYKEDSA-N 0 3 195.218 1.010 10 10 ADCEHN C[C@H]1Cc2cccc([O-])c2[C@H](C)[NH2+]1 14723607 572019915 /nfs/dbraw/zinc/01/99/15/572019915.db2.gz YDQCMOAPRXUJIY-YUMQZZPRSA-N 0 3 177.247 1.987 10 10 ADCEHN C[C@@H]1[NH2+]CCc2cc(O)c(O)c([O-])c21 14724834 572019582 /nfs/dbraw/zinc/01/95/82/572019582.db2.gz TVQYXGYPRKPEFG-YFKPBYRVSA-N 0 3 195.218 1.010 10 10 ADCEHN C[C@H]1Cc2cc(O)c(O)cc2CN1 33641861 572027704 /nfs/dbraw/zinc/02/77/04/572027704.db2.gz GAYCCAXXEKOMIU-LURJTMIESA-N 0 3 179.219 1.132 10 10 ADCEHN CCCOc1ccc([O-])c(C[NH3+])c1 71455146 572047544 /nfs/dbraw/zinc/04/75/44/572047544.db2.gz JVFNGSVECIEPAK-UHFFFAOYSA-N 0 3 181.235 1.640 10 10 ADCEHN CC(C)COc1ccc([O-])c(C[NH3+])c1 71455202 572048280 /nfs/dbraw/zinc/04/82/80/572048280.db2.gz PYZCXSAVQKVKCI-UHFFFAOYSA-N 0 3 195.262 1.886 10 10 ADCEHN COc1ccc([C@H](C)[NH3+])c([O-])c1OC 34256860 572065895 /nfs/dbraw/zinc/06/58/95/572065895.db2.gz FCARLFYVENFHIW-LURJTMIESA-N 0 3 197.234 1.429 10 10 ADCEHN CC[NH+](CC)Cc1cccc(O)c1[O-] 34484730 572084851 /nfs/dbraw/zinc/08/48/51/572084851.db2.gz FXKXSAPHBPPPBZ-UHFFFAOYSA-N 0 3 195.262 1.940 10 10 ADCEHN C[C@@H]1N[C@H](C)Cc2cc(O)c(O)cc21 71485098 572106867 /nfs/dbraw/zinc/10/68/67/572106867.db2.gz KOGYNXRFBISGEZ-RQJHMYQMSA-N 0 3 193.246 1.693 10 10 ADCEHN C[C@H]1Cc2cc(O)c(O)cc2[C@@H](C)N1 71485103 572107598 /nfs/dbraw/zinc/10/75/98/572107598.db2.gz KOGYNXRFBISGEZ-NKWVEPMBSA-N 0 3 193.246 1.693 10 10 ADCEHN C[C@H]1Cc2cc(O)c(O)cc2[C@H](C)N1 71485099 572107677 /nfs/dbraw/zinc/10/76/77/572107677.db2.gz KOGYNXRFBISGEZ-BQBZGAKWSA-N 0 3 193.246 1.693 10 10 ADCEHN N#[N+]C=C([O-])c1cccc(Cl)c1 82131576 572169782 /nfs/dbraw/zinc/16/97/82/572169782.db2.gz BRLBAVATUULPLC-UHFFFAOYSA-N 0 3 180.594 1.823 10 10 ADCEHN CC(C)[NH2+]Cc1ccc(O)cc1[O-] 19880489 572203168 /nfs/dbraw/zinc/20/31/68/572203168.db2.gz PPXPNWYOPDCIBN-UHFFFAOYSA-N 0 3 181.235 1.596 10 10 ADCEHN Cc1cccc(C[NH2+]C[C@@H](C)O)c1[O-] 83342291 572204906 /nfs/dbraw/zinc/20/49/06/572204906.db2.gz QSZZKEZYJNGYIW-SECBINFHSA-N 0 3 195.262 1.171 10 10 ADCEHN CC[C@@H](C)[NH2+]Cc1ccc(O)cc1[O-] 19881989 572204282 /nfs/dbraw/zinc/20/42/82/572204282.db2.gz OKAYCZWERQYVGB-MRVPVSSYSA-N 0 3 195.262 1.986 10 10 ADCEHN CC(C)C[NH2+]Cc1ccc(O)cc1[O-] 19882996 572204671 /nfs/dbraw/zinc/20/46/71/572204671.db2.gz GQQXOTHPSLKBGK-UHFFFAOYSA-N 0 3 195.262 1.843 10 10 ADCEHN [NH3+]Cc1c([O-])ccc2cccc(O)c12 687822326 572204878 /nfs/dbraw/zinc/20/48/78/572204878.db2.gz QWNBHXAZGNATHG-UHFFFAOYSA-N 0 3 189.214 1.710 10 10 ADCEHN Cc1cccc(C[NH2+]C[C@H](C)O)c1[O-] 83342292 572205664 /nfs/dbraw/zinc/20/56/64/572205664.db2.gz QSZZKEZYJNGYIW-VIFPVBQESA-N 0 3 195.262 1.171 10 10 ADCEHN C[C@H]1C[C@@H]1[NH2+]Cc1ccc(O)cc1[O-] 52271459 572336144 /nfs/dbraw/zinc/33/61/44/572336144.db2.gz MLZJUBBKSAROSP-XVKPBYJWSA-N 0 3 193.246 1.596 10 10 ADCEHN C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(O)cc1[O-] 52271456 572337529 /nfs/dbraw/zinc/33/75/29/572337529.db2.gz MLZJUBBKSAROSP-XCBNKYQSSA-N 0 3 193.246 1.596 10 10 ADCEHN C[C@H]1C[C@H]1[NH2+]Cc1ccc(O)cc1[O-] 52271464 572339151 /nfs/dbraw/zinc/33/91/51/572339151.db2.gz MLZJUBBKSAROSP-OIBJUYFYSA-N 0 3 193.246 1.596 10 10 ADCEHN CCc1cc(C[NH2+]C)c([O-])cc1OC 214811869 572346636 /nfs/dbraw/zinc/34/66/36/572346636.db2.gz PCHHGBWWTONLPE-UHFFFAOYSA-N 0 3 195.262 1.683 10 10 ADCEHN CCc1cc([C@@H](C)[NH3+])c([O-])cc1OC 214814912 572347362 /nfs/dbraw/zinc/34/73/62/572347362.db2.gz FSHAQRGURZHHPO-SSDOTTSWSA-N 0 3 195.262 1.983 10 10 ADCEHN CCC[C@@H]([NH3+])c1c([O-])cccc1CO 238228417 572391097 /nfs/dbraw/zinc/39/10/97/572391097.db2.gz XUUGGWRRDQCKGJ-SECBINFHSA-N 0 3 195.262 1.684 10 10 ADCEHN Cn1c(CN)ccc1-c1ccco1 76601400 572394877 /nfs/dbraw/zinc/39/48/77/572394877.db2.gz BNEVADIVOKVPMG-UHFFFAOYSA-N 0 3 176.219 1.744 10 10 ADCEHN C[Si](C)(C)CC([O-])=C[N+]#N 687825862 572395561 /nfs/dbraw/zinc/39/55/61/572395561.db2.gz XHPRCQUJXYZASF-UHFFFAOYSA-N 0 3 156.261 1.194 10 10 ADCEHN Nc1ccc(CNCCF)cc1 308015650 572404263 /nfs/dbraw/zinc/40/42/63/572404263.db2.gz RERSSPXNJQAQSU-UHFFFAOYSA-N 0 3 168.215 1.328 10 10 ADCEHN Cn1c(CN)ccc1-c1ccccn1 76632477 572423412 /nfs/dbraw/zinc/42/34/12/572423412.db2.gz XPNFBSLJFKGAGR-UHFFFAOYSA-N 0 3 187.246 1.546 10 10 ADCEHN CN(C)C1=CC(C(=O)N=N)=CCN1 308037022 572468089 /nfs/dbraw/zinc/46/80/89/572468089.db2.gz XPYBCWKXHAMCNZ-RHLGHSRWSA-N 0 3 180.211 1.307 10 10 ADCEHN C[N@@H+]1CC[C@H](N)[C@H]1c1ccccc1[O-] 250560159 572480431 /nfs/dbraw/zinc/48/04/31/572480431.db2.gz CGNVQOHCXXCWSV-GXSJLCMTSA-N 0 3 192.262 1.096 10 10 ADCEHN C[N@H+]1CC[C@H](N)[C@H]1c1ccccc1[O-] 250560159 572480442 /nfs/dbraw/zinc/48/04/42/572480442.db2.gz CGNVQOHCXXCWSV-GXSJLCMTSA-N 0 3 192.262 1.096 10 10 ADCEHN C[N@@H+]1CC[C@@H](N)[C@H]1c1ccccc1[O-] 250560161 572482846 /nfs/dbraw/zinc/48/28/46/572482846.db2.gz CGNVQOHCXXCWSV-MWLCHTKSSA-N 0 3 192.262 1.096 10 10 ADCEHN C[N@H+]1CC[C@@H](N)[C@H]1c1ccccc1[O-] 250560161 572482856 /nfs/dbraw/zinc/48/28/56/572482856.db2.gz CGNVQOHCXXCWSV-MWLCHTKSSA-N 0 3 192.262 1.096 10 10 ADCEHN Cn1c(CN)ccc1-c1cncs1 74247769 572499316 /nfs/dbraw/zinc/49/93/16/572499316.db2.gz RTHVVONOUQNQLF-UHFFFAOYSA-N 0 3 193.275 1.607 10 10 ADCEHN Cc1ccc(C([O-])=C[N+]#N)cc1 78763708 572500008 /nfs/dbraw/zinc/50/00/08/572500008.db2.gz XJXHQFDKVHPDHF-UHFFFAOYSA-N 0 3 160.176 1.478 10 10 ADCEHN Cn1ccc(-c2ccc(CN)n2C)c1 74275620 572522849 /nfs/dbraw/zinc/52/28/49/572522849.db2.gz DMPFFCKKMHYMRX-UHFFFAOYSA-N 0 3 189.262 1.489 10 10 ADCEHN Cc1cc(-c2ccc(CN)n2C)n[nH]1 74274006 572532097 /nfs/dbraw/zinc/53/20/97/572532097.db2.gz FYMFHEBBECTNKB-UHFFFAOYSA-N 0 3 190.250 1.182 10 10 ADCEHN Cc1c[nH]nc1-c1ccc(CN)n1C 74274008 572533532 /nfs/dbraw/zinc/53/35/32/572533532.db2.gz QXSMIFRYWBKHAV-UHFFFAOYSA-N 0 3 190.250 1.182 10 10 ADCEHN Cn1c(CN)ccc1-c1ccncc1 74278852 572542861 /nfs/dbraw/zinc/54/28/61/572542861.db2.gz REEGMUHNIIKOLB-UHFFFAOYSA-N 0 3 187.246 1.546 10 10 ADCEHN CCOc1cccc([C@H](N)CF)c1O 238303347 572545821 /nfs/dbraw/zinc/54/58/21/572545821.db2.gz LSMQDCZYNGNHEI-MRVPVSSYSA-N 0 3 199.225 1.760 10 10 ADCEHN CCOc1cccc([C@H]([NH3+])CF)c1[O-] 238303347 572545824 /nfs/dbraw/zinc/54/58/24/572545824.db2.gz LSMQDCZYNGNHEI-MRVPVSSYSA-N 0 3 199.225 1.760 10 10 ADCEHN CCc1cccc([C@@H](CO)[NH2+]C)c1[O-] 238303390 572545762 /nfs/dbraw/zinc/54/57/62/572545762.db2.gz WGTAIPLVVGMBDE-SNVBAGLBSA-N 0 3 195.262 1.207 10 10 ADCEHN CCc1cccc([C@@H]([NH3+])COC)c1[O-] 238303659 572545961 /nfs/dbraw/zinc/54/59/61/572545961.db2.gz YXOXSXJBIJEUES-JTQLQIEISA-N 0 3 195.262 1.601 10 10 ADCEHN Cc1nc[nH]c1CSCCN(C)C 238312185 572550301 /nfs/dbraw/zinc/55/03/01/572550301.db2.gz XOVKEWVZGVQHJZ-UHFFFAOYSA-N 0 3 199.323 1.513 10 10 ADCEHN CN(C)CCSCc1c[nH]cn1 238312113 572551915 /nfs/dbraw/zinc/55/19/15/572551915.db2.gz WUKLPKTVSAREML-UHFFFAOYSA-N 0 3 185.296 1.205 10 10 ADCEHN COC[C@H](N)c1ccc(N(C)C)cc1 84454982 572556771 /nfs/dbraw/zinc/55/67/71/572556771.db2.gz JKOIGDQVBJBXJZ-NSHDSACASA-N 0 3 194.278 1.399 10 10 ADCEHN COC[C@@H](N)c1ccc(N(C)C)cc1 84454981 572558612 /nfs/dbraw/zinc/55/86/12/572558612.db2.gz JKOIGDQVBJBXJZ-LLVKDONJSA-N 0 3 194.278 1.399 10 10 ADCEHN CCC[C@]([NH3+])(CO)c1ccccc1[O-] 714093742 572587044 /nfs/dbraw/zinc/58/70/44/572587044.db2.gz ZPRDMDAZZICDRM-NSHDSACASA-N 0 3 195.262 1.339 10 10 ADCEHN CCC[C@@]([NH3+])(CO)c1ccccc1[O-] 714093740 572589487 /nfs/dbraw/zinc/58/94/87/572589487.db2.gz ZPRDMDAZZICDRM-LLVKDONJSA-N 0 3 195.262 1.339 10 10 ADCEHN C[C@@H]([NH2+]C1CC1)c1c([O-])cccc1O 235178548 572602535 /nfs/dbraw/zinc/60/25/35/572602535.db2.gz ZVQFFEFXGJCLRL-SSDOTTSWSA-N 0 3 193.246 1.911 10 10 ADCEHN Cc1ccc([C@H]([NH3+])CO)c([O-])c1C 72197450 572609961 /nfs/dbraw/zinc/60/99/61/572609961.db2.gz MMHDHXSMJNTVTJ-SECBINFHSA-N 0 3 181.235 1.001 10 10 ADCEHN Cc1ccc(C)c([C@H]([NH3+])CO)c1[O-] 72197448 572610100 /nfs/dbraw/zinc/61/01/00/572610100.db2.gz FTPURWRRHSKKJI-MRVPVSSYSA-N 0 3 181.235 1.001 10 10 ADCEHN CCCc1cccc([C@@H]([NH3+])CO)c1[O-] 72197762 572610389 /nfs/dbraw/zinc/61/03/89/572610389.db2.gz DPUGQHKMICDBPX-JTQLQIEISA-N 0 3 195.262 1.337 10 10 ADCEHN Cc1cc([O-])c([C@H]([NH3+])CO)cc1C 72197442 572610399 /nfs/dbraw/zinc/61/03/99/572610399.db2.gz FIZWXMFHROMVQU-SECBINFHSA-N 0 3 181.235 1.001 10 10 ADCEHN CCCc1ccc([O-])c([C@H]([NH3+])CO)c1 72197757 572610503 /nfs/dbraw/zinc/61/05/03/572610503.db2.gz DGNBCEOVNIHCBM-SNVBAGLBSA-N 0 3 195.262 1.337 10 10 ADCEHN Cc1ccc(C)c([C@@H]([NH3+])CO)c1[O-] 72197449 572610555 /nfs/dbraw/zinc/61/05/55/572610555.db2.gz FTPURWRRHSKKJI-QMMMGPOBSA-N 0 3 181.235 1.001 10 10 ADCEHN Cc1cc(C)c([C@@H]([NH3+])CO)c([O-])c1 72197447 572611382 /nfs/dbraw/zinc/61/13/82/572611382.db2.gz GWOWYWFZNRIYBM-QMMMGPOBSA-N 0 3 181.235 1.001 10 10 ADCEHN CC(C)c1ccc([O-])c([C@@H]([NH3+])CO)c1 72197756 572611490 /nfs/dbraw/zinc/61/14/90/572611490.db2.gz PSZVEXLUHGHQAA-JTQLQIEISA-N 0 3 195.262 1.508 10 10 ADCEHN C=Cc1ccc([O-])c([C@@H]([NH3+])COC)c1 238358746 572611783 /nfs/dbraw/zinc/61/17/83/572611783.db2.gz BLHLAYLOZRVWLV-JTQLQIEISA-N 0 3 193.246 1.681 10 10 ADCEHN Cc1cc([O-])c([C@@H]([NH3+])CO)cc1C 72197443 572611979 /nfs/dbraw/zinc/61/19/79/572611979.db2.gz FIZWXMFHROMVQU-VIFPVBQESA-N 0 3 181.235 1.001 10 10 ADCEHN CCCc1cccc([C@H]([NH3+])CO)c1[O-] 72197761 572612182 /nfs/dbraw/zinc/61/21/82/572612182.db2.gz DPUGQHKMICDBPX-SNVBAGLBSA-N 0 3 195.262 1.337 10 10 ADCEHN Cc1cc(C)c([C@H]([NH3+])CO)c([O-])c1 72197446 572612350 /nfs/dbraw/zinc/61/23/50/572612350.db2.gz GWOWYWFZNRIYBM-MRVPVSSYSA-N 0 3 181.235 1.001 10 10 ADCEHN CCCc1ccc([O-])c([C@@H]([NH3+])CO)c1 72197758 572612789 /nfs/dbraw/zinc/61/27/89/572612789.db2.gz DGNBCEOVNIHCBM-JTQLQIEISA-N 0 3 195.262 1.337 10 10 ADCEHN C=Cc1ccc([O-])c([C@H](CO)[NH2+]C)c1 238359142 572614063 /nfs/dbraw/zinc/61/40/63/572614063.db2.gz IJPZGJIVAKRVCL-JTQLQIEISA-N 0 3 193.246 1.288 10 10 ADCEHN C=Cc1ccc([O-])c([C@@H](CO)[NH2+]C)c1 238359756 572617619 /nfs/dbraw/zinc/61/76/19/572617619.db2.gz IJPZGJIVAKRVCL-SNVBAGLBSA-N 0 3 193.246 1.288 10 10 ADCEHN COC[C@H]([NH3+])c1ccc(OC)cc1[O-] 238363815 572623517 /nfs/dbraw/zinc/62/35/17/572623517.db2.gz JVZOWKJXWIBVRR-VIFPVBQESA-N 0 3 197.234 1.047 10 10 ADCEHN C=Cc1ccc([O-])c([C@H]([NH3+])COC)c1 238376397 572638542 /nfs/dbraw/zinc/63/85/42/572638542.db2.gz BLHLAYLOZRVWLV-SNVBAGLBSA-N 0 3 193.246 1.681 10 10 ADCEHN CC(C)c1ccc([O-])c([C@@H]([NH3+])CN)c1 72200432 572639015 /nfs/dbraw/zinc/63/90/15/572639015.db2.gz TYSNNNWIKKOWEP-JTQLQIEISA-N 0 3 194.278 1.474 10 10 ADCEHN COC[C@@H]([NH3+])c1ccc(OC)cc1[O-] 238379857 572650680 /nfs/dbraw/zinc/65/06/80/572650680.db2.gz JVZOWKJXWIBVRR-SECBINFHSA-N 0 3 197.234 1.047 10 10 ADCEHN [O-]c1c(CO)cccc1[C@H]1CCC[NH2+]1 72201649 572650857 /nfs/dbraw/zinc/65/08/57/572650857.db2.gz OZSCGICDTUZFGY-SNVBAGLBSA-N 0 3 193.246 1.309 10 10 ADCEHN Cc1cc([O-])c([C@H]2CCC[NH2+]2)c(O)c1 72201652 572651302 /nfs/dbraw/zinc/65/13/02/572651302.db2.gz CEIUEYLTABJVFB-MRVPVSSYSA-N 0 3 193.246 1.831 10 10 ADCEHN [O-]c1ccc(CO)cc1[C@@H]1CCC[NH2+]1 72201646 572652131 /nfs/dbraw/zinc/65/21/31/572652131.db2.gz YKNQGURREIULTQ-JTQLQIEISA-N 0 3 193.246 1.309 10 10 ADCEHN [O-]c1c(CO)cccc1[C@@H]1CCC[NH2+]1 72201648 572652469 /nfs/dbraw/zinc/65/24/69/572652469.db2.gz OZSCGICDTUZFGY-JTQLQIEISA-N 0 3 193.246 1.309 10 10 ADCEHN Cc1cc([O-])c([C@@H]2CCC[NH2+]2)c(O)c1 72201651 572653277 /nfs/dbraw/zinc/65/32/77/572653277.db2.gz CEIUEYLTABJVFB-QMMMGPOBSA-N 0 3 193.246 1.831 10 10 ADCEHN [NH3+]C1(c2cc3c(cc2[O-])OCO3)CC1 214712630 572683121 /nfs/dbraw/zinc/68/31/21/572683121.db2.gz JKGHTRGQGZLHON-UHFFFAOYSA-N 0 3 193.202 1.069 10 10 ADCEHN [NH3+]C1(c2c([O-])ccc3c2OCO3)CC1 214712561 572683450 /nfs/dbraw/zinc/68/34/50/572683450.db2.gz WXOSGQYAWWDLTJ-UHFFFAOYSA-N 0 3 193.202 1.069 10 10 ADCEHN Cc1ccc([O-])c2c1C(=O)C[C@H]2[NH3+] 713753680 572790920 /nfs/dbraw/zinc/79/09/20/572790920.db2.gz OCSDWJLUMZXOND-ZCFIWIBFSA-N 0 3 177.203 1.287 10 10 ADCEHN Cc1ccc([O-])c2c1C(=O)C[C@@H]2[NH3+] 713753677 572791317 /nfs/dbraw/zinc/79/13/17/572791317.db2.gz OCSDWJLUMZXOND-LURJTMIESA-N 0 3 177.203 1.287 10 10 ADCEHN CC(C)Oc1ccc([O-])c(C[NH3+])c1 71455257 572808595 /nfs/dbraw/zinc/80/85/95/572808595.db2.gz NTENZUMYAIRKBC-UHFFFAOYSA-N 0 3 181.235 1.638 10 10 ADCEHN Cc1ccc(C)c(C[NH3+])c1[O-] 71462799 572821814 /nfs/dbraw/zinc/82/18/14/572821814.db2.gz IBUOARHOQXTKIT-UHFFFAOYSA-N 0 3 151.209 1.468 10 10 ADCEHN C[N@@H+]1CC[C@H](N)[C@@H]1c1ccccc1[O-] 75120461 572822215 /nfs/dbraw/zinc/82/22/15/572822215.db2.gz CGNVQOHCXXCWSV-ONGXEEELSA-N 0 3 192.262 1.096 10 10 ADCEHN C[N@H+]1CC[C@H](N)[C@@H]1c1ccccc1[O-] 75120461 572822219 /nfs/dbraw/zinc/82/22/19/572822219.db2.gz CGNVQOHCXXCWSV-ONGXEEELSA-N 0 3 192.262 1.096 10 10 ADCEHN CCOc1ccc([O-])c(C[NH3+])c1 71455092 572822526 /nfs/dbraw/zinc/82/25/26/572822526.db2.gz UILWEAPSEJXJDG-UHFFFAOYSA-N 0 3 167.208 1.250 10 10 ADCEHN CCOc1ccc([O-])c([C@@H](C)[NH3+])c1 71455093 572822653 /nfs/dbraw/zinc/82/26/53/572822653.db2.gz HNYSSVDZOUGKEU-SSDOTTSWSA-N 0 3 181.235 1.811 10 10 ADCEHN C[N@@H+]1CC[C@@H](N)[C@@H]1c1ccccc1[O-] 75120463 572822753 /nfs/dbraw/zinc/82/27/53/572822753.db2.gz CGNVQOHCXXCWSV-KOLCDFICSA-N 0 3 192.262 1.096 10 10 ADCEHN C[N@H+]1CC[C@@H](N)[C@@H]1c1ccccc1[O-] 75120463 572822757 /nfs/dbraw/zinc/82/27/57/572822757.db2.gz CGNVQOHCXXCWSV-KOLCDFICSA-N 0 3 192.262 1.096 10 10 ADCEHN C=Cc1ccc([O-])c([C@@H]([NH3+])CCO)c1 238557144 572824684 /nfs/dbraw/zinc/82/46/84/572824684.db2.gz UJDBWKXAPVUWQD-JTQLQIEISA-N 0 3 193.246 1.417 10 10 ADCEHN CC1(C)CNCc2cc(O)c(O)cc21 71485104 572828953 /nfs/dbraw/zinc/82/89/53/572828953.db2.gz BXUAVJGYDLCQLN-UHFFFAOYSA-N 0 3 193.246 1.479 10 10 ADCEHN CCCc1cc(C[NH3+])c([O-])cc1OC 75598078 572876903 /nfs/dbraw/zinc/87/69/03/572876903.db2.gz HCTHJPCIOZGGHZ-UHFFFAOYSA-N 0 3 195.262 1.812 10 10 ADCEHN CCc1cc(C2([NH3+])CC2)c([O-])cc1O 214730549 572880887 /nfs/dbraw/zinc/88/08/87/572880887.db2.gz YJSGTBMJVFTKSV-UHFFFAOYSA-N 0 3 193.246 1.608 10 10 ADCEHN CCOc1cccc([O-])c1C1([NH3+])CC1 214728176 572881618 /nfs/dbraw/zinc/88/16/18/572881618.db2.gz VJEPROJMFSVUMW-UHFFFAOYSA-N 0 3 193.246 1.739 10 10 ADCEHN Cc1cc([C@H]2CCC[NH2+]2)c([O-])cc1O 214729841 572881630 /nfs/dbraw/zinc/88/16/30/572881630.db2.gz NBJDEUXDUOQPGB-SECBINFHSA-N 0 3 193.246 1.831 10 10 ADCEHN COc1ccc(C2([NH3+])CC2)c([O-])c1C 214728413 572881733 /nfs/dbraw/zinc/88/17/33/572881733.db2.gz QSUZNCFGYBDXCK-UHFFFAOYSA-N 0 3 193.246 1.657 10 10 ADCEHN COc1c(C)ccc(C2([NH3+])CC2)c1[O-] 214728106 572882020 /nfs/dbraw/zinc/88/20/20/572882020.db2.gz ZOAKIBYDOMNEPK-UHFFFAOYSA-N 0 3 193.246 1.657 10 10 ADCEHN COc1cc([O-])c(C2([NH3+])CC2)cc1C 214728336 572882227 /nfs/dbraw/zinc/88/22/27/572882227.db2.gz FKSIEABLSWYALF-UHFFFAOYSA-N 0 3 193.246 1.657 10 10 ADCEHN Cc1cc([C@@H]2CCC[NH2+]2)c([O-])cc1O 214729796 572883511 /nfs/dbraw/zinc/88/35/11/572883511.db2.gz NBJDEUXDUOQPGB-VIFPVBQESA-N 0 3 193.246 1.831 10 10 ADCEHN C[O+]=NN(O)c1c(C)n[n-]c1C 59366356 572969773 /nfs/dbraw/zinc/96/97/73/572969773.db2.gz NSKHIIFXCWNXTM-KTKRTIGZSA-N 0 3 170.172 1.182 10 10 ADCEHN [NH3+][C@@H]1CCCc2c(F)ccc([O-])c21 104526331 572993824 /nfs/dbraw/zinc/99/38/24/572993824.db2.gz AVDSKSURNPVGTO-MRVPVSSYSA-N 0 3 181.210 1.867 10 10 ADCEHN CN1CC[C@@H](Oc2ccc(N)cc2)C1 113279388 572993891 /nfs/dbraw/zinc/99/38/91/572993891.db2.gz ICTGXNILNPWNLH-LLVKDONJSA-N 0 3 192.262 1.352 10 10 ADCEHN [NH3+]CCCCc1ccc(O)c([O-])c1F 258205826 572994022 /nfs/dbraw/zinc/99/40/22/572994022.db2.gz SXEXESKLJPFKIV-UHFFFAOYSA-N 0 3 199.225 1.518 10 10 ADCEHN C[NH2+][C@H](C)c1ccc(O)c(O)c1[O-] 104525074 572995032 /nfs/dbraw/zinc/99/50/32/572995032.db2.gz OGCYYSKTOMEMSP-RXMQYKEDSA-N 0 3 183.207 1.084 10 10 ADCEHN COc1cc([C@@H](C)[NH3+])c([O-])cc1C 104524647 572994763 /nfs/dbraw/zinc/99/47/63/572994763.db2.gz JHZBQOOYHYZWBZ-SSDOTTSWSA-N 0 3 181.235 1.729 10 10 ADCEHN C[NH2+][C@H](C)c1c([O-])cc(O)cc1O 104524581 572995234 /nfs/dbraw/zinc/99/52/34/572995234.db2.gz VCTCPXAEGJSAAN-RXMQYKEDSA-N 0 3 183.207 1.084 10 10 ADCEHN [NH3+][C@@H]1CCOc2cccc([O-])c21 104526683 572996770 /nfs/dbraw/zinc/99/67/70/572996770.db2.gz NJFPPJLVHCNRGC-ZCFIWIBFSA-N 0 3 165.192 1.175 10 10 ADCEHN CN[C@H](C)c1cc(O)c(O)c(O)c1 104525067 572997184 /nfs/dbraw/zinc/99/71/84/572997184.db2.gz UNDYXWLSMSTSHS-RXMQYKEDSA-N 0 3 183.207 1.084 10 10 ADCEHN C[NH2+][C@H](C)c1cc(O)c(O)cc1[O-] 104524576 572998160 /nfs/dbraw/zinc/99/81/60/572998160.db2.gz WLHKDKVWINRXMB-RXMQYKEDSA-N 0 3 183.207 1.084 10 10 ADCEHN [O-]c1ccc(O)cc1[C@@H]1CCCC[NH2+]1 104526265 572998294 /nfs/dbraw/zinc/99/82/94/572998294.db2.gz SQROQCQCYPBDBQ-JTQLQIEISA-N 0 3 193.246 1.912 10 10 ADCEHN CN1CC[C@H](Oc2ccc(N)cc2)C1 113279386 572999540 /nfs/dbraw/zinc/99/95/40/572999540.db2.gz ICTGXNILNPWNLH-NSHDSACASA-N 0 3 192.262 1.352 10 10 ADCEHN CC(C)([NH3+])Cc1c(F)ccc(O)c1[O-] 258215788 573003958 /nfs/dbraw/zinc/00/39/58/573003958.db2.gz UNRBFLNORLDIDW-UHFFFAOYSA-N 0 3 199.225 1.517 10 10 ADCEHN COc1ccc([O-])c(C2([NH3+])CCC2)c1 258214182 573008214 /nfs/dbraw/zinc/00/82/14/573008214.db2.gz ZPRPJONBCXMARQ-UHFFFAOYSA-N 0 3 193.246 1.739 10 10 ADCEHN CSC[C@@H]([NH3+])c1ccccc1[O-] 258219353 573009563 /nfs/dbraw/zinc/00/95/63/573009563.db2.gz QQSUAHZNQXASLS-MRVPVSSYSA-N 0 3 183.276 1.755 10 10 ADCEHN CSC[C@H]([NH3+])c1ccccc1[O-] 258219354 573010282 /nfs/dbraw/zinc/01/02/82/573010282.db2.gz QQSUAHZNQXASLS-QMMMGPOBSA-N 0 3 183.276 1.755 10 10 ADCEHN [O-]c1cc(O)ccc1C[NH+]1CCCC1 258225561 573015183 /nfs/dbraw/zinc/01/51/83/573015183.db2.gz XYICPDSWCLKATC-UHFFFAOYSA-N 0 3 193.246 1.694 10 10 ADCEHN [NH3+][C@@H](CNC1CC1)c1ccccc1[O-] 258223306 573016327 /nfs/dbraw/zinc/01/63/27/573016327.db2.gz QYJNRSCYLSSKGV-JTQLQIEISA-N 0 3 192.262 1.144 10 10 ADCEHN CCN1CC[NH2+]Cc2c([O-])cccc21 259595637 573020063 /nfs/dbraw/zinc/02/00/63/573020063.db2.gz CWVRAGKPDLMEQE-UHFFFAOYSA-N 0 3 192.262 1.322 10 10 ADCEHN Cc1cc([O-])c([C@@H]2CC[NH2+]2)c(O)c1 104575621 573022886 /nfs/dbraw/zinc/02/28/86/573022886.db2.gz AMZKNZBMXWWAAI-ZETCQYMHSA-N 0 3 179.219 1.441 10 10 ADCEHN C[NH2+]Cc1cc(NC(C)=O)ccc1[O-] 113681117 573024268 /nfs/dbraw/zinc/02/42/68/573024268.db2.gz ZOWBXHNSQWVFFG-UHFFFAOYSA-N 0 3 194.234 1.070 10 10 ADCEHN Cc1cc([O-])c([C@H](C)[NH3+])c(O)c1 104575600 573025455 /nfs/dbraw/zinc/02/54/55/573025455.db2.gz XOSVDOFCWUOWTL-LURJTMIESA-N 0 3 167.208 1.426 10 10 ADCEHN Cc1cc([O-])c([C@H]2CC[NH2+]2)c(O)c1 104575624 573025934 /nfs/dbraw/zinc/02/59/34/573025934.db2.gz AMZKNZBMXWWAAI-SSDOTTSWSA-N 0 3 179.219 1.441 10 10 ADCEHN Cc1c(F)ccc([O-])c1[C@H](C)[NH3+] 104574941 573026587 /nfs/dbraw/zinc/02/65/87/573026587.db2.gz DATFJBJCOMKBPY-LURJTMIESA-N 0 3 169.199 1.859 10 10 ADCEHN CC[C@@H]([NH3+])c1c([O-])cc(C)cc1O 104575607 573026610 /nfs/dbraw/zinc/02/66/10/573026610.db2.gz QJYPXOIDFNLGNZ-SSDOTTSWSA-N 0 3 181.235 1.816 10 10 ADCEHN [O-]c1ccccc1C12CC(CC[NH2+]1)C2 257928367 573044336 /nfs/dbraw/zinc/04/43/36/573044336.db2.gz JUYXUSLUODNXIR-UHFFFAOYSA-N 0 3 189.258 1.991 10 10 ADCEHN C[C@@H]([NH3+])c1ccc2c(c1[O-])CCC2 257936962 573052843 /nfs/dbraw/zinc/05/28/43/573052843.db2.gz COQPODLUBLWESI-SSDOTTSWSA-N 0 3 177.247 1.901 10 10 ADCEHN C[C@H]([NH3+])c1ccc2c(c1[O-])CCC2 257936965 573053922 /nfs/dbraw/zinc/05/39/22/573053922.db2.gz COQPODLUBLWESI-ZETCQYMHSA-N 0 3 177.247 1.901 10 10 ADCEHN Cc1ccc(C(C)(C)[NH3+])c([O-])c1O 257938089 573055359 /nfs/dbraw/zinc/05/53/59/573055359.db2.gz CPQALJDOVKNESH-UHFFFAOYSA-N 0 3 181.235 1.600 10 10 ADCEHN CC[NH2+]Cc1c([O-])cccc1OC 308241215 573057024 /nfs/dbraw/zinc/05/70/24/573057024.db2.gz SUEAGEQZQBXKLN-UHFFFAOYSA-N 0 3 181.235 1.510 10 10 ADCEHN CC[C@@H]([NH3+])c1c(O)ccc(O)c1[O-] 238269208 573076092 /nfs/dbraw/zinc/07/60/92/573076092.db2.gz JOWYCSXMRNIOTP-RXMQYKEDSA-N 0 3 183.207 1.213 10 10 ADCEHN CC[C@@H]([NH3+])c1c([O-])ccc(OC)c1O 238269218 573077427 /nfs/dbraw/zinc/07/74/27/573077427.db2.gz ZWQLYSGKYZTHAH-ZCFIWIBFSA-N 0 3 197.234 1.516 10 10 ADCEHN CC[C@@H]([NH3+])c1c(O)ccc(OC)c1[O-] 238269218 573077422 /nfs/dbraw/zinc/07/74/22/573077422.db2.gz ZWQLYSGKYZTHAH-ZCFIWIBFSA-N 0 3 197.234 1.516 10 10 ADCEHN CC[C@@H]([NH3+])c1c([O-])cccc1O 238269277 573080632 /nfs/dbraw/zinc/08/06/32/573080632.db2.gz VYVUZEHIAQKRPO-ZCFIWIBFSA-N 0 3 167.208 1.508 10 10 ADCEHN CC[C@@H]([NH3+])c1c([O-])cccc1CO 238269257 573080994 /nfs/dbraw/zinc/08/09/94/573080994.db2.gz XERCHKZGKJVBQC-MRVPVSSYSA-N 0 3 181.235 1.294 10 10 ADCEHN CC[C@@H]([NH3+])c1cc(C)cc(O)c1[O-] 238271949 573082805 /nfs/dbraw/zinc/08/28/05/573082805.db2.gz SGUVCBUCZUMCPD-MRVPVSSYSA-N 0 3 181.235 1.816 10 10 ADCEHN CCOc1cc([O-])c2c(c1)CC[C@H]2[NH3+] 238271701 573083623 /nfs/dbraw/zinc/08/36/23/573083623.db2.gz PYJIOIUDMOJXFS-SECBINFHSA-N 0 3 193.246 1.737 10 10 ADCEHN CCOc1cc([O-])c2c(c1)CC[C@@H]2[NH3+] 238271660 573083226 /nfs/dbraw/zinc/08/32/26/573083226.db2.gz PYJIOIUDMOJXFS-VIFPVBQESA-N 0 3 193.246 1.737 10 10 ADCEHN CCOc1cc([O-])c2c(c1)OC[C@@H]2[NH3+] 238271671 573085415 /nfs/dbraw/zinc/08/54/15/573085415.db2.gz LHCAGVWTKHIRAC-ZETCQYMHSA-N 0 3 195.218 1.183 10 10 ADCEHN CCOc1cc([O-])c2c(c1)OC[C@H]2[NH3+] 238271707 573086941 /nfs/dbraw/zinc/08/69/41/573086941.db2.gz LHCAGVWTKHIRAC-SSDOTTSWSA-N 0 3 195.218 1.183 10 10 ADCEHN Cc1cc([O-])c(C2([NH3+])CC2)cc1O 257942370 573087513 /nfs/dbraw/zinc/08/75/13/573087513.db2.gz DITQTJSKWIUNJK-UHFFFAOYSA-N 0 3 179.219 1.354 10 10 ADCEHN CC[C@@H]([NH3+])c1cc([O-])cs1 238276498 573095153 /nfs/dbraw/zinc/09/51/53/573095153.db2.gz PMKWIJSQHNOEOL-ZCFIWIBFSA-N 0 3 157.238 1.864 10 10 ADCEHN CC[C@@H]([NH3+])c1cc(O)c(C)cc1[O-] 238276009 573095431 /nfs/dbraw/zinc/09/54/31/573095431.db2.gz PEKCZUXGSOOJCS-MRVPVSSYSA-N 0 3 181.235 1.816 10 10 ADCEHN CC[C@@H]([NH3+])c1cc(O)c(O)cc1[O-] 238276183 573095757 /nfs/dbraw/zinc/09/57/57/573095757.db2.gz HUAVAQHGGYCXNA-ZCFIWIBFSA-N 0 3 183.207 1.213 10 10 ADCEHN CC[C@@H]([NH3+])c1cc(OC)c(O)cc1[O-] 238276665 573095989 /nfs/dbraw/zinc/09/59/89/573095989.db2.gz JXYSVZCNTNDCCM-SSDOTTSWSA-N 0 3 197.234 1.516 10 10 ADCEHN CC[C@@H]([NH3+])c1cc(O)c(OC)cc1[O-] 238276207 573096803 /nfs/dbraw/zinc/09/68/03/573096803.db2.gz IFUGFZZOEFLTNL-SSDOTTSWSA-N 0 3 197.234 1.516 10 10 ADCEHN [NH3+]C1(c2cc(O)ccc2[O-])CCCC1 257943701 573098600 /nfs/dbraw/zinc/09/86/00/573098600.db2.gz AEWRNMBXWZWBQV-UHFFFAOYSA-N 0 3 193.246 1.826 10 10 ADCEHN CC[C@@H]([NH3+])c1cc(OC)cc(O)c1[O-] 238276763 573098754 /nfs/dbraw/zinc/09/87/54/573098754.db2.gz JDJYMFCBMMSGAA-MRVPVSSYSA-N 0 3 197.234 1.516 10 10 ADCEHN CC[C@@H]([NH3+])c1ccc(N)cc1[O-] 238280365 573106746 /nfs/dbraw/zinc/10/67/46/573106746.db2.gz YAQUUICELQFSSN-MRVPVSSYSA-N 0 3 166.224 1.384 10 10 ADCEHN CCOc1ccc([O-])c(C2([NH3+])CC2)c1 238279387 573107937 /nfs/dbraw/zinc/10/79/37/573107937.db2.gz ALSUIYFUWPELHD-UHFFFAOYSA-N 0 3 193.246 1.739 10 10 ADCEHN Nc1ccc(C[NH2+]C2CCC2)c([O-])c1 258232583 573109735 /nfs/dbraw/zinc/10/97/35/573109735.db2.gz YSLLDTLPEXGKJQ-UHFFFAOYSA-N 0 3 192.262 1.617 10 10 ADCEHN CCOc1ccc2c(c1[O-])[C@H]([NH3+])CC2 238286800 573111747 /nfs/dbraw/zinc/11/17/47/573111747.db2.gz XUYRAOXLCYESHD-MRVPVSSYSA-N 0 3 193.246 1.737 10 10 ADCEHN CCOc1ccc2c(c1[O-])[C@@H]([NH3+])CC2 238286883 573111979 /nfs/dbraw/zinc/11/19/79/573111979.db2.gz XUYRAOXLCYESHD-QMMMGPOBSA-N 0 3 193.246 1.737 10 10 ADCEHN CCc1ccc2c(c1[O-])[C@H]([NH3+])CC2 238288306 573118459 /nfs/dbraw/zinc/11/84/59/573118459.db2.gz GQOJJXFBJCXKHQ-SECBINFHSA-N 0 3 177.247 1.901 10 10 ADCEHN CCOc1ccc2c(c1[O-])[C@H]([NH3+])CO2 238287773 573119668 /nfs/dbraw/zinc/11/96/68/573119668.db2.gz JLXZLYTZZAQMGJ-ZCFIWIBFSA-N 0 3 195.218 1.183 10 10 ADCEHN CCc1ccc2c(c1[O-])[C@@H]([NH3+])CC2 238288443 573119850 /nfs/dbraw/zinc/11/98/50/573119850.db2.gz GQOJJXFBJCXKHQ-VIFPVBQESA-N 0 3 177.247 1.901 10 10 ADCEHN CC[C@@H]([NH3+])c1ccc(O)c(C)c1[O-] 238280712 573120784 /nfs/dbraw/zinc/12/07/84/573120784.db2.gz LVDYTSIFFOIHDT-MRVPVSSYSA-N 0 3 181.235 1.816 10 10 ADCEHN C[C@@H](CC[NH3+])c1cc([O-])c(O)c(F)c1 258233728 573121119 /nfs/dbraw/zinc/12/11/19/573121119.db2.gz WBRBRTLKSKZAIM-LURJTMIESA-N 0 3 199.225 1.689 10 10 ADCEHN C[C@H](CC[NH3+])c1cc([O-])c(O)c(F)c1 258233731 573122832 /nfs/dbraw/zinc/12/28/32/573122832.db2.gz WBRBRTLKSKZAIM-ZCFIWIBFSA-N 0 3 199.225 1.689 10 10 ADCEHN [NH3+]CCCc1ccc(O)c([O-])c1F 257949627 573127021 /nfs/dbraw/zinc/12/70/21/573127021.db2.gz AUFCWGUQHRSTRN-UHFFFAOYSA-N 0 3 185.198 1.128 10 10 ADCEHN CC[C@@H]([NH3+])c1ccc(OC)c(O)c1[O-] 238281391 573128086 /nfs/dbraw/zinc/12/80/86/573128086.db2.gz SUWILECOLMPUAF-SSDOTTSWSA-N 0 3 197.234 1.516 10 10 ADCEHN CCc1ccc([O-])c([C@@H]([NH3+])CF)c1 238283374 573134012 /nfs/dbraw/zinc/13/40/12/573134012.db2.gz CHBJVHCSGCBRKU-VIFPVBQESA-N 0 3 183.226 1.924 10 10 ADCEHN CCc1ccc([O-])c2c1OC[C@H]2[NH3+] 238284122 573132935 /nfs/dbraw/zinc/13/29/35/573132935.db2.gz AZBJJNBVFQRCBU-SSDOTTSWSA-N 0 3 179.219 1.347 10 10 ADCEHN CCc1ccc([O-])c2c1CC[C@H]2[NH3+] 238284108 573134118 /nfs/dbraw/zinc/13/41/18/573134118.db2.gz RKRDVGUOIQCDKN-SECBINFHSA-N 0 3 177.247 1.901 10 10 ADCEHN CCc1ccc([O-])c2c1OCC[C@@H]2[NH3+] 238283998 573133614 /nfs/dbraw/zinc/13/36/14/573133614.db2.gz SAQCGINNGWFWEI-QMMMGPOBSA-N 0 3 193.246 1.737 10 10 ADCEHN CN(C)c1ccc2c(c1)[C@H](N)CO2 104659675 573135457 /nfs/dbraw/zinc/13/54/57/573135457.db2.gz SLFXCKSXFCDTIV-SECBINFHSA-N 0 3 178.235 1.145 10 10 ADCEHN CCc1ccc([O-])c2c1CC[C@@H]2[NH3+] 238284021 573135497 /nfs/dbraw/zinc/13/54/97/573135497.db2.gz RKRDVGUOIQCDKN-VIFPVBQESA-N 0 3 177.247 1.901 10 10 ADCEHN Cc1c(Cl)cc(O)c([O-])c1C[NH3+] 257951717 573135633 /nfs/dbraw/zinc/13/56/33/573135633.db2.gz AYOIIBYHXNLHHZ-UHFFFAOYSA-N 0 3 187.626 1.518 10 10 ADCEHN CCc1ccc([O-])c2c1OC[C@@H]2[NH3+] 238284042 573136138 /nfs/dbraw/zinc/13/61/38/573136138.db2.gz AZBJJNBVFQRCBU-ZETCQYMHSA-N 0 3 179.219 1.347 10 10 ADCEHN CCc1ccc([O-])c([C@H]([NH3+])CF)c1 238283586 573136396 /nfs/dbraw/zinc/13/63/96/573136396.db2.gz CHBJVHCSGCBRKU-SECBINFHSA-N 0 3 183.226 1.924 10 10 ADCEHN COC[C@@H]([NH3+])c1cc(C)ccc1[O-] 104659637 573137446 /nfs/dbraw/zinc/13/74/46/573137446.db2.gz LZTNMXJDVQBJPK-SECBINFHSA-N 0 3 181.235 1.347 10 10 ADCEHN COc1ccc(C)c([O-])c1C1([NH3+])CC1 257955991 573137973 /nfs/dbraw/zinc/13/79/73/573137973.db2.gz BKGXAAOUCDGLAO-UHFFFAOYSA-N 0 3 193.246 1.657 10 10 ADCEHN COC[C@@H]([NH3+])c1ccccc1[O-] 104659621 573139633 /nfs/dbraw/zinc/13/96/33/573139633.db2.gz GSVFNSYJFVVVBG-MRVPVSSYSA-N 0 3 167.208 1.038 10 10 ADCEHN CCc1ccc2c(c1[O-])[C@H]([NH3+])CCO2 238289764 573141238 /nfs/dbraw/zinc/14/12/38/573141238.db2.gz DVAUIDRERAVUSK-MRVPVSSYSA-N 0 3 193.246 1.737 10 10 ADCEHN CCc1ccc2c(c1[O-])[C@@H]([NH3+])CCO2 238289796 573141937 /nfs/dbraw/zinc/14/19/37/573141937.db2.gz DVAUIDRERAVUSK-QMMMGPOBSA-N 0 3 193.246 1.737 10 10 ADCEHN CN(C)c1ccc2c(c1)OC[C@H]2N 104664757 573142392 /nfs/dbraw/zinc/14/23/92/573142392.db2.gz SJUZAJHUJWBIJS-SECBINFHSA-N 0 3 178.235 1.145 10 10 ADCEHN CCOc1ccc([O-])c2c1OC[C@H]2[NH3+] 238291129 573143463 /nfs/dbraw/zinc/14/34/63/573143463.db2.gz ZYSOWFRYONXVAP-ZCFIWIBFSA-N 0 3 195.218 1.183 10 10 ADCEHN CCOc1ccc([O-])c(C(C)(C)[NH3+])c1 238290446 573143633 /nfs/dbraw/zinc/14/36/33/573143633.db2.gz VSNFFNZWCRSUCO-UHFFFAOYSA-N 0 3 195.262 1.985 10 10 ADCEHN CN(C)c1ccc2c(c1)[C@@H](N)CO2 104663437 573143853 /nfs/dbraw/zinc/14/38/53/573143853.db2.gz SLFXCKSXFCDTIV-VIFPVBQESA-N 0 3 178.235 1.145 10 10 ADCEHN COC[C@H]([NH3+])c1cc(C)ccc1[O-] 104663909 573145214 /nfs/dbraw/zinc/14/52/14/573145214.db2.gz LZTNMXJDVQBJPK-VIFPVBQESA-N 0 3 181.235 1.347 10 10 ADCEHN CCOc1ccc([O-])c2c1CC[C@@H]2[NH3+] 238291067 573145931 /nfs/dbraw/zinc/14/59/31/573145931.db2.gz LEGJBJZJZNKHGY-QMMMGPOBSA-N 0 3 193.246 1.737 10 10 ADCEHN CN(C)[C@@H]1C[C@H]1c1ccc(O)c(O)c1 238291138 573146292 /nfs/dbraw/zinc/14/62/92/573146292.db2.gz DBSWGRFYUPDTSK-DTWKUNHWSA-N 0 3 193.246 1.515 10 10 ADCEHN CCc1ccc2c(c1[O-])[C@@H]([NH3+])CO2 238290158 573146548 /nfs/dbraw/zinc/14/65/48/573146548.db2.gz ZXUYOMHDOQKTCR-ZETCQYMHSA-N 0 3 179.219 1.347 10 10 ADCEHN CCOc1ccc([O-])c2c1CC[C@H]2[NH3+] 238291114 573147234 /nfs/dbraw/zinc/14/72/34/573147234.db2.gz LEGJBJZJZNKHGY-MRVPVSSYSA-N 0 3 193.246 1.737 10 10 ADCEHN CCOc1ccc([O-])c2c1OC[C@@H]2[NH3+] 238291080 573147698 /nfs/dbraw/zinc/14/76/98/573147698.db2.gz ZYSOWFRYONXVAP-LURJTMIESA-N 0 3 195.218 1.183 10 10 ADCEHN CCc1ccc2c(c1[O-])[C@H]([NH3+])CO2 238290012 573147870 /nfs/dbraw/zinc/14/78/70/573147870.db2.gz ZXUYOMHDOQKTCR-SSDOTTSWSA-N 0 3 179.219 1.347 10 10 ADCEHN CN(C)c1ccc2c(c1)OC[C@@H]2N 104668987 573152199 /nfs/dbraw/zinc/15/21/99/573152199.db2.gz SJUZAJHUJWBIJS-VIFPVBQESA-N 0 3 178.235 1.145 10 10 ADCEHN CCc1ccc([C@@H]([NH3+])CF)c([O-])c1 238291618 573153197 /nfs/dbraw/zinc/15/31/97/573153197.db2.gz CWMIDJZNKUTMGZ-VIFPVBQESA-N 0 3 183.226 1.924 10 10 ADCEHN CCc1ccc([C@H]([NH3+])CF)c([O-])c1 238293382 573156264 /nfs/dbraw/zinc/15/62/64/573156264.db2.gz CWMIDJZNKUTMGZ-SECBINFHSA-N 0 3 183.226 1.924 10 10 ADCEHN Cc1cc([O-])c([C@H](C)[NH3+])cc1F 82703819 573157988 /nfs/dbraw/zinc/15/79/88/573157988.db2.gz SHOAYKICLFQHIQ-LURJTMIESA-N 0 3 169.199 1.859 10 10 ADCEHN Cc1cc([O-])c([C@@H](C)[NH3+])cc1F 82703817 573158414 /nfs/dbraw/zinc/15/84/14/573158414.db2.gz SHOAYKICLFQHIQ-ZCFIWIBFSA-N 0 3 169.199 1.859 10 10 ADCEHN COc1ccc(N(C)C)c(CN)c1 257958177 573170470 /nfs/dbraw/zinc/17/04/70/573170470.db2.gz GKACITSTERVFSD-UHFFFAOYSA-N 0 3 180.251 1.220 10 10 ADCEHN [NH3+]C1(Cc2c(F)ccc(O)c2[O-])CC1 257958130 573172764 /nfs/dbraw/zinc/17/27/64/573172764.db2.gz BMAOWIVCOIQQBK-UHFFFAOYSA-N 0 3 197.209 1.271 10 10 ADCEHN CCSc1cccc(C[NH3+])c1[O-] 238304157 573173110 /nfs/dbraw/zinc/17/31/10/573173110.db2.gz DECVJCRGUDLQKJ-UHFFFAOYSA-N 0 3 183.276 1.963 10 10 ADCEHN CCc1cccc([C@](C)([NH3+])CO)c1[O-] 238304364 573174208 /nfs/dbraw/zinc/17/42/08/573174208.db2.gz JDHHEAMXRPDWFH-LLVKDONJSA-N 0 3 195.262 1.121 10 10 ADCEHN COc1ccc([O-])c([C@H]2CCC[NH2+]2)c1 104677383 573175031 /nfs/dbraw/zinc/17/50/31/573175031.db2.gz GOQWMVJELWRTOP-SNVBAGLBSA-N 0 3 193.246 1.825 10 10 ADCEHN COc1cc(C(C)(C)[NH3+])c([O-])cc1C 257960409 573176970 /nfs/dbraw/zinc/17/69/70/573176970.db2.gz BVFWOUZLVPMHIU-UHFFFAOYSA-N 0 3 195.262 1.903 10 10 ADCEHN CCc1cccc([C@@](C)([NH3+])CO)c1[O-] 238303857 573177045 /nfs/dbraw/zinc/17/70/45/573177045.db2.gz JDHHEAMXRPDWFH-NSHDSACASA-N 0 3 195.262 1.121 10 10 ADCEHN COc1ccc([O-])c([C@@H]2CCC[NH2+]2)c1 104679456 573178218 /nfs/dbraw/zinc/17/82/18/573178218.db2.gz GOQWMVJELWRTOP-JTQLQIEISA-N 0 3 193.246 1.825 10 10 ADCEHN C[C@H]([NH3+])Cc1c(F)ccc(O)c1[O-] 257960452 573180859 /nfs/dbraw/zinc/18/08/59/573180859.db2.gz BWBLFFMZRJMNMR-YFKPBYRVSA-N 0 3 185.198 1.127 10 10 ADCEHN [O-]c1c(O)cc([C@H]2CCC[NH2+]2)cc1O 104681042 573180906 /nfs/dbraw/zinc/18/09/06/573180906.db2.gz MIZQNKCQSZOMSB-SSDOTTSWSA-N 0 3 195.218 1.228 10 10 ADCEHN C[C@@H]([NH3+])Cc1c(F)ccc(O)c1[O-] 257960451 573181785 /nfs/dbraw/zinc/18/17/85/573181785.db2.gz BWBLFFMZRJMNMR-RXMQYKEDSA-N 0 3 185.198 1.127 10 10 ADCEHN Cc1cc([O-])c([C@@H]([NH3+])C2CC2)c(O)c1 104683381 573182304 /nfs/dbraw/zinc/18/23/04/573182304.db2.gz VPLRMEHOFVYOFY-NSHDSACASA-N 0 3 193.246 1.816 10 10 ADCEHN Cc1cc([O-])c([C@H]([NH3+])C2CC2)c(O)c1 104683376 573186498 /nfs/dbraw/zinc/18/64/98/573186498.db2.gz VPLRMEHOFVYOFY-LLVKDONJSA-N 0 3 193.246 1.816 10 10 ADCEHN CN(C)[C@H]1C[C@@H]1c1ccc(O)c(O)c1 238300344 573188630 /nfs/dbraw/zinc/18/86/30/573188630.db2.gz DBSWGRFYUPDTSK-BDAKNGLRSA-N 0 3 193.246 1.515 10 10 ADCEHN C[C@H]([NH2+]C1CC1)c1c([O-])cccc1O 235522450 573194643 /nfs/dbraw/zinc/19/46/43/573194643.db2.gz ZVQFFEFXGJCLRL-ZETCQYMHSA-N 0 3 193.246 1.911 10 10 ADCEHN CC[C@H]([NH3+])c1cc([O-])cs1 238314070 573197514 /nfs/dbraw/zinc/19/75/14/573197514.db2.gz PMKWIJSQHNOEOL-LURJTMIESA-N 0 3 157.238 1.864 10 10 ADCEHN [O-]c1ccccc1[C@H]1CCC[C@H](O)[NH2+]1 258484428 573201304 /nfs/dbraw/zinc/20/13/04/573201304.db2.gz FITIOHLTHDWZSF-KOLCDFICSA-N 0 3 193.246 1.525 10 10 ADCEHN [O-]c1ccccc1[C@H]1CCC[C@@H](O)[NH2+]1 258484431 573202054 /nfs/dbraw/zinc/20/20/54/573202054.db2.gz FITIOHLTHDWZSF-MWLCHTKSSA-N 0 3 193.246 1.525 10 10 ADCEHN C[NH2+][C@H]1CCCc2cccc([O-])c21 257963994 573206104 /nfs/dbraw/zinc/20/61/04/573206104.db2.gz XUBNKHNEDHSNFA-VIFPVBQESA-N 0 3 177.247 1.989 10 10 ADCEHN C[NH2+][C@H](CCO)c1cc(C)ccc1[O-] 107486410 573206876 /nfs/dbraw/zinc/20/68/76/573206876.db2.gz XBOJRWANRCKKOH-SNVBAGLBSA-N 0 3 195.262 1.344 10 10 ADCEHN CC[C@H]([NH3+])c1cc(O)c(O)cc1[O-] 238313773 573213967 /nfs/dbraw/zinc/21/39/67/573213967.db2.gz HUAVAQHGGYCXNA-LURJTMIESA-N 0 3 183.207 1.213 10 10 ADCEHN Oc1ccc(CNCCCF)cc1O 308517706 573216506 /nfs/dbraw/zinc/21/65/06/573216506.db2.gz GCGLOQAJCVMWQB-UHFFFAOYSA-N 0 3 199.225 1.547 10 10 ADCEHN C[C@H]([NH2+]CCF)c1c([O-])cccc1O 308519108 573220086 /nfs/dbraw/zinc/22/00/86/573220086.db2.gz GVVCPTMJGCNCLV-ZETCQYMHSA-N 0 3 199.225 1.718 10 10 ADCEHN CC1(C)C[NH2+][C@@H](c2ccccc2[O-])O1 258596004 573221255 /nfs/dbraw/zinc/22/12/55/573221255.db2.gz QMGRGOHYHDATGN-SNVBAGLBSA-N 0 3 193.246 1.789 10 10 ADCEHN CC[C@H]([NH3+])c1c([O-])cccc1O 238309457 573221401 /nfs/dbraw/zinc/22/14/01/573221401.db2.gz VYVUZEHIAQKRPO-LURJTMIESA-N 0 3 167.208 1.508 10 10 ADCEHN C[C@@H]([NH2+]CCF)c1c([O-])cccc1O 308519107 573222241 /nfs/dbraw/zinc/22/22/41/573222241.db2.gz GVVCPTMJGCNCLV-SSDOTTSWSA-N 0 3 199.225 1.718 10 10 ADCEHN CC[C@H]([NH3+])c1c(O)ccc(O)c1[O-] 238309400 573223319 /nfs/dbraw/zinc/22/33/19/573223319.db2.gz JOWYCSXMRNIOTP-YFKPBYRVSA-N 0 3 183.207 1.213 10 10 ADCEHN C[C@@H](NCCF)c1cc(O)ccc1O 308519895 573227412 /nfs/dbraw/zinc/22/74/12/573227412.db2.gz HCWXYUOJFZDBLN-SSDOTTSWSA-N 0 3 199.225 1.718 10 10 ADCEHN C[C@H](NCCF)c1cc(O)ccc1O 308519896 573229227 /nfs/dbraw/zinc/22/92/27/573229227.db2.gz HCWXYUOJFZDBLN-ZETCQYMHSA-N 0 3 199.225 1.718 10 10 ADCEHN C[NH+](C)C1(c2ccccc2[O-])CC1 238323111 573234769 /nfs/dbraw/zinc/23/47/69/573234769.db2.gz DIRLWGCPUJXRED-UHFFFAOYSA-N 0 3 177.247 1.943 10 10 ADCEHN C[C@H]1C[NH2+][C@@H](c2ccccc2[O-])OC1 258487379 573238591 /nfs/dbraw/zinc/23/85/91/573238591.db2.gz LMRGNJROSCTDMR-GZMMTYOYSA-N 0 3 193.246 1.647 10 10 ADCEHN [O-]c1ccccc1[C@@H]1[NH2+]CCCO1 258604186 573238619 /nfs/dbraw/zinc/23/86/19/573238619.db2.gz QUBIAVOBBVPDFO-SNVBAGLBSA-N 0 3 179.219 1.401 10 10 ADCEHN C[C@H]1C[NH2+][C@H](c2ccccc2[O-])OC1 258487444 573240031 /nfs/dbraw/zinc/24/00/31/573240031.db2.gz LMRGNJROSCTDMR-KWQFWETISA-N 0 3 193.246 1.647 10 10 ADCEHN CC[C@H]([NH3+])c1ccc(N)cc1[O-] 238316670 573249149 /nfs/dbraw/zinc/24/91/49/573249149.db2.gz YAQUUICELQFSSN-QMMMGPOBSA-N 0 3 166.224 1.384 10 10 ADCEHN C[C@@H]1C[NH2+][C@@H](c2ccccc2[O-])O1 258614172 573259770 /nfs/dbraw/zinc/25/97/70/573259770.db2.gz QYWSTPXMUJODKZ-GMSGAONNSA-N 0 3 179.219 1.399 10 10 ADCEHN C[C@@H]1C[NH2+][C@H](c2ccccc2[O-])O1 258614176 573259750 /nfs/dbraw/zinc/25/97/50/573259750.db2.gz QYWSTPXMUJODKZ-XCBNKYQSSA-N 0 3 179.219 1.399 10 10 ADCEHN Nc1ccc(CN2CC=CC2)cc1 116323205 573260952 /nfs/dbraw/zinc/26/09/52/573260952.db2.gz XDVLZNTXFMILTC-UHFFFAOYSA-N 0 3 174.247 1.641 10 10 ADCEHN COCc1ccc([O-])c(C(C)(C)[NH3+])c1 238326688 573261609 /nfs/dbraw/zinc/26/16/09/573261609.db2.gz OVJQFXTUCZESER-UHFFFAOYSA-N 0 3 195.262 1.732 10 10 ADCEHN Cc1cc(O)c([O-])c2c1CC[NH2+]C2 257983075 573261991 /nfs/dbraw/zinc/26/19/91/573261991.db2.gz ZWVHTZKEZUIGOV-UHFFFAOYSA-N 0 3 179.219 1.052 10 10 ADCEHN C[NH2+][C@@H](C)c1cc(F)cc(OC)c1[O-] 238326424 573262374 /nfs/dbraw/zinc/26/23/74/573262374.db2.gz AMYMNAUXQCDKRA-LURJTMIESA-N 0 3 199.225 1.820 10 10 ADCEHN C[NH2+][C@@H](C)c1cc(N)cc(F)c1[O-] 238327752 573267242 /nfs/dbraw/zinc/26/72/42/573267242.db2.gz PUDQQLQLCXSPDB-YFKPBYRVSA-N 0 3 184.214 1.394 10 10 ADCEHN C[NH2+][C@H]1Cc2cccc([O-])c21 257986681 573267743 /nfs/dbraw/zinc/26/77/43/573267743.db2.gz BLGXEUKLLSXTOR-ZETCQYMHSA-N 0 3 149.193 1.209 10 10 ADCEHN C[NH2+][C@H](C)c1c(C)ccc(OC)c1[O-] 238327742 573267882 /nfs/dbraw/zinc/26/78/82/573267882.db2.gz ISVVBKDLSRRDRD-MRVPVSSYSA-N 0 3 195.262 1.990 10 10 ADCEHN C[C@@H](CC[NH3+])c1ccc(F)c([O-])c1O 258275260 573268744 /nfs/dbraw/zinc/26/87/44/573268744.db2.gz ZMTKXCCEHWYXCC-LURJTMIESA-N 0 3 199.225 1.689 10 10 ADCEHN C[NH2+][C@@H]1Cc2cccc([O-])c21 257986676 573268980 /nfs/dbraw/zinc/26/89/80/573268980.db2.gz BLGXEUKLLSXTOR-SSDOTTSWSA-N 0 3 149.193 1.209 10 10 ADCEHN C[C@H](CC[NH3+])c1ccc(F)c([O-])c1O 258275262 573270011 /nfs/dbraw/zinc/27/00/11/573270011.db2.gz ZMTKXCCEHWYXCC-ZCFIWIBFSA-N 0 3 199.225 1.689 10 10 ADCEHN C[NH2+][C@H](C)c1c([O-])cc(C)cc1O 238328889 573272448 /nfs/dbraw/zinc/27/24/48/573272448.db2.gz KVDSPEWCGXUXEA-SSDOTTSWSA-N 0 3 181.235 1.687 10 10 ADCEHN C[C@]1(c2cccc(O)c2[O-])CCC[NH2+]1 257989351 573274940 /nfs/dbraw/zinc/27/49/40/573274940.db2.gz FMFLAJKDXWTEIV-LLVKDONJSA-N 0 3 193.246 1.696 10 10 ADCEHN CN(C)c1ccc2c(c1)C(=O)C[C@@H]2N 238330963 573275438 /nfs/dbraw/zinc/27/54/38/573275438.db2.gz OJCBBIAIJTVAHK-JTQLQIEISA-N 0 3 190.246 1.339 10 10 ADCEHN CN(C)c1ccc2c(c1)COC[C@@H]2N 238330987 573279775 /nfs/dbraw/zinc/27/97/75/573279775.db2.gz XDBIAHWPAJDRJV-NSHDSACASA-N 0 3 192.262 1.283 10 10 ADCEHN C[NH+](C)Cc1ccc(O)cc1[O-] 238331881 573282926 /nfs/dbraw/zinc/28/29/26/573282926.db2.gz BXEJRBYKIHFMMU-UHFFFAOYSA-N 0 3 167.208 1.159 10 10 ADCEHN COCc1ccc([O-])c(C2([NH3+])CC2)c1 238334968 573287468 /nfs/dbraw/zinc/28/74/68/573287468.db2.gz OCLXJQYEWNCKQS-UHFFFAOYSA-N 0 3 193.246 1.486 10 10 ADCEHN Cc1cc(C2([NH3+])CC2)c([O-])c(O)c1C 257993926 573290418 /nfs/dbraw/zinc/29/04/18/573290418.db2.gz FSCCIRNJYXSXLL-UHFFFAOYSA-N 0 3 193.246 1.662 10 10 ADCEHN [NH3+]CCCc1cc([O-])c(O)c(F)c1 257994110 573291246 /nfs/dbraw/zinc/29/12/46/573291246.db2.gz FWUDRUGAHCELPN-UHFFFAOYSA-N 0 3 185.198 1.128 10 10 ADCEHN CC(C)([NH3+])c1ccc2c(c1[O-])OCO2 257996705 573293369 /nfs/dbraw/zinc/29/33/69/573293369.db2.gz GCIQJGLMXZJUMB-UHFFFAOYSA-N 0 3 195.218 1.315 10 10 ADCEHN C[C@H]1CO[C@H](c2ccccc2[O-])[NH2+]1 258623362 573297316 /nfs/dbraw/zinc/29/73/16/573297316.db2.gz RIOYJZYLNOFTLW-OIBJUYFYSA-N 0 3 179.219 1.399 10 10 ADCEHN CCc1cc(O)c([O-])c([C@H](C)[NH3+])c1 238335561 573297515 /nfs/dbraw/zinc/29/75/15/573297515.db2.gz NHTAUMTZRLXROX-LURJTMIESA-N 0 3 181.235 1.680 10 10 ADCEHN C[C@@H]1CO[C@@H](c2ccccc2[O-])[NH2+]1 258623370 573300408 /nfs/dbraw/zinc/30/04/08/573300408.db2.gz RIOYJZYLNOFTLW-XCBNKYQSSA-N 0 3 179.219 1.399 10 10 ADCEHN COc1cc([C@H]2CC[NH2+]2)c([O-])cc1C 211648947 573305325 /nfs/dbraw/zinc/30/53/25/573305325.db2.gz GZYABYYOFCCTSR-SECBINFHSA-N 0 3 193.246 1.744 10 10 ADCEHN [O-]c1csc2c1CCC[NH2+]C2 106838540 573311249 /nfs/dbraw/zinc/31/12/49/573311249.db2.gz KIBMZPOSTKKNMX-UHFFFAOYSA-N 0 3 169.249 1.490 10 10 ADCEHN COc1cc(F)cc(C(C)(C)[NH3+])c1[O-] 238350904 573317844 /nfs/dbraw/zinc/31/78/44/573317844.db2.gz DCKDKBDGEBLHKR-UHFFFAOYSA-N 0 3 199.225 1.734 10 10 ADCEHN CC[N@H+](C)Cc1ccc(OC)cc1[O-] 132550293 573318266 /nfs/dbraw/zinc/31/82/66/573318266.db2.gz NBXDXLAJQFXUTQ-UHFFFAOYSA-N 0 3 195.262 1.853 10 10 ADCEHN CC[N@@H+](C)Cc1ccc(OC)cc1[O-] 132550293 573318271 /nfs/dbraw/zinc/31/82/71/573318271.db2.gz NBXDXLAJQFXUTQ-UHFFFAOYSA-N 0 3 195.262 1.853 10 10 ADCEHN CC[N@H+](C)Cc1cc(OC)ccc1[O-] 132543873 573322403 /nfs/dbraw/zinc/32/24/03/573322403.db2.gz KCFCPQDBCHMEPD-UHFFFAOYSA-N 0 3 195.262 1.853 10 10 ADCEHN CC[N@@H+](C)Cc1cc(OC)ccc1[O-] 132543873 573322411 /nfs/dbraw/zinc/32/24/11/573322411.db2.gz KCFCPQDBCHMEPD-UHFFFAOYSA-N 0 3 195.262 1.853 10 10 ADCEHN [NH3+]C/C=C/c1c(F)ccc(O)c1[O-] 258003868 573321079 /nfs/dbraw/zinc/32/10/79/573321079.db2.gz GTZXKXBPXUWEIG-OWOJBTEDSA-N 0 3 183.182 1.209 10 10 ADCEHN COC[C@H]([NH3+])c1c(C)cccc1[O-] 238356362 573342801 /nfs/dbraw/zinc/34/28/01/573342801.db2.gz FKFDZBMIYZTXCA-QMMMGPOBSA-N 0 3 181.235 1.347 10 10 ADCEHN CCCOc1ccc(C[NH3+])c([O-])c1 50273159 573343162 /nfs/dbraw/zinc/34/31/62/573343162.db2.gz JJEUMZACURDTKP-UHFFFAOYSA-N 0 3 181.235 1.640 10 10 ADCEHN COc1ccc(C)c(C2([NH3+])CC2)c1[O-] 214728560 573349267 /nfs/dbraw/zinc/34/92/67/573349267.db2.gz APJCDGDLCZKJCF-UHFFFAOYSA-N 0 3 193.246 1.657 10 10 ADCEHN [NH3+]C/C=C/c1ccc(O)c([O-])c1F 258006253 573351258 /nfs/dbraw/zinc/35/12/58/573351258.db2.gz HAZHSPBABMFDLS-OWOJBTEDSA-N 0 3 183.182 1.209 10 10 ADCEHN [NH3+][C@@H]1CCCNc2cccc([O-])c21 257794981 573360770 /nfs/dbraw/zinc/36/07/70/573360770.db2.gz BUSJSVDMKUGDLQ-SSDOTTSWSA-N 0 3 178.235 1.598 10 10 ADCEHN [NH3+][C@H]1CCCNc2cccc([O-])c21 257794983 573359848 /nfs/dbraw/zinc/35/98/48/573359848.db2.gz BUSJSVDMKUGDLQ-ZETCQYMHSA-N 0 3 178.235 1.598 10 10 ADCEHN C[NH2+][C@@H](CO)c1cc(F)c(C)cc1[O-] 238361926 573362305 /nfs/dbraw/zinc/36/23/05/573362305.db2.gz DIKMLFAEUDIQNB-VIFPVBQESA-N 0 3 199.225 1.093 10 10 ADCEHN COc1ccc(C)c(C(C)(C)[NH3+])c1[O-] 238361664 573362999 /nfs/dbraw/zinc/36/29/99/573362999.db2.gz OPNRHUNEPIDTNN-UHFFFAOYSA-N 0 3 195.262 1.903 10 10 ADCEHN COC[C@@H]([NH3+])c1cccc(C)c1[O-] 238380321 573367152 /nfs/dbraw/zinc/36/71/52/573367152.db2.gz AAATUCCVJXQTGH-SECBINFHSA-N 0 3 181.235 1.347 10 10 ADCEHN COc1cc([O-])c2c(c1)OCC[C@H]2[NH3+] 238372721 573377620 /nfs/dbraw/zinc/37/76/20/573377620.db2.gz MAGVJGXOZZQPNJ-SSDOTTSWSA-N 0 3 195.218 1.183 10 10 ADCEHN [O-]c1cc([C@@H]2CC[NH2+]C2)cc(F)c1O 258016852 573378429 /nfs/dbraw/zinc/37/84/29/573378429.db2.gz HWJZOHHHHIVXME-ZCFIWIBFSA-N 0 3 197.209 1.314 10 10 ADCEHN COc1cc([O-])c2c(c1)CCC[C@H]2[NH3+] 238372700 573380533 /nfs/dbraw/zinc/38/05/33/573380533.db2.gz BBONTLFPDVKCAJ-SECBINFHSA-N 0 3 193.246 1.737 10 10 ADCEHN COc1cc([O-])c2c(c1)CC[C@@H]2[NH3+] 238372593 573380486 /nfs/dbraw/zinc/38/04/86/573380486.db2.gz VPUSYVRKMNDASQ-QMMMGPOBSA-N 0 3 179.219 1.347 10 10 ADCEHN C[C@H]([NH3+])c1cc(N)cc(F)c1[O-] 211717960 573382655 /nfs/dbraw/zinc/38/26/55/573382655.db2.gz CKWDMWGNZVWGDL-BYPYZUCNSA-N 0 3 170.187 1.133 10 10 ADCEHN COc1cc(C)cc([O-])c1C1([NH3+])CC1 238375109 573385170 /nfs/dbraw/zinc/38/51/70/573385170.db2.gz CLDJWGSUYPIEMB-UHFFFAOYSA-N 0 3 193.246 1.657 10 10 ADCEHN COc1cc(C)cc([O-])c1C(C)(C)[NH3+] 238375034 573384647 /nfs/dbraw/zinc/38/46/47/573384647.db2.gz CVTAEANKCFLDRB-UHFFFAOYSA-N 0 3 195.262 1.903 10 10 ADCEHN COC[C@@H]([NH3+])c1c(C)cc(C)cc1[O-] 238375019 573384861 /nfs/dbraw/zinc/38/48/61/573384861.db2.gz IICMHEKMAOZKFD-SECBINFHSA-N 0 3 195.262 1.655 10 10 ADCEHN COc1cc(C)cc([O-])c1[C@H](C)[NH3+] 211724090 573387359 /nfs/dbraw/zinc/38/73/59/573387359.db2.gz LRDYKGXBOJKWEH-ZETCQYMHSA-N 0 3 181.235 1.729 10 10 ADCEHN [NH3+][C@H]1CCOc2cccc([O-])c21 107160554 573387397 /nfs/dbraw/zinc/38/73/97/573387397.db2.gz NJFPPJLVHCNRGC-LURJTMIESA-N 0 3 165.192 1.175 10 10 ADCEHN CN1CCC[C@@H]([NH3+])c2c([O-])cccc21 257804644 573389722 /nfs/dbraw/zinc/38/97/22/573389722.db2.gz SZONECAEGPYZRD-MRVPVSSYSA-N 0 3 192.262 1.622 10 10 ADCEHN COc1ccc(O)c([C@H](C)[NH3+])c1[O-] 238379630 573391270 /nfs/dbraw/zinc/39/12/70/573391270.db2.gz MDFBZTPMRGKWGP-YFKPBYRVSA-N 0 3 183.207 1.126 10 10 ADCEHN COc1ccc([O-])c([C@H](C)[NH3+])c1O 238379630 573391277 /nfs/dbraw/zinc/39/12/77/573391277.db2.gz MDFBZTPMRGKWGP-YFKPBYRVSA-N 0 3 183.207 1.126 10 10 ADCEHN COc1ccc(O)c([C@@H](C)[NH3+])c1[O-] 238378971 573391774 /nfs/dbraw/zinc/39/17/74/573391774.db2.gz MDFBZTPMRGKWGP-RXMQYKEDSA-N 0 3 183.207 1.126 10 10 ADCEHN COc1ccc([O-])c([C@@H](C)[NH3+])c1O 238378971 573391780 /nfs/dbraw/zinc/39/17/80/573391780.db2.gz MDFBZTPMRGKWGP-RXMQYKEDSA-N 0 3 183.207 1.126 10 10 ADCEHN C[C@@]([NH3+])(c1ccccc1[O-])C1CC1 107165801 573394481 /nfs/dbraw/zinc/39/44/81/573394481.db2.gz LONPSBKRXIZVOT-NSHDSACASA-N 0 3 177.247 1.976 10 10 ADCEHN COC[C@@H]1[NH2+]CCc2cccc([O-])c21 257810057 573400700 /nfs/dbraw/zinc/40/07/00/573400700.db2.gz ABFSKXPHRMZIAV-VIFPVBQESA-N 0 3 193.246 1.225 10 10 ADCEHN CCC[C@H]([NH3+])c1c(F)ccc(N)c1[O-] 211732949 573400703 /nfs/dbraw/zinc/40/07/03/573400703.db2.gz UNQSMMLSPFCJSQ-ZETCQYMHSA-N 0 3 198.241 1.913 10 10 ADCEHN [NH3+][C@@H]1CCSc2cccc([O-])c21 107169773 573400767 /nfs/dbraw/zinc/40/07/67/573400767.db2.gz AWJPWXFYVWPJID-ZCFIWIBFSA-N 0 3 181.260 1.888 10 10 ADCEHN CC[C@H]([NH3+])c1cc(N)c(F)cc1[O-] 211735077 573400860 /nfs/dbraw/zinc/40/08/60/573400860.db2.gz RVBYBUZBDHKBOA-ZETCQYMHSA-N 0 3 184.214 1.523 10 10 ADCEHN C[NH2+][C@@H](C)c1cccc(OC)c1[O-] 107169267 573400934 /nfs/dbraw/zinc/40/09/34/573400934.db2.gz UDIIVLAITWMLSN-ZETCQYMHSA-N 0 3 181.235 1.681 10 10 ADCEHN COc1ccc([O-])c2c1OCC[C@H]2[NH3+] 238381523 573413335 /nfs/dbraw/zinc/41/33/35/573413335.db2.gz HDRLONKNXHTIAX-ZCFIWIBFSA-N 0 3 195.218 1.183 10 10 ADCEHN COc1ccc([O-])c2c1CCC[C@H]2[NH3+] 238381502 573413353 /nfs/dbraw/zinc/41/33/53/573413353.db2.gz CYEQKLYYWHJSIN-MRVPVSSYSA-N 0 3 193.246 1.737 10 10 ADCEHN COc1ccc([O-])c2c1CC[C@@H]2[NH3+] 238381379 573413530 /nfs/dbraw/zinc/41/35/30/573413530.db2.gz OUGMQRACGCNPOE-ZETCQYMHSA-N 0 3 179.219 1.347 10 10 ADCEHN COc1ccc([O-])c2c1CCC[C@@H]2[NH3+] 238381328 573413634 /nfs/dbraw/zinc/41/36/34/573413634.db2.gz CYEQKLYYWHJSIN-QMMMGPOBSA-N 0 3 193.246 1.737 10 10 ADCEHN COc1cccc([O-])c1C(C)(C)[NH3+] 238381409 573413744 /nfs/dbraw/zinc/41/37/44/573413744.db2.gz RFKOTHBUCRSZAX-UHFFFAOYSA-N 0 3 181.235 1.595 10 10 ADCEHN COc1ccc([O-])c2c1OCC[C@@H]2[NH3+] 238381356 573413759 /nfs/dbraw/zinc/41/37/59/573413759.db2.gz HDRLONKNXHTIAX-LURJTMIESA-N 0 3 195.218 1.183 10 10 ADCEHN COc1ccc([O-])c2c1CC[C@H]2[NH3+] 238381542 573414178 /nfs/dbraw/zinc/41/41/78/573414178.db2.gz OUGMQRACGCNPOE-SSDOTTSWSA-N 0 3 179.219 1.347 10 10 ADCEHN CCC[C@@H](O)[C@H]([NH3+])c1ccccc1[O-] 308579979 573418136 /nfs/dbraw/zinc/41/81/36/573418136.db2.gz JINCWGMBBPJIAR-GHMZBOCLSA-N 0 3 195.262 1.553 10 10 ADCEHN COc1cc(C2([NH3+])CC2)c([O-])cc1C 258027667 573425776 /nfs/dbraw/zinc/42/57/76/573425776.db2.gz IRWUAGOQWKPJFH-UHFFFAOYSA-N 0 3 193.246 1.657 10 10 ADCEHN Cc1cc([O-])c([C@H]2CCC[NH2+]2)cc1O 258027789 573428245 /nfs/dbraw/zinc/42/82/45/573428245.db2.gz IUVGUYHNLKYZBZ-SECBINFHSA-N 0 3 193.246 1.831 10 10 ADCEHN COc1cc([O-])c([C@H](C)[NH3+])cc1O 238393546 573428546 /nfs/dbraw/zinc/42/85/46/573428546.db2.gz ATNGMGZLXMRURY-YFKPBYRVSA-N 0 3 183.207 1.126 10 10 ADCEHN COc1cc([O-])c([C@@H](C)[NH3+])cc1O 238393301 573428813 /nfs/dbraw/zinc/42/88/13/573428813.db2.gz ATNGMGZLXMRURY-RXMQYKEDSA-N 0 3 183.207 1.126 10 10 ADCEHN Cc1cc([O-])c([C@@H]2CCC[NH2+]2)cc1O 258027791 573429300 /nfs/dbraw/zinc/42/93/00/573429300.db2.gz IUVGUYHNLKYZBZ-VIFPVBQESA-N 0 3 193.246 1.831 10 10 ADCEHN C[C@@H](C[NH3+])c1cc([O-])c(O)c(F)c1 258030196 573429619 /nfs/dbraw/zinc/42/96/19/573429619.db2.gz IWKGRUKJQDUHRE-YFKPBYRVSA-N 0 3 185.198 1.299 10 10 ADCEHN C[NH+](C)[C@@H]1CCOc2cccc([O-])c21 257812309 573431767 /nfs/dbraw/zinc/43/17/67/573431767.db2.gz BRJHJLUQEIRICI-MRVPVSSYSA-N 0 3 193.246 1.777 10 10 ADCEHN C[NH2+][C@H]1CCNc2cccc([O-])c21 257812060 573432601 /nfs/dbraw/zinc/43/26/01/573432601.db2.gz BKXFBSOZTCHHMG-ZETCQYMHSA-N 0 3 178.235 1.468 10 10 ADCEHN C[C@@]1(c2ccccc2[O-])CC[NH2+]1 258345010 573437736 /nfs/dbraw/zinc/43/77/36/573437736.db2.gz VQNYRSDWJFEOJW-JTQLQIEISA-N 0 3 163.220 1.601 10 10 ADCEHN [O-]c1cc([C@H]2CCC[NH2+]2)cc(F)c1O 258021704 573438824 /nfs/dbraw/zinc/43/88/24/573438824.db2.gz IHPITRHSPJYSOM-MRVPVSSYSA-N 0 3 197.209 1.661 10 10 ADCEHN [O-]c1c(O)cc([C@H]2CCC[NH2+]2)cc1F 258021704 573438827 /nfs/dbraw/zinc/43/88/27/573438827.db2.gz IHPITRHSPJYSOM-MRVPVSSYSA-N 0 3 197.209 1.661 10 10 ADCEHN C[NH+](C)[C@@H]1CCNc2cccc([O-])c21 257813304 573438868 /nfs/dbraw/zinc/43/88/68/573438868.db2.gz CBPWGJSNMPMREL-SECBINFHSA-N 0 3 192.262 1.811 10 10 ADCEHN [O-]c1ccccc1[C@@]12CC[C@@H](C[NH2+]1)C2 258020618 573439168 /nfs/dbraw/zinc/43/91/68/573439168.db2.gz FRLRQDJEYKQBGM-SKDRFNHKSA-N 0 3 189.258 1.991 10 10 ADCEHN COc1ccc([C@@H](C)[NH3+])c([O-])c1O 238397071 573442902 /nfs/dbraw/zinc/44/29/02/573442902.db2.gz LDPLXWVEUNLBKP-RXMQYKEDSA-N 0 3 183.207 1.126 10 10 ADCEHN COc1ccc2c(c1[O-])[C@@H]([NH3+])CCC2 238398316 573448648 /nfs/dbraw/zinc/44/86/48/573448648.db2.gz ZYFFVMYFUITRRQ-QMMMGPOBSA-N 0 3 193.246 1.737 10 10 ADCEHN C[NH2+][C@@H](CO)c1ccc(C)c(C)c1[O-] 211763557 573450331 /nfs/dbraw/zinc/45/03/31/573450331.db2.gz PEGRXUSRLXMGDX-JTQLQIEISA-N 0 3 195.262 1.262 10 10 ADCEHN [O-]c1ccccc1[C@@]12CC[C@@H](C1)[NH2+]2 258347093 573451093 /nfs/dbraw/zinc/45/10/93/573451093.db2.gz VULXJBWTOWDEHG-GZMMTYOYSA-N 0 3 175.231 1.743 10 10 ADCEHN [NH3+]C1(c2ccc3c(c2[O-])CCC3)CC1 258033250 573463273 /nfs/dbraw/zinc/46/32/73/573463273.db2.gz JCTXVUYKUUIZLF-UHFFFAOYSA-N 0 3 189.258 1.829 10 10 ADCEHN CN[C@@H](C)c1cc(O)c(O)c(O)c1 211790262 573463309 /nfs/dbraw/zinc/46/33/09/573463309.db2.gz UNDYXWLSMSTSHS-YFKPBYRVSA-N 0 3 183.207 1.084 10 10 ADCEHN Cc1cc(C(C)(C)[NH3+])c(F)c([O-])c1O 258037378 573466832 /nfs/dbraw/zinc/46/68/32/573466832.db2.gz FUDDGQJTSRTGST-UHFFFAOYSA-N 0 3 199.225 1.739 10 10 ADCEHN COC[C@@H]1C[NH2+]Cc2c([O-])cccc21 257818320 573476399 /nfs/dbraw/zinc/47/63/99/573476399.db2.gz FCQNDMOGTDSHQB-QMMMGPOBSA-N 0 3 193.246 1.225 10 10 ADCEHN COC[C@H]1C[NH2+]Cc2c([O-])cccc21 257818319 573477055 /nfs/dbraw/zinc/47/70/55/573477055.db2.gz FCQNDMOGTDSHQB-MRVPVSSYSA-N 0 3 193.246 1.225 10 10 ADCEHN C[NH2+][C@@H](C)c1ccc(N(C)C)cc1[O-] 86569692 573489396 /nfs/dbraw/zinc/48/93/96/573489396.db2.gz HKQHPSSVSCKZPT-QMMMGPOBSA-N 0 3 194.278 1.739 10 10 ADCEHN Cc1cc([C@H](C)[NH3+])c([O-])c(O)c1C 238416400 573487075 /nfs/dbraw/zinc/48/70/75/573487075.db2.gz VBMVKYSAGWFKTP-ZETCQYMHSA-N 0 3 181.235 1.734 10 10 ADCEHN Cc1cc([O-])c([C@H]([NH3+])[C@@H](C)O)cc1F 238416642 573488604 /nfs/dbraw/zinc/48/86/04/573488604.db2.gz GFGUONWHLPBQKX-LHLIQPBNSA-N 0 3 199.225 1.220 10 10 ADCEHN CCN(C)c1ccc([C@@H](C)[NH3+])c([O-])c1 86569698 573490501 /nfs/dbraw/zinc/49/05/01/573490501.db2.gz PYLQKAPMUKWNSH-MRVPVSSYSA-N 0 3 194.278 1.868 10 10 ADCEHN Cc1cc(O)c([O-])c([C@H](C)[NH3+])c1 238416875 573489820 /nfs/dbraw/zinc/48/98/20/573489820.db2.gz NIMIWSPUQONIJV-LURJTMIESA-N 0 3 167.208 1.426 10 10 ADCEHN [NH3+]C1(c2cccc(O)c2[O-])CCC1 258039705 573489845 /nfs/dbraw/zinc/48/98/45/573489845.db2.gz QATDQABBUFOOKU-UHFFFAOYSA-N 0 3 179.219 1.436 10 10 ADCEHN C[C@H]([NH3+])c1ccc(N(C)C)cc1[O-] 86569690 573491645 /nfs/dbraw/zinc/49/16/45/573491645.db2.gz RSVJMGOZSIHYJO-ZETCQYMHSA-N 0 3 180.251 1.478 10 10 ADCEHN [NH3+]CCCCc1cc([O-])c(O)c(F)c1 258040815 573491836 /nfs/dbraw/zinc/49/18/36/573491836.db2.gz GBGCNPMDGNHABP-UHFFFAOYSA-N 0 3 199.225 1.518 10 10 ADCEHN C[C@H]([NH3+])c1cc(Cl)c(O)cc1[O-] 238417943 573498586 /nfs/dbraw/zinc/49/85/86/573498586.db2.gz VYGJLVASTCVAMH-BYPYZUCNSA-N 0 3 187.626 1.771 10 10 ADCEHN CSc1ccc([O-])c2c1OC[C@H]2[NH3+] 238418368 573501448 /nfs/dbraw/zinc/50/14/48/573501448.db2.gz KJUYNAIWGWPESF-RXMQYKEDSA-N 0 3 197.259 1.506 10 10 ADCEHN CSc1ccc([O-])c2c1OC[C@@H]2[NH3+] 238418292 573502818 /nfs/dbraw/zinc/50/28/18/573502818.db2.gz KJUYNAIWGWPESF-YFKPBYRVSA-N 0 3 197.259 1.506 10 10 ADCEHN Cc1cc([C@@H](C)[NH3+])c([O-])c(O)c1C 238418552 573502550 /nfs/dbraw/zinc/50/25/50/573502550.db2.gz VBMVKYSAGWFKTP-SSDOTTSWSA-N 0 3 181.235 1.734 10 10 ADCEHN Cc1cc(O)c([O-])c([C@@H](C)[NH3+])c1 238418945 573504728 /nfs/dbraw/zinc/50/47/28/573504728.db2.gz NIMIWSPUQONIJV-ZCFIWIBFSA-N 0 3 167.208 1.426 10 10 ADCEHN C[C@H]([NH3+])c1cc(F)cc(O)c1[O-] 238420050 573503933 /nfs/dbraw/zinc/50/39/33/573503933.db2.gz KLCZYLJPZIKMJH-BYPYZUCNSA-N 0 3 171.171 1.257 10 10 ADCEHN C[C@H]([NH3+])c1cc(F)cc([O-])c1O 238420050 573503938 /nfs/dbraw/zinc/50/39/38/573503938.db2.gz KLCZYLJPZIKMJH-BYPYZUCNSA-N 0 3 171.171 1.257 10 10 ADCEHN C[C@@H]([NH3+])c1cc(Cl)c(N)cc1[O-] 238419991 573505888 /nfs/dbraw/zinc/50/58/88/573505888.db2.gz BPBYOWJEOXIABF-SCSAIBSYSA-N 0 3 186.642 1.648 10 10 ADCEHN C[C@@H]([NH3+])c1cc(Cl)c(O)cc1[O-] 238420013 573507469 /nfs/dbraw/zinc/50/74/69/573507469.db2.gz VYGJLVASTCVAMH-SCSAIBSYSA-N 0 3 187.626 1.771 10 10 ADCEHN C[C@@H]([NH3+])c1cc(Cl)cc(N)c1[O-] 238420281 573511084 /nfs/dbraw/zinc/51/10/84/573511084.db2.gz XAHZLSYMDNMBHX-SCSAIBSYSA-N 0 3 186.642 1.648 10 10 ADCEHN C[C@H]([NH3+])c1cc([O-])cs1 238423336 573513139 /nfs/dbraw/zinc/51/31/39/573513139.db2.gz PTEDCGOFYFMPLE-BYPYZUCNSA-N 0 3 143.211 1.473 10 10 ADCEHN COC[C@H]1Cc2cccc([O-])c2C[NH2+]1 257823769 573513477 /nfs/dbraw/zinc/51/34/77/573513477.db2.gz GRGXOWDYZPJIGO-SECBINFHSA-N 0 3 193.246 1.053 10 10 ADCEHN C[C@@H]([NH3+])c1cc(F)cc(O)c1[O-] 238422261 573516019 /nfs/dbraw/zinc/51/60/19/573516019.db2.gz KLCZYLJPZIKMJH-SCSAIBSYSA-N 0 3 171.171 1.257 10 10 ADCEHN C[C@@H]([NH3+])c1cc(F)cc([O-])c1O 238422261 573516029 /nfs/dbraw/zinc/51/60/29/573516029.db2.gz KLCZYLJPZIKMJH-SCSAIBSYSA-N 0 3 171.171 1.257 10 10 ADCEHN Cc1cc([O-])c([C@H](C)[NH3+])cc1O 238422851 573516345 /nfs/dbraw/zinc/51/63/45/573516345.db2.gz HIQOMUWVXDEFCK-LURJTMIESA-N 0 3 167.208 1.426 10 10 ADCEHN C[C@@H]([NH3+])c1cc(N)c(Cl)cc1[O-] 238424499 573516956 /nfs/dbraw/zinc/51/69/56/573516956.db2.gz RNZDJVDZMLHDGD-SCSAIBSYSA-N 0 3 186.642 1.648 10 10 ADCEHN Cc1cc([O-])c([C@@H](C)[NH3+])cc1O 238424908 573524597 /nfs/dbraw/zinc/52/45/97/573524597.db2.gz HIQOMUWVXDEFCK-ZCFIWIBFSA-N 0 3 167.208 1.426 10 10 ADCEHN C[NH2+]Cc1ccc(C)c(C)c1[O-] 107329020 573524778 /nfs/dbraw/zinc/52/47/78/573524778.db2.gz FBSDMKZTYZTTIR-UHFFFAOYSA-N 0 3 165.236 1.728 10 10 ADCEHN COC[C@@H]1C[NH2+][C@H]1c1ccccc1[O-] 257827105 573524867 /nfs/dbraw/zinc/52/48/67/573524867.db2.gz HUMCDXQFDQCQFM-GZMMTYOYSA-N 0 3 193.246 1.299 10 10 ADCEHN COC[C@H]1C[NH2+][C@@H]1c1ccccc1[O-] 257827106 573525478 /nfs/dbraw/zinc/52/54/78/573525478.db2.gz HUMCDXQFDQCQFM-KCJUWKMLSA-N 0 3 193.246 1.299 10 10 ADCEHN CCc1cccc(C[NH2+]C)c1[O-] 107329024 573525551 /nfs/dbraw/zinc/52/55/51/573525551.db2.gz YBDOYPHXXLMYCT-UHFFFAOYSA-N 0 3 165.236 1.674 10 10 ADCEHN COC[C@H]1C[NH2+][C@H]1c1ccccc1[O-] 257827108 573525892 /nfs/dbraw/zinc/52/58/92/573525892.db2.gz HUMCDXQFDQCQFM-LDYMZIIASA-N 0 3 193.246 1.299 10 10 ADCEHN CO[C@@H]1CC[NH2+][C@H]1c1ccccc1[O-] 257828058 573527373 /nfs/dbraw/zinc/52/73/73/573527373.db2.gz IFMHTLYLSLMLLT-MNOVXSKESA-N 0 3 193.246 1.442 10 10 ADCEHN C[NH2+]Cc1cc(F)cc(C)c1[O-] 107331737 573527767 /nfs/dbraw/zinc/52/77/67/573527767.db2.gz MZULBJKWEAWTPL-UHFFFAOYSA-N 0 3 169.199 1.559 10 10 ADCEHN CO[C@H]1CC[NH2+][C@@H]1c1ccccc1[O-] 257828060 573527853 /nfs/dbraw/zinc/52/78/53/573527853.db2.gz IFMHTLYLSLMLLT-WDEREUQCSA-N 0 3 193.246 1.442 10 10 ADCEHN CO[C@H]1CC[NH2+][C@H]1c1ccccc1[O-] 257828059 573528749 /nfs/dbraw/zinc/52/87/49/573528749.db2.gz IFMHTLYLSLMLLT-QWRGUYRKSA-N 0 3 193.246 1.442 10 10 ADCEHN CO[C@@H]1CC[NH2+][C@@H]1c1ccccc1[O-] 257828057 573529045 /nfs/dbraw/zinc/52/90/45/573529045.db2.gz IFMHTLYLSLMLLT-GHMZBOCLSA-N 0 3 193.246 1.442 10 10 ADCEHN COc1ccc(C)c([O-])c1[C@@H](C)[NH3+] 258058283 573529389 /nfs/dbraw/zinc/52/93/89/573529389.db2.gz SHWUQRIJUMTZOQ-SSDOTTSWSA-N 0 3 181.235 1.729 10 10 ADCEHN [O-]c1c(O)ccc2c1C[NH2+]C21CC1 257828187 573532958 /nfs/dbraw/zinc/53/29/58/573532958.db2.gz IHIKLQMTZNHWBM-UHFFFAOYSA-N 0 3 177.203 1.190 10 10 ADCEHN COc1c(O)ccc([O-])c1[C@@H](C)[NH3+] 238435401 573540542 /nfs/dbraw/zinc/54/05/42/573540542.db2.gz QURLPYJHOFSZFG-RXMQYKEDSA-N 0 3 183.207 1.126 10 10 ADCEHN COc1c(O)cc([O-])c2c1CC[C@@H]2[NH3+] 238434813 573543663 /nfs/dbraw/zinc/54/36/63/573543663.db2.gz XPBORBFQTXLPHF-LURJTMIESA-N 0 3 195.218 1.052 10 10 ADCEHN CC(C)[C@@H](O)[C@@H]([NH3+])c1ccccc1[O-] 95645365 573547788 /nfs/dbraw/zinc/54/77/88/573547788.db2.gz KEPGTACUZNSALI-WDEREUQCSA-N 0 3 195.262 1.409 10 10 ADCEHN C=Cc1ccc([O-])c([C@](C)([NH3+])CO)c1 238437528 573552282 /nfs/dbraw/zinc/55/22/82/573552282.db2.gz WYNJXDNNCQQQKT-LLVKDONJSA-N 0 3 193.246 1.201 10 10 ADCEHN CNCc1cc(O)c(O)cc1C 257830042 573554171 /nfs/dbraw/zinc/55/41/71/573554171.db2.gz JDDDAVKNOXUEBB-UHFFFAOYSA-N 0 3 167.208 1.126 10 10 ADCEHN CC(C)([NH3+])Cc1ccc(O)c([O-])c1F 258061565 573558525 /nfs/dbraw/zinc/55/85/25/573558525.db2.gz HMTGPDSFUMZMHN-UHFFFAOYSA-N 0 3 199.225 1.517 10 10 ADCEHN COc1cccc([O-])c1C[NH2+]C(C)C 308633509 573566202 /nfs/dbraw/zinc/56/62/02/573566202.db2.gz AAZPBYXWUOMSGW-UHFFFAOYSA-N 0 3 195.262 1.899 10 10 ADCEHN COc1ccc(C)c([C@H]2CC[NH2+]2)c1[O-] 95784541 573569350 /nfs/dbraw/zinc/56/93/50/573569350.db2.gz PMNKIOXONVMBNG-MRVPVSSYSA-N 0 3 193.246 1.744 10 10 ADCEHN C[C@H]1C[NH2+][C@](C)(c2ccccc2[O-])O1 238445620 573578297 /nfs/dbraw/zinc/57/82/97/573578297.db2.gz PQYCAMIXFUDNRW-KWQFWETISA-N 0 3 193.246 1.573 10 10 ADCEHN C[C@H]1CO[C@](C)(c2ccccc2[O-])[NH2+]1 258503120 573580189 /nfs/dbraw/zinc/58/01/89/573580189.db2.gz MFKUJYCFJLXPBP-GZMMTYOYSA-N 0 3 193.246 1.573 10 10 ADCEHN Nc1ccc(CN2CC3(CC3)C2)cc1 86687974 573580624 /nfs/dbraw/zinc/58/06/24/573580624.db2.gz DGMZAMRDAFKKSS-UHFFFAOYSA-N 0 3 188.274 1.865 10 10 ADCEHN C[C@H]1CCN1Cc1ccc(N)cc1 86687977 573580645 /nfs/dbraw/zinc/58/06/45/573580645.db2.gz PGXSTZYHPQCXMT-VIFPVBQESA-N 0 3 176.263 1.863 10 10 ADCEHN C[C@@H]1CCN1Cc1ccc(N)cc1 86687976 573580894 /nfs/dbraw/zinc/58/08/94/573580894.db2.gz PGXSTZYHPQCXMT-SECBINFHSA-N 0 3 176.263 1.863 10 10 ADCEHN C[C@H]1C[NH2+][C@@](C)(c2ccccc2[O-])O1 238443788 573589816 /nfs/dbraw/zinc/58/98/16/573589816.db2.gz PQYCAMIXFUDNRW-GZMMTYOYSA-N 0 3 193.246 1.573 10 10 ADCEHN Cc1ccc(C)c([C@@H]([NH3+])CF)c1[O-] 238455556 573594932 /nfs/dbraw/zinc/59/49/32/573594932.db2.gz QBKJUZPRIZKDJG-QMMMGPOBSA-N 0 3 183.226 1.978 10 10 ADCEHN Cc1ccc(C)c([C@@H](N)CF)c1O 238455556 573594938 /nfs/dbraw/zinc/59/49/38/573594938.db2.gz QBKJUZPRIZKDJG-QMMMGPOBSA-N 0 3 183.226 1.978 10 10 ADCEHN Cc1ccc(C)c([C@H]([NH3+])CF)c1[O-] 238456089 573596589 /nfs/dbraw/zinc/59/65/89/573596589.db2.gz QBKJUZPRIZKDJG-MRVPVSSYSA-N 0 3 183.226 1.978 10 10 ADCEHN Cc1ccc(C)c([C@H](N)CF)c1O 238456089 573596598 /nfs/dbraw/zinc/59/65/98/573596598.db2.gz QBKJUZPRIZKDJG-MRVPVSSYSA-N 0 3 183.226 1.978 10 10 ADCEHN C[C@@H]1C[NH2+][C@](C)(c2ccccc2[O-])O1 238456982 573599042 /nfs/dbraw/zinc/59/90/42/573599042.db2.gz PQYCAMIXFUDNRW-KCJUWKMLSA-N 0 3 193.246 1.573 10 10 ADCEHN Cc1cc([O-])c(C[NH3+])cc1F 211958103 573615583 /nfs/dbraw/zinc/61/55/83/573615583.db2.gz GCJZLZQHVXTGPC-UHFFFAOYSA-N 0 3 155.172 1.298 10 10 ADCEHN CC1CC([NH3+])(c2ccccc2[O-])C1 259530648 573618728 /nfs/dbraw/zinc/61/87/28/573618728.db2.gz BCKKXHQNKDRMSM-UHFFFAOYSA-N 0 3 177.247 1.976 10 10 ADCEHN Cc1cc([O-])c([C@@H]([NH3+])[C@@H](C)O)cc1F 238453660 573626224 /nfs/dbraw/zinc/62/62/24/573626224.db2.gz GFGUONWHLPBQKX-LDWIPMOCSA-N 0 3 199.225 1.220 10 10 ADCEHN C=Cc1ccc([O-])c([C@@H]([NH3+])[C@@H](C)O)c1 238453128 573627854 /nfs/dbraw/zinc/62/78/54/573627854.db2.gz CHTZHNYVQJACKT-HQJQHLMTSA-N 0 3 193.246 1.416 10 10 ADCEHN Cc1ccc([O-])c2c1OCC[C@@H]2[NH3+] 238459086 573631335 /nfs/dbraw/zinc/63/13/35/573631335.db2.gz QJEXUXMJHQIQFF-ZETCQYMHSA-N 0 3 179.219 1.483 10 10 ADCEHN C[NH2+]Cc1ccc(O)c(C)c1[O-] 211974952 573633046 /nfs/dbraw/zinc/63/30/46/573633046.db2.gz AMCOTEDSGULNQM-UHFFFAOYSA-N 0 3 167.208 1.126 10 10 ADCEHN Cc1ccc([O-])c2c1OC[C@H]2[NH3+] 238459195 573633411 /nfs/dbraw/zinc/63/34/11/573633411.db2.gz AMNZVQATCMOPFF-ZCFIWIBFSA-N 0 3 165.192 1.093 10 10 ADCEHN Cc1ccc([O-])c2c1OCC[C@H]2[NH3+] 238459163 573633436 /nfs/dbraw/zinc/63/34/36/573633436.db2.gz QJEXUXMJHQIQFF-SSDOTTSWSA-N 0 3 179.219 1.483 10 10 ADCEHN CNC[C@@](C)(F)c1ccc(O)c(O)c1 257834783 573633828 /nfs/dbraw/zinc/63/38/28/573633828.db2.gz LMFFKIJWBPIXES-SNVBAGLBSA-N 0 3 199.225 1.502 10 10 ADCEHN COCNCc1ccc(OC)c(C)c1 259145246 573635679 /nfs/dbraw/zinc/63/56/79/573635679.db2.gz RUMQFLPGEMWSSN-UHFFFAOYSA-N 0 3 195.262 1.697 10 10 ADCEHN CNC[C@](C)(F)c1ccc(O)c(O)c1 257834782 573636706 /nfs/dbraw/zinc/63/67/06/573636706.db2.gz LMFFKIJWBPIXES-JTQLQIEISA-N 0 3 199.225 1.502 10 10 ADCEHN NC[C@@H]([NH2+]C1CC1)c1ccccc1[O-] 257839269 573642794 /nfs/dbraw/zinc/64/27/94/573642794.db2.gz LOLMTGQACVKORM-SNVBAGLBSA-N 0 3 192.262 1.144 10 10 ADCEHN [NH3+]C1(c2ccccc2[O-])CC(F)(F)C1 257839395 573642218 /nfs/dbraw/zinc/64/22/18/573642218.db2.gz JMHPUSZMWGOIBQ-UHFFFAOYSA-N 0 3 199.200 1.975 10 10 ADCEHN COc1ccc(C)c([O-])c1C(C)(C)[NH3+] 258080617 573652301 /nfs/dbraw/zinc/65/23/01/573652301.db2.gz MZJXKDRZVDYKLZ-UHFFFAOYSA-N 0 3 195.262 1.903 10 10 ADCEHN C[C@@H]1CO[C@@](C)(c2ccccc2[O-])[NH2+]1 258505419 573653930 /nfs/dbraw/zinc/65/39/30/573653930.db2.gz MFKUJYCFJLXPBP-KCJUWKMLSA-N 0 3 193.246 1.573 10 10 ADCEHN C[C@H]1CO[C@@](C)(c2ccccc2[O-])[NH2+]1 258505421 573654369 /nfs/dbraw/zinc/65/43/69/573654369.db2.gz MFKUJYCFJLXPBP-KWQFWETISA-N 0 3 193.246 1.573 10 10 ADCEHN C[C@H](CC[NH3+])c1ccc(O)c([O-])c1F 258084454 573662175 /nfs/dbraw/zinc/66/21/75/573662175.db2.gz JFVTYHSIJVJHGW-ZCFIWIBFSA-N 0 3 199.225 1.689 10 10 ADCEHN COc1ccc([O-])c(C(C)(C)[NH3+])c1 258084390 573665016 /nfs/dbraw/zinc/66/50/16/573665016.db2.gz VYATWXQMOJMYDT-UHFFFAOYSA-N 0 3 181.235 1.595 10 10 ADCEHN Cc1cc([O-])c([C@@](C)([NH3+])CO)cc1F 238474707 573666634 /nfs/dbraw/zinc/66/66/34/573666634.db2.gz UNBSMCFUDOASHO-JTQLQIEISA-N 0 3 199.225 1.006 10 10 ADCEHN CC(C)[NH2+][C@@H](CN)c1ccccc1[O-] 257843899 573666760 /nfs/dbraw/zinc/66/67/60/573666760.db2.gz MZVXJZNLNWFZNI-JTQLQIEISA-N 0 3 194.278 1.390 10 10 ADCEHN CCc1cc(CNCO)ccc1OC 258855721 573670158 /nfs/dbraw/zinc/67/01/58/573670158.db2.gz DZPYYJCTCGNDLS-UHFFFAOYSA-N 0 3 195.262 1.297 10 10 ADCEHN Cc1cc([O-])c([C@](C)([NH3+])CO)cc1F 238475966 573670538 /nfs/dbraw/zinc/67/05/38/573670538.db2.gz UNBSMCFUDOASHO-SNVBAGLBSA-N 0 3 199.225 1.006 10 10 ADCEHN Nc1ccc(C[NH2+]C2CC2)c([O-])c1 258076072 573674739 /nfs/dbraw/zinc/67/47/39/573674739.db2.gz HUWNEDUDOJOMMO-UHFFFAOYSA-N 0 3 178.235 1.226 10 10 ADCEHN [NH3+]C/C=C/c1ccc(Cl)c([O-])c1O 258076574 573675258 /nfs/dbraw/zinc/67/52/58/573675258.db2.gz IMYDHSWEYHBWGG-OWOJBTEDSA-N 0 3 199.637 1.723 10 10 ADCEHN [O-]c1ccccc1[C@H]1[NH2+]CC[C@H]1CO 257847199 573683160 /nfs/dbraw/zinc/68/31/60/573683160.db2.gz NWKCKYBDZJZXTQ-KWQFWETISA-N 0 3 193.246 1.035 10 10 ADCEHN [O-]c1ccccc1[C@@H]1[NH2+]CC[C@H]1CO 257847196 573683402 /nfs/dbraw/zinc/68/34/02/573683402.db2.gz NWKCKYBDZJZXTQ-GZMMTYOYSA-N 0 3 193.246 1.035 10 10 ADCEHN C[C@]1(c2ccccc2[O-])[NH2+]CCO1 238470499 573683460 /nfs/dbraw/zinc/68/34/60/573683460.db2.gz YRPHAUKPNLABLW-JTQLQIEISA-N 0 3 179.219 1.185 10 10 ADCEHN CCOc1ccc(CNCO)cc1C 258879486 573683692 /nfs/dbraw/zinc/68/36/92/573683692.db2.gz HURSXGLENDRNQS-UHFFFAOYSA-N 0 3 195.262 1.433 10 10 ADCEHN CCc1cccc([C@H](CO)[NH2+]C)c1[O-] 238304071 573685312 /nfs/dbraw/zinc/68/53/12/573685312.db2.gz WGTAIPLVVGMBDE-JTQLQIEISA-N 0 3 195.262 1.207 10 10 ADCEHN C[C@@]1(c2cc(O)ccc2[O-])CCC[NH2+]1 258085568 573688883 /nfs/dbraw/zinc/68/88/83/573688883.db2.gz NMNOXLYPAJXVGO-NSHDSACASA-N 0 3 193.246 1.696 10 10 ADCEHN C[C@]1(c2cc(O)ccc2[O-])CCC[NH2+]1 258085567 573690060 /nfs/dbraw/zinc/69/00/60/573690060.db2.gz NMNOXLYPAJXVGO-LLVKDONJSA-N 0 3 193.246 1.696 10 10 ADCEHN CC[NH2+][C@H]1CCOc2cccc([O-])c21 257851172 573691525 /nfs/dbraw/zinc/69/15/25/573691525.db2.gz OXMQYCXTWZTIRN-QMMMGPOBSA-N 0 3 193.246 1.825 10 10 ADCEHN C[C@H]1NCCc2c1cc(O)c(O)c2O 75818644 573699988 /nfs/dbraw/zinc/69/99/88/573699988.db2.gz XKDWPXTWJQHXBK-RXMQYKEDSA-N 0 3 195.218 1.010 10 10 ADCEHN COc1cc(N(C)C)ccc1CN 108239130 573704447 /nfs/dbraw/zinc/70/44/47/573704447.db2.gz MDNOVTDAYVWJDC-UHFFFAOYSA-N 0 3 180.251 1.220 10 10 ADCEHN Cc1cc(C[NH3+])c([O-])cc1Cl 75844825 573704947 /nfs/dbraw/zinc/70/49/47/573704947.db2.gz PTWSHNQTGBRPJH-UHFFFAOYSA-N 0 3 171.627 1.813 10 10 ADCEHN Cc1cc([O-])c([C@H]2CC[NH2+]2)cc1F 238490649 573710522 /nfs/dbraw/zinc/71/05/22/573710522.db2.gz BBMJPNYJIPQXJE-SECBINFHSA-N 0 3 181.210 1.874 10 10 ADCEHN Cc1cc([O-])c2c(c1)OC[C@@H]2[NH3+] 238492797 573712450 /nfs/dbraw/zinc/71/24/50/573712450.db2.gz XRTHIQQJKAMNPN-LURJTMIESA-N 0 3 165.192 1.093 10 10 ADCEHN Cc1ccc2c(c1[O-])[C@H]([NH3+])CC2 238492907 573712676 /nfs/dbraw/zinc/71/26/76/573712676.db2.gz BHNXYDWYKQTUTI-MRVPVSSYSA-N 0 3 163.220 1.647 10 10 ADCEHN Cc1cc([O-])c2c(c1)CC[C@@H]2[NH3+] 238492723 573713235 /nfs/dbraw/zinc/71/32/35/573713235.db2.gz POXTWLFCRFZJDJ-QMMMGPOBSA-N 0 3 163.220 1.647 10 10 ADCEHN Cc1ccc2c(c1[O-])[C@@H]([NH3+])CC2 238493432 573712810 /nfs/dbraw/zinc/71/28/10/573712810.db2.gz BHNXYDWYKQTUTI-QMMMGPOBSA-N 0 3 163.220 1.647 10 10 ADCEHN [NH3+]CCc1ccc(Cl)c([O-])c1O 258096259 573712960 /nfs/dbraw/zinc/71/29/60/573712960.db2.gz OLRTXABXWNTVRB-UHFFFAOYSA-N 0 3 187.626 1.252 10 10 ADCEHN Cc1cc([O-])c2c(c1)OCC[C@H]2[NH3+] 238492878 573715553 /nfs/dbraw/zinc/71/55/53/573715553.db2.gz LEDAEYVGOQWPEL-SSDOTTSWSA-N 0 3 179.219 1.483 10 10 ADCEHN Cc1cc([O-])c2c(c1)OCC[C@@H]2[NH3+] 238492700 573715678 /nfs/dbraw/zinc/71/56/78/573715678.db2.gz LEDAEYVGOQWPEL-ZETCQYMHSA-N 0 3 179.219 1.483 10 10 ADCEHN Cc1ccc([O-])c(C[NH3+])c1C 108282139 573719598 /nfs/dbraw/zinc/71/95/98/573719598.db2.gz VSYYOSUMBQANGJ-UHFFFAOYSA-N 0 3 151.209 1.468 10 10 ADCEHN C[C@H]([NH3+])Cc1ccc(F)c([O-])c1O 258108644 573725766 /nfs/dbraw/zinc/72/57/66/573725766.db2.gz PJYVKXDUFXJNAN-YFKPBYRVSA-N 0 3 185.198 1.127 10 10 ADCEHN Cc1cccc([O-])c1[C@@H]([NH3+])[C@H](C)O 238485947 573726440 /nfs/dbraw/zinc/72/64/40/573726440.db2.gz JKHQDFUGAYXYRT-XVKPBYJWSA-N 0 3 181.235 1.081 10 10 ADCEHN C[C@@H]([NH3+])Cc1ccc(F)c([O-])c1O 258108642 573727336 /nfs/dbraw/zinc/72/73/36/573727336.db2.gz PJYVKXDUFXJNAN-RXMQYKEDSA-N 0 3 185.198 1.127 10 10 ADCEHN [NH3+]Cc1cc2c(cc1[O-])CCC2 108285146 573727624 /nfs/dbraw/zinc/72/76/24/573727624.db2.gz HJSVBKBPQQVWFG-UHFFFAOYSA-N 0 3 163.220 1.340 10 10 ADCEHN Cc1cc([O-])c(C2([NH3+])CCC2)c(O)c1 238487632 573728582 /nfs/dbraw/zinc/72/85/82/573728582.db2.gz ASZXJESRYUVESV-UHFFFAOYSA-N 0 3 193.246 1.744 10 10 ADCEHN Cc1cc([O-])c([C@@H]([NH3+])[C@H](C)O)cc1F 238488327 573729585 /nfs/dbraw/zinc/72/95/85/573729585.db2.gz GFGUONWHLPBQKX-WKEGUHRASA-N 0 3 199.225 1.220 10 10 ADCEHN NC[C@@H](F)c1ccc(O)c(O)c1 108289333 573735976 /nfs/dbraw/zinc/73/59/76/573735976.db2.gz NEVNPXHLIFMZLX-ZCFIWIBFSA-N 0 3 171.171 1.067 10 10 ADCEHN C[C@@H]([NH3+])Cc1cc([O-])c(O)c(F)c1 258103741 573741702 /nfs/dbraw/zinc/74/17/02/573741702.db2.gz PAOWUZJXVRBSTQ-RXMQYKEDSA-N 0 3 185.198 1.127 10 10 ADCEHN C[C@@H]1COC[C@H](c2ccccc2O)N1 108302908 573743475 /nfs/dbraw/zinc/74/34/75/573743475.db2.gz VLQZTKKHVZBEBS-PSASIEDQSA-N 0 3 193.246 1.442 10 10 ADCEHN C[C@H]1COC[C@@H](c2ccccc2O)N1 108302913 573744150 /nfs/dbraw/zinc/74/41/50/573744150.db2.gz VLQZTKKHVZBEBS-WPRPVWTQSA-N 0 3 193.246 1.442 10 10 ADCEHN C[C@H]1COC[C@H](c2ccccc2O)N1 108302909 573744175 /nfs/dbraw/zinc/74/41/75/573744175.db2.gz VLQZTKKHVZBEBS-WCBMZHEXSA-N 0 3 193.246 1.442 10 10 ADCEHN CC(C)([NH3+])Cc1ccc(F)c([O-])c1O 258116522 573749814 /nfs/dbraw/zinc/74/98/14/573749814.db2.gz LVNOVITWJOTRSM-UHFFFAOYSA-N 0 3 199.225 1.517 10 10 ADCEHN C[C@@](F)(CN)c1ccc(O)c(O)c1 257865696 573751926 /nfs/dbraw/zinc/75/19/26/573751926.db2.gz WZXDOTQPVYHJDE-SECBINFHSA-N 0 3 185.198 1.241 10 10 ADCEHN C[C@](F)(CN)c1ccc(O)c(O)c1 257865698 573753024 /nfs/dbraw/zinc/75/30/24/573753024.db2.gz WZXDOTQPVYHJDE-VIFPVBQESA-N 0 3 185.198 1.241 10 10 ADCEHN [NH3+]Cc1cc(CN2CCC2)ccc1[O-] 257868232 573759584 /nfs/dbraw/zinc/75/95/84/573759584.db2.gz SOFQZJHFLLNSQT-UHFFFAOYSA-N 0 3 192.262 1.057 10 10 ADCEHN COc1cc([O-])c(C(C)(C)[NH3+])cc1F 258121329 573760998 /nfs/dbraw/zinc/76/09/98/573760998.db2.gz MCWUOHLAOVFWMV-UHFFFAOYSA-N 0 3 199.225 1.734 10 10 ADCEHN CC[NH2+][C@@H]1CCNc2cccc([O-])c21 257870275 573761468 /nfs/dbraw/zinc/76/14/68/573761468.db2.gz SVOVAOHERWFQLI-SECBINFHSA-N 0 3 192.262 1.858 10 10 ADCEHN CC[NH2+][C@H]1CCNc2cccc([O-])c21 257870278 573765471 /nfs/dbraw/zinc/76/54/71/573765471.db2.gz SVOVAOHERWFQLI-VIFPVBQESA-N 0 3 192.262 1.858 10 10 ADCEHN [O-]c1ccccc1[C@H]1C[C@H](CO)C[NH2+]1 108340981 573766163 /nfs/dbraw/zinc/76/61/63/573766163.db2.gz XPRYCOXMIKTTOG-WCBMZHEXSA-N 0 3 193.246 1.035 10 10 ADCEHN Cc1c(O)ccc([C@@H]([NH3+])C2CC2)c1[O-] 238509782 573766816 /nfs/dbraw/zinc/76/68/16/573766816.db2.gz YUWQEIKPMJDHGZ-JTQLQIEISA-N 0 3 193.246 1.816 10 10 ADCEHN [O-]c1ccccc1[C@@H]1C[C@H](CO)C[NH2+]1 108340979 573770064 /nfs/dbraw/zinc/77/00/64/573770064.db2.gz XPRYCOXMIKTTOG-WPRPVWTQSA-N 0 3 193.246 1.035 10 10 ADCEHN [NH3+]C1(c2cc(O)ccc2[O-])CCC1 258117574 573778110 /nfs/dbraw/zinc/77/81/10/573778110.db2.gz ZQZPCRJLSRCKNA-UHFFFAOYSA-N 0 3 179.219 1.436 10 10 ADCEHN Cc1cc(F)cc(C[NH3+])c1[O-] 108366642 573779471 /nfs/dbraw/zinc/77/94/71/573779471.db2.gz JEDASUXTQQOPJZ-UHFFFAOYSA-N 0 3 155.172 1.298 10 10 ADCEHN Cc1cc([C@@H](C)C[NH3+])c(F)c([O-])c1O 258129212 573780229 /nfs/dbraw/zinc/78/02/29/573780229.db2.gz MVJUQIKIIRRCRM-LURJTMIESA-N 0 3 199.225 1.608 10 10 ADCEHN C[C@@]1(c2ccccc2[O-])[NH2+]CCO1 238504125 573784567 /nfs/dbraw/zinc/78/45/67/573784567.db2.gz YRPHAUKPNLABLW-SNVBAGLBSA-N 0 3 179.219 1.185 10 10 ADCEHN Nc1cccc([O-])c1C[NH+]1CCCC1 108373184 573785381 /nfs/dbraw/zinc/78/53/81/573785381.db2.gz KNGFBMXYTAXRKY-UHFFFAOYSA-N 0 3 192.262 1.570 10 10 ADCEHN COc1ccc(N(C)C)c([C@@H](C)N)c1 258128647 573800638 /nfs/dbraw/zinc/80/06/38/573800638.db2.gz RGGVTOBGDPERCA-MRVPVSSYSA-N 0 3 194.278 1.781 10 10 ADCEHN Cc1cc(F)cc([C@@](C)([NH3+])CO)c1[O-] 238529134 573808642 /nfs/dbraw/zinc/80/86/42/573808642.db2.gz IKPKCNHURHVJQU-JTQLQIEISA-N 0 3 199.225 1.006 10 10 ADCEHN COc1ccc2c(c1[O-])C[NH2+]C21CC1 257882262 573808985 /nfs/dbraw/zinc/80/89/85/573808985.db2.gz VPRMHPZXDNNMCT-UHFFFAOYSA-N 0 3 191.230 1.493 10 10 ADCEHN CC[C@@H](C)[NH2+]Cc1cccc(O)c1[O-] 41049376 573814522 /nfs/dbraw/zinc/81/45/22/573814522.db2.gz FYSUHNUKHOHJLA-MRVPVSSYSA-N 0 3 195.262 1.986 10 10 ADCEHN C[C@]1(c2ccccc2[O-])[NH2+]CC[C@@H]1F 258139990 573814622 /nfs/dbraw/zinc/81/46/22/573814622.db2.gz QYOCGJUZCCZMLW-WDEREUQCSA-N 0 3 195.237 1.939 10 10 ADCEHN CCCC[NH2+]Cc1cccc(O)c1[O-] 41049388 573815017 /nfs/dbraw/zinc/81/50/17/573815017.db2.gz MBJKKDALCMDGMF-UHFFFAOYSA-N 0 3 195.262 1.988 10 10 ADCEHN C[C@@]1(c2ccccc2[O-])[NH2+]CC[C@H]1F 258139984 573815110 /nfs/dbraw/zinc/81/51/10/573815110.db2.gz QYOCGJUZCCZMLW-MNOVXSKESA-N 0 3 195.237 1.939 10 10 ADCEHN C[C@H]([NH3+])c1ccc2c(c1[O-])OCCO2 258145414 573815349 /nfs/dbraw/zinc/81/53/49/573815349.db2.gz SXGQZDUBBYZYBT-LURJTMIESA-N 0 3 195.218 1.183 10 10 ADCEHN C[C@]1(c2ccccc2[O-])[NH2+]CC[C@H]1F 258139979 573815615 /nfs/dbraw/zinc/81/56/15/573815615.db2.gz QYOCGJUZCCZMLW-GHMZBOCLSA-N 0 3 195.237 1.939 10 10 ADCEHN CC(C)C[NH2+]Cc1cccc(O)c1[O-] 41049378 573815676 /nfs/dbraw/zinc/81/56/76/573815676.db2.gz BPDQRTYALNMWMQ-UHFFFAOYSA-N 0 3 195.262 1.843 10 10 ADCEHN C[NH2+][C@H]1CCOc2cccc([O-])c21 257881263 573816654 /nfs/dbraw/zinc/81/66/54/573816654.db2.gz MAJNQJLJUGVURQ-ZETCQYMHSA-N 0 3 179.219 1.435 10 10 ADCEHN C[NH2+][C@@H]1CCOc2cccc([O-])c21 257881259 573816885 /nfs/dbraw/zinc/81/68/85/573816885.db2.gz MAJNQJLJUGVURQ-SSDOTTSWSA-N 0 3 179.219 1.435 10 10 ADCEHN C[C@@H](NC1COC1)c1ccccc1O 87194747 573817044 /nfs/dbraw/zinc/81/70/44/573817044.db2.gz NVQVNAGBUIDZDZ-MRVPVSSYSA-N 0 3 193.246 1.442 10 10 ADCEHN CSc1ccc(C)c([O-])c1C[NH3+] 258148039 573817418 /nfs/dbraw/zinc/81/74/18/573817418.db2.gz TXLWPVODZJCGHU-UHFFFAOYSA-N 0 3 183.276 1.881 10 10 ADCEHN [NH3+]C1(Cc2ccc(F)c([O-])c2O)CC1 258145529 573817706 /nfs/dbraw/zinc/81/77/06/573817706.db2.gz SZUQSAFYSVLMII-UHFFFAOYSA-N 0 3 197.209 1.271 10 10 ADCEHN C[C@H](NC1COC1)c1ccccc1O 87194746 573818441 /nfs/dbraw/zinc/81/84/41/573818441.db2.gz NVQVNAGBUIDZDZ-QMMMGPOBSA-N 0 3 193.246 1.442 10 10 ADCEHN Cc1ccc(O)c(CNC2COC2)c1 87194957 573818734 /nfs/dbraw/zinc/81/87/34/573818734.db2.gz YYTGFSDKFHACDQ-UHFFFAOYSA-N 0 3 193.246 1.189 10 10 ADCEHN C[C@@H]([NH3+])c1ccc2c(c1[O-])OCCO2 258145419 573820158 /nfs/dbraw/zinc/82/01/58/573820158.db2.gz SXGQZDUBBYZYBT-ZCFIWIBFSA-N 0 3 195.218 1.183 10 10 ADCEHN Cc1cc(O)c([O-])c(Cl)c1C[NH3+] 258147819 573820332 /nfs/dbraw/zinc/82/03/32/573820332.db2.gz TVDWXCCNUCEKHV-UHFFFAOYSA-N 0 3 187.626 1.518 10 10 ADCEHN CCOc1ccc(CNCN)cc1C 258961429 573833317 /nfs/dbraw/zinc/83/33/17/573833317.db2.gz VYYHNNIBAADJMO-UHFFFAOYSA-N 0 3 194.278 1.400 10 10 ADCEHN C[N@@H+]1CC[C@H](O)[C@@H]1c1ccccc1[O-] 257885233 573832927 /nfs/dbraw/zinc/83/29/27/573832927.db2.gz WCGOTEIQFLEXIN-QWRGUYRKSA-N 0 3 193.246 1.130 10 10 ADCEHN C[N@H+]1CC[C@H](O)[C@@H]1c1ccccc1[O-] 257885233 573832931 /nfs/dbraw/zinc/83/29/31/573832931.db2.gz WCGOTEIQFLEXIN-QWRGUYRKSA-N 0 3 193.246 1.130 10 10 ADCEHN CC(C)([NH3+])c1cccc(CO)c1[O-] 238155006 573837038 /nfs/dbraw/zinc/83/70/38/573837038.db2.gz LLPFXOBFWRMKLJ-UHFFFAOYSA-N 0 3 181.235 1.078 10 10 ADCEHN Cc1cccc([O-])c1[C@@H]([NH3+])CCO 238536075 573843159 /nfs/dbraw/zinc/84/31/59/573843159.db2.gz QFAGBSKZJSLDBF-QMMMGPOBSA-N 0 3 181.235 1.083 10 10 ADCEHN Cc1cccc([O-])c1[C@H]([NH3+])CCO 238536881 573843538 /nfs/dbraw/zinc/84/35/38/573843538.db2.gz QFAGBSKZJSLDBF-MRVPVSSYSA-N 0 3 181.235 1.083 10 10 ADCEHN Cc1cccc([O-])c1[C@@](C)([NH3+])CCO 238536611 573845083 /nfs/dbraw/zinc/84/50/83/573845083.db2.gz VZUZQDACBGDMJJ-NSHDSACASA-N 0 3 195.262 1.257 10 10 ADCEHN Cc1cccc(O)c1[C@H]1COCCN1 238537264 573845475 /nfs/dbraw/zinc/84/54/75/573845475.db2.gz QHLLFOQFPSRZTA-SECBINFHSA-N 0 3 193.246 1.362 10 10 ADCEHN CC(C)([NH3+])c1cc(O)ccc1[O-] 238151073 573848903 /nfs/dbraw/zinc/84/89/03/573848903.db2.gz JESZZOLAHHBGKW-UHFFFAOYSA-N 0 3 167.208 1.292 10 10 ADCEHN CC(C)([NH3+])c1cc(N)cc(F)c1[O-] 238150945 573848523 /nfs/dbraw/zinc/84/85/23/573848523.db2.gz KFGYSPWQMDDHDC-UHFFFAOYSA-N 0 3 184.214 1.307 10 10 ADCEHN CC(C)([NH3+])c1cc(F)cc(N)c1[O-] 238150185 573848695 /nfs/dbraw/zinc/84/86/95/573848695.db2.gz QGBZQJRRBSCELV-UHFFFAOYSA-N 0 3 184.214 1.307 10 10 ADCEHN [O-]c1ccccc1C12CC(C1)[NH2+]2 258162202 573853709 /nfs/dbraw/zinc/85/37/09/573853709.db2.gz LTOQPEPSMGEXEC-UHFFFAOYSA-N 0 3 161.204 1.353 10 10 ADCEHN CC(C)Oc1ccc(C[NH3+])c([O-])c1 238153661 573854227 /nfs/dbraw/zinc/85/42/27/573854227.db2.gz DSZKPXXEKKJBEO-UHFFFAOYSA-N 0 3 181.235 1.638 10 10 ADCEHN Cc1cc(/C=C/C[NH3+])c(F)c([O-])c1O 258155605 573856110 /nfs/dbraw/zinc/85/61/10/573856110.db2.gz URESNXACLDVYMJ-NSCUHMNNSA-N 0 3 197.209 1.517 10 10 ADCEHN CC(C)[C@H]([NH3+])c1c([O-])cccc1CO 238168764 573860003 /nfs/dbraw/zinc/86/00/03/573860003.db2.gz IXKREYUAPLSTPZ-NSHDSACASA-N 0 3 195.262 1.540 10 10 ADCEHN CC(C)[C@@H]([NH3+])c1c([O-])cccc1CO 238167496 573859576 /nfs/dbraw/zinc/85/95/76/573859576.db2.gz IXKREYUAPLSTPZ-LLVKDONJSA-N 0 3 195.262 1.540 10 10 ADCEHN CC(C)[C@@H]([NH3+])c1c(O)ccc(O)c1[O-] 238167443 573859774 /nfs/dbraw/zinc/85/97/74/573859774.db2.gz GNJDHFZLEFDIOG-SECBINFHSA-N 0 3 197.234 1.459 10 10 ADCEHN Cc1cc(C)c([C@](C)([NH3+])CO)c([O-])c1 238547436 573859866 /nfs/dbraw/zinc/85/98/66/573859866.db2.gz KCSPWYONKMOTFN-LLVKDONJSA-N 0 3 195.262 1.175 10 10 ADCEHN CC[C@]1(c2ccccc2[O-])CC[NH2+]1 258165480 573862887 /nfs/dbraw/zinc/86/28/87/573862887.db2.gz MADNWVNDXQIWCV-LLVKDONJSA-N 0 3 177.247 1.991 10 10 ADCEHN Cc1cccc([C@](C)([NH3+])CCO)c1[O-] 238548109 573863260 /nfs/dbraw/zinc/86/32/60/573863260.db2.gz LFFDYKFMPDPRSY-LLVKDONJSA-N 0 3 195.262 1.257 10 10 ADCEHN CC(C)[C@H]([NH3+])c1ccc(N)cc1[O-] 238179078 573881966 /nfs/dbraw/zinc/88/19/66/573881966.db2.gz XQRUEUUUGSVSDK-JTQLQIEISA-N 0 3 180.251 1.630 10 10 ADCEHN Cc1cccc(C([O-])=C[N+]#N)c1 80125340 573882388 /nfs/dbraw/zinc/88/23/88/573882388.db2.gz FZUZAYDXKLWUDJ-UHFFFAOYSA-N 0 3 160.176 1.478 10 10 ADCEHN N#[N+]C=C([O-])c1ccc(F)cc1 80233060 573886742 /nfs/dbraw/zinc/88/67/42/573886742.db2.gz LZQCKFADJHWBER-UHFFFAOYSA-N 0 3 164.139 1.309 10 10 ADCEHN Cc1cc(C)c([C@H]([NH3+])CO)c([O-])c1C 259581752 573915814 /nfs/dbraw/zinc/91/58/14/573915814.db2.gz YHAIKYMDVBTAAF-SECBINFHSA-N 0 3 195.262 1.310 10 10 ADCEHN [NH3+][C@H](c1ccccc1[O-])[C@H]1CCOC1 257901545 573926040 /nfs/dbraw/zinc/92/60/40/573926040.db2.gz YVQUDKCUMMVZPW-KWQFWETISA-N 0 3 193.246 1.429 10 10 ADCEHN [NH3+][C@@H](c1ccccc1[O-])[C@H]1CCOC1 257901541 573926094 /nfs/dbraw/zinc/92/60/94/573926094.db2.gz YVQUDKCUMMVZPW-GZMMTYOYSA-N 0 3 193.246 1.429 10 10 ADCEHN [O-]c1ccccc1[C@H]1CSCC[NH2+]1 257901516 573926243 /nfs/dbraw/zinc/92/62/43/573926243.db2.gz YVILZHMVYGWOMF-SECBINFHSA-N 0 3 195.287 1.770 10 10 ADCEHN [NH3+][C@@H](c1ccccc1[O-])[C@@H]1CCOC1 257901547 573927907 /nfs/dbraw/zinc/92/79/07/573927907.db2.gz YVQUDKCUMMVZPW-LDYMZIIASA-N 0 3 193.246 1.429 10 10 ADCEHN [NH3+][C@H](c1ccccc1[O-])[C@@H]1CCOC1 257901543 573928596 /nfs/dbraw/zinc/92/85/96/573928596.db2.gz YVQUDKCUMMVZPW-KCJUWKMLSA-N 0 3 193.246 1.429 10 10 ADCEHN C[C@@H](C[NH3+])c1ccc(F)c([O-])c1O 258184279 573939702 /nfs/dbraw/zinc/93/97/02/573939702.db2.gz WUTAVXQQEBYZPJ-YFKPBYRVSA-N 0 3 185.198 1.299 10 10 ADCEHN CC(C)c1ccc2c(c1[O-])[C@H]([NH3+])CO2 238214800 573939464 /nfs/dbraw/zinc/93/94/64/573939464.db2.gz AJOAOMSNWMMHOT-MRVPVSSYSA-N 0 3 193.246 1.908 10 10 ADCEHN [NH3+]C1(c2cccc(O)c2[O-])CCCC1 258189496 573958172 /nfs/dbraw/zinc/95/81/72/573958172.db2.gz XEQOWUOYXJIISS-UHFFFAOYSA-N 0 3 193.246 1.826 10 10 ADCEHN [O-]c1c(O)ccc([C@H]2CCC[NH2+]2)c1F 258189598 573961245 /nfs/dbraw/zinc/96/12/45/573961245.db2.gz XGYBYKJJZADYIZ-SSDOTTSWSA-N 0 3 197.209 1.661 10 10 ADCEHN CC(C)[C@H](O)[C@@H]([NH3+])c1ccccc1[O-] 238216486 573962186 /nfs/dbraw/zinc/96/21/86/573962186.db2.gz KEPGTACUZNSALI-QWRGUYRKSA-N 0 3 195.262 1.409 10 10 ADCEHN [NH3+]CC1(c2ccc(F)c([O-])c2O)CC1 258191917 573966865 /nfs/dbraw/zinc/96/68/65/573966865.db2.gz XLDQJODPPMXXER-UHFFFAOYSA-N 0 3 197.209 1.227 10 10 ADCEHN CCC[C@@H]([NH3+])c1c([O-])cccc1O 238228443 573970926 /nfs/dbraw/zinc/97/09/26/573970926.db2.gz UDTRUTAXZWUGJI-SSDOTTSWSA-N 0 3 181.235 1.898 10 10 ADCEHN CCC[C@@H]([NH3+])c1c(O)ccc(O)c1[O-] 238228377 573971326 /nfs/dbraw/zinc/97/13/26/573971326.db2.gz KTQGJMIJHSGODV-ZCFIWIBFSA-N 0 3 197.234 1.603 10 10 ADCEHN Cc1c(O)ccc([C@H](C)[NH3+])c1[O-] 104404885 573980433 /nfs/dbraw/zinc/98/04/33/573980433.db2.gz CDRVRLBHGJJPKD-LURJTMIESA-N 0 3 167.208 1.426 10 10 ADCEHN CC(C)[C@@H]([NH3+])c1cc(CO)ccc1[O-] 104452235 573982490 /nfs/dbraw/zinc/98/24/90/573982490.db2.gz QRGRBSUKGQAASE-LLVKDONJSA-N 0 3 195.262 1.540 10 10 ADCEHN COCc1ccc([O-])c([C@@H](C)[NH3+])c1 104451042 573982526 /nfs/dbraw/zinc/98/25/26/573982526.db2.gz GGSLKXCSLKMLDK-SSDOTTSWSA-N 0 3 181.235 1.558 10 10 ADCEHN COCc1ccc([O-])c([C@H]2CC[NH2+]2)c1 104450238 573982765 /nfs/dbraw/zinc/98/27/65/573982765.db2.gz RKCGNFIKMYKLTR-SNVBAGLBSA-N 0 3 193.246 1.573 10 10 ADCEHN [NH3+]CCCCc1ccc(F)c([O-])c1O 258195531 573982872 /nfs/dbraw/zinc/98/28/72/573982872.db2.gz SCWYPFZWFRALGO-UHFFFAOYSA-N 0 3 199.225 1.518 10 10 ADCEHN CCOc1ccc([O-])c([C@H]2CC[NH2+]2)c1 104455343 573986793 /nfs/dbraw/zinc/98/67/93/573986793.db2.gz XZBPVJUMNCPTJT-SNVBAGLBSA-N 0 3 193.246 1.825 10 10 ADCEHN [NH3+][C@@H](c1cc(CO)ccc1[O-])C1CC1 104454928 573988242 /nfs/dbraw/zinc/98/82/42/573988242.db2.gz WBQHDIRTBMZQJN-LLVKDONJSA-N 0 3 193.246 1.294 10 10 ADCEHN [NH3+][C@@H](c1cccc(CO)c1[O-])C1CC1 104454931 573988958 /nfs/dbraw/zinc/98/89/58/573988958.db2.gz AFGGKUJPMYWIGR-SNVBAGLBSA-N 0 3 193.246 1.294 10 10 ADCEHN CCC[C@@H]([NH3+])c1ccc(N)cc1[O-] 238236865 573998334 /nfs/dbraw/zinc/99/83/34/573998334.db2.gz HGVIWWZDEIYUSP-SECBINFHSA-N 0 3 180.251 1.774 10 10 ADCEHN Cc1c(F)ccc([O-])c1[C@@H]([NH3+])[C@H](C)O 104486196 574003328 /nfs/dbraw/zinc/00/33/28/574003328.db2.gz RJTCZQOISTVGEG-WKEGUHRASA-N 0 3 199.225 1.220 10 10 ADCEHN Cc1c(F)ccc([O-])c1[C@@H]([NH3+])[C@@H](C)O 104486185 574003388 /nfs/dbraw/zinc/00/33/88/574003388.db2.gz RJTCZQOISTVGEG-LDWIPMOCSA-N 0 3 199.225 1.220 10 10 ADCEHN Cc1c(F)ccc([O-])c1[C@@](C)([NH3+])CO 104487773 574006111 /nfs/dbraw/zinc/00/61/11/574006111.db2.gz GDWPQFAQGNNNKS-JTQLQIEISA-N 0 3 199.225 1.006 10 10 ADCEHN Cc1c(F)ccc([O-])c1[C@](C)([NH3+])CO 104487770 574006538 /nfs/dbraw/zinc/00/65/38/574006538.db2.gz GDWPQFAQGNNNKS-SNVBAGLBSA-N 0 3 199.225 1.006 10 10 ADCEHN COC[C@@H]([NH3+])c1c([O-])ccc(F)c1C 104496586 574012814 /nfs/dbraw/zinc/01/28/14/574012814.db2.gz XWTNJYPPCGAUIS-MRVPVSSYSA-N 0 3 199.225 1.486 10 10 ADCEHN CCC[C@@H]([NH3+])c1cc(N)cc(F)c1[O-] 104507897 574019460 /nfs/dbraw/zinc/01/94/60/574019460.db2.gz GFEKBIGWUHGSHF-SECBINFHSA-N 0 3 198.241 1.913 10 10 ADCEHN CCC[C@@H]([NH3+])c1c(F)ccc(N)c1[O-] 104511666 574023136 /nfs/dbraw/zinc/02/31/36/574023136.db2.gz UNQSMMLSPFCJSQ-SSDOTTSWSA-N 0 3 198.241 1.913 10 10 ADCEHN CC(C)[C@@H]([NH3+])c1cc(N)cc(F)c1[O-] 104513629 574023347 /nfs/dbraw/zinc/02/33/47/574023347.db2.gz PJWPGIGOOXGYPE-SECBINFHSA-N 0 3 198.241 1.769 10 10 ADCEHN CC(C)[C@@H]([NH3+])c1cc(N)c(F)cc1[O-] 104513624 574023353 /nfs/dbraw/zinc/02/33/53/574023353.db2.gz FWLWVLUSKSDVRP-SNVBAGLBSA-N 0 3 198.241 1.769 10 10 ADCEHN C[NH2+][C@H](C)c1cccc(C)c1[O-] 104522495 574024596 /nfs/dbraw/zinc/02/45/96/574024596.db2.gz UZAXZRWCGHULNL-MRVPVSSYSA-N 0 3 165.236 1.981 10 10 ADCEHN C[NH2+][C@H](C)c1cccc(O)c1[O-] 104523125 574024640 /nfs/dbraw/zinc/02/46/40/574024640.db2.gz XNGBBEKBADJNTO-ZCFIWIBFSA-N 0 3 167.208 1.378 10 10 ADCEHN C[NH2+][C@H](CO)c1ccc(C)c(C)c1[O-] 104519346 574024797 /nfs/dbraw/zinc/02/47/97/574024797.db2.gz PEGRXUSRLXMGDX-SNVBAGLBSA-N 0 3 195.262 1.262 10 10 ADCEHN COc1ccc(OC)c([C@@H](C)[NH3+])c1[O-] 104517386 574025664 /nfs/dbraw/zinc/02/56/64/574025664.db2.gz BHWMPNDOWJMXAF-ZCFIWIBFSA-N 0 3 197.234 1.429 10 10 ADCEHN C[NH2+][C@H](CO)c1c(C)ccc(C)c1[O-] 104519339 574025812 /nfs/dbraw/zinc/02/58/12/574025812.db2.gz WGKWKEAOISSXBS-SECBINFHSA-N 0 3 195.262 1.262 10 10 ADCEHN C[NH2+][C@H](C)c1cc(OC)c(C)cc1[O-] 104517979 574025883 /nfs/dbraw/zinc/02/58/83/574025883.db2.gz LXDOSKHTPQROBQ-MRVPVSSYSA-N 0 3 195.262 1.990 10 10 ADCEHN C[NH2+][C@H](CO)c1c(C)cc(C)cc1[O-] 104519330 574026017 /nfs/dbraw/zinc/02/60/17/574026017.db2.gz JKKLBYJGWREFFQ-SECBINFHSA-N 0 3 195.262 1.262 10 10 ADCEHN C[NH2+][C@H](CO)c1cc(C)c(C)cc1[O-] 104518707 574026105 /nfs/dbraw/zinc/02/61/05/574026105.db2.gz BYQJVNFWINITHX-SNVBAGLBSA-N 0 3 195.262 1.262 10 10 ADCEHN C[NH2+][C@H](C)c1cccc(OC)c1[O-] 104521861 574026257 /nfs/dbraw/zinc/02/62/57/574026257.db2.gz UDIIVLAITWMLSN-SSDOTTSWSA-N 0 3 181.235 1.681 10 10 ADCEHN CN[C@H](C)c1cc(O)c(O)c(OC)c1 104518656 574026426 /nfs/dbraw/zinc/02/64/26/574026426.db2.gz KADXEJMJECYCDK-ZCFIWIBFSA-N 0 3 197.234 1.387 10 10 ADCEHN C[NH2+][C@H](CO)c1cc(F)cc(C)c1[O-] 104521966 574026491 /nfs/dbraw/zinc/02/64/91/574026491.db2.gz QFWVXJIUENORSJ-SECBINFHSA-N 0 3 199.225 1.093 10 10 ADCEHN C[NH2+][C@H]1CCc2cccc([O-])c21 147329029 486954604 /nfs/dbraw/zinc/95/46/04/486954604.db2.gz IQKACIYAXCLCEN-QMMMGPOBSA-N 0 3 163.220 1.599 10 10 ADCEHN C[NH2+][C@@H]1CCc2cccc([O-])c21 147328781 486954801 /nfs/dbraw/zinc/95/48/01/486954801.db2.gz IQKACIYAXCLCEN-MRVPVSSYSA-N 0 3 163.220 1.599 10 10 ADCEHN [NH3+][C@H](CF)c1c([O-])cccc1O 757136039 582459795 /nfs/dbraw/zinc/45/97/95/582459795.db2.gz YJPLBSFWPXAWEE-RXMQYKEDSA-N 0 3 171.171 1.067 10 10 ADCEHN [NH3+][C@@H](CF)c1c([O-])cccc1O 757136047 582460126 /nfs/dbraw/zinc/46/01/26/582460126.db2.gz YJPLBSFWPXAWEE-YFKPBYRVSA-N 0 3 171.171 1.067 10 10 ADCEHN C[C@@H](CO)[N@H+](C)Cc1ccccc1[O-] 220120705 582747555 /nfs/dbraw/zinc/74/75/55/582747555.db2.gz WJLZPISSSYBRDW-VIFPVBQESA-N 0 3 195.262 1.205 10 10 ADCEHN C[C@@H](CO)[N@@H+](C)Cc1ccccc1[O-] 220120705 582747558 /nfs/dbraw/zinc/74/75/58/582747558.db2.gz WJLZPISSSYBRDW-VIFPVBQESA-N 0 3 195.262 1.205 10 10 ADCEHN CC[N@H+](C)Cc1c([O-])cccc1OC 768237820 582834966 /nfs/dbraw/zinc/83/49/66/582834966.db2.gz VFALXGLEYYQUKX-UHFFFAOYSA-N 0 3 195.262 1.853 10 10 ADCEHN CC[N@@H+](C)Cc1c([O-])cccc1OC 768237820 582834967 /nfs/dbraw/zinc/83/49/67/582834967.db2.gz VFALXGLEYYQUKX-UHFFFAOYSA-N 0 3 195.262 1.853 10 10 ADCEHN COCCc1ccc([O-])c([C@@H](C)[NH3+])c1 104451869 583117467 /nfs/dbraw/zinc/11/74/67/583117467.db2.gz JILBLBGRPPHDIY-MRVPVSSYSA-N 0 3 195.262 1.601 10 10 ADCEHN CC[C@@H]([NH2+]CCO)c1ccccc1[O-] 20596983 583381604 /nfs/dbraw/zinc/38/16/04/583381604.db2.gz DLKTXIVJBOAKLE-SNVBAGLBSA-N 0 3 195.262 1.425 10 10 ADCEHN CC[C@H]([NH2+]CCO)c1ccccc1[O-] 20596984 583381674 /nfs/dbraw/zinc/38/16/74/583381674.db2.gz DLKTXIVJBOAKLE-JTQLQIEISA-N 0 3 195.262 1.425 10 10 ADCEHN CC(=O)CN[C@@H](C)c1ccccc1O 879649713 583422089 /nfs/dbraw/zinc/42/20/89/583422089.db2.gz DBHFVQHBLHHKSK-VIFPVBQESA-N 0 3 193.246 1.632 10 10 ADCEHN CC(=O)CN[C@H](C)c1ccccc1O 879649711 583422109 /nfs/dbraw/zinc/42/21/09/583422109.db2.gz DBHFVQHBLHHKSK-SECBINFHSA-N 0 3 193.246 1.632 10 10 ADCEHN COCCc1ccc([O-])c([C@H](C)[NH3+])c1 211597465 583443251 /nfs/dbraw/zinc/44/32/51/583443251.db2.gz JILBLBGRPPHDIY-QMMMGPOBSA-N 0 3 195.262 1.601 10 10 ADCEHN C[C@H](NC1C[NH2+]C1)c1ccccc1[O-] 215965036 583482233 /nfs/dbraw/zinc/48/22/33/583482233.db2.gz CSMQHLFXFFRFGP-QMMMGPOBSA-N 0 3 192.262 1.015 10 10 ADCEHN C[C@@H](NC1C[NH2+]C1)c1ccccc1[O-] 215965080 583482459 /nfs/dbraw/zinc/48/24/59/583482459.db2.gz CSMQHLFXFFRFGP-MRVPVSSYSA-N 0 3 192.262 1.015 10 10 ADCEHN CC[C@@H](O)C[NH2+]Cc1ccccc1[O-] 229963520 1188791353 /nfs/dbraw/zinc/79/13/53/1188791353.db2.gz UNTMXMZBWTZPHF-SNVBAGLBSA-N 0 3 195.262 1.253 10 10 ADCEHN [O-]c1ccccc1C[NH2+]C1(CO)CC1 159651603 697659663 /nfs/dbraw/zinc/65/96/63/697659663.db2.gz CNBCQVRVGWAYIQ-UHFFFAOYSA-N 0 3 193.246 1.007 10 10 ADCEHN CC[N@H+](C)Cc1cc(F)ccc1[O-] 226562124 697692847 /nfs/dbraw/zinc/69/28/47/697692847.db2.gz BWJIFOGOJFLDKB-UHFFFAOYSA-N 0 3 183.226 1.983 10 10 ADCEHN CC[N@@H+](C)Cc1cc(F)ccc1[O-] 226562124 697692849 /nfs/dbraw/zinc/69/28/49/697692849.db2.gz BWJIFOGOJFLDKB-UHFFFAOYSA-N 0 3 183.226 1.983 10 10 ADCEHN C[C@@H](CF)[NH2+]Cc1ccccc1[O-] 388253110 697947347 /nfs/dbraw/zinc/94/73/47/697947347.db2.gz AIZVIIJTLHOYAD-QMMMGPOBSA-N 0 3 183.226 1.840 10 10 ADCEHN CC1C[NH+](Cc2cc(F)ccc2[O-])C1 802651405 698101279 /nfs/dbraw/zinc/10/12/79/698101279.db2.gz OLJHZOXVRMKGSX-UHFFFAOYSA-N 0 3 195.237 1.983 10 10 ADCEHN Cc1cccc([O-])c1[C@@H](C)[NH3+] 145531832 325624170 /nfs/dbraw/zinc/62/41/70/325624170.db2.gz WAZZURDGDKLQLZ-SSDOTTSWSA-N 0 3 151.209 1.720 10 10 ADCEHN C=Cc1ccc(N2CCNCC2)cc1 39115297 132189581 /nfs/dbraw/zinc/18/95/81/132189581.db2.gz GOAKKKDKFMGSFB-UHFFFAOYSA-N 0 3 188.274 1.739 10 10 ADCEHN C=Cc1ccc([O-])c([C@@H]([NH3+])CO)c1 72197403 166223032 /nfs/dbraw/zinc/22/30/32/166223032.db2.gz NFHGHGGUCZWNCM-VIFPVBQESA-N 0 3 179.219 1.027 10 10 ADCEHN C=Cc1ccc([O-])c([C@H]([NH3+])CO)c1 72197402 166223210 /nfs/dbraw/zinc/22/32/10/166223210.db2.gz NFHGHGGUCZWNCM-SECBINFHSA-N 0 3 179.219 1.027 10 10 ADCEHN CC(C)(C)[NH2+]Cc1ccc(O)cc1[O-] 22141162 166364942 /nfs/dbraw/zinc/36/49/42/166364942.db2.gz KTFUGQIDHHIATF-UHFFFAOYSA-N 0 3 195.262 1.986 10 10 ADCEHN CC(C)(C)[NH2+]Cc1cccc(O)c1[O-] 41049366 166365071 /nfs/dbraw/zinc/36/50/71/166365071.db2.gz TVMAFOYDIXUANL-UHFFFAOYSA-N 0 3 195.262 1.986 10 10 ADCEHN CC(C)(C)[NH2+]Cc1cc(O)ccc1[O-] 83342290 166365382 /nfs/dbraw/zinc/36/53/82/166365382.db2.gz MOODTDJIIRWPJW-UHFFFAOYSA-N 0 3 195.262 1.986 10 10 ADCEHN CC(C)([NH3+])c1ccccc1[O-] 33487308 166405979 /nfs/dbraw/zinc/40/59/79/166405979.db2.gz GRPWEOLAJWBIQM-UHFFFAOYSA-N 0 3 151.209 1.586 10 10 ADCEHN CCC[C@H]([NH3+])c1ccc(O)cc1[O-] 82726967 167083301 /nfs/dbraw/zinc/08/33/01/167083301.db2.gz KYTWFMDWTQHWHZ-VIFPVBQESA-N 0 3 181.235 1.898 10 10 ADCEHN CCCc1ccc([O-])c(C[NH3+])c1 29218445 167103222 /nfs/dbraw/zinc/10/32/22/167103222.db2.gz DMUOQDXQTFSPCQ-UHFFFAOYSA-N 0 3 165.236 1.803 10 10 ADCEHN CC[NH+](CC)Cc1cc(O)ccc1[O-] 73647536 167171006 /nfs/dbraw/zinc/17/10/06/167171006.db2.gz FNDXNYZTCWDDGH-UHFFFAOYSA-N 0 3 195.262 1.940 10 10 ADCEHN CCN(CC)c1ccc(C[NH3+])c([O-])c1 83342167 167173804 /nfs/dbraw/zinc/17/38/04/167173804.db2.gz DYMVWDWEFBYNCA-UHFFFAOYSA-N 0 3 194.278 1.697 10 10 ADCEHN CC[NH2+]Cc1ccc(O)cc1[O-] 19516680 167273738 /nfs/dbraw/zinc/27/37/38/167273738.db2.gz YZAIJBJIJMUUQS-UHFFFAOYSA-N 0 3 167.208 1.207 10 10 ADCEHN CC[NH2+]Cc1cc(C)ccc1[O-] 70954495 167274386 /nfs/dbraw/zinc/27/43/86/167274386.db2.gz WCCAIOGUHDFCBQ-UHFFFAOYSA-N 0 3 165.236 1.810 10 10 ADCEHN CC[NH2+]Cc1ccc(OC)cc1[O-] 32023610 167274767 /nfs/dbraw/zinc/27/47/67/167274767.db2.gz FSMRNIKSSKQHGB-UHFFFAOYSA-N 0 3 181.235 1.510 10 10 ADCEHN CC[NH2+]Cc1cc(O)ccc1[O-] 83339844 167274965 /nfs/dbraw/zinc/27/49/65/167274965.db2.gz XQMWCAZYXQNGPF-UHFFFAOYSA-N 0 3 167.208 1.207 10 10 ADCEHN CC[NH2+]Cc1cc(OC)ccc1[O-] 20084630 167275199 /nfs/dbraw/zinc/27/51/99/167275199.db2.gz VVWAZPCPMPMXDF-UHFFFAOYSA-N 0 3 181.235 1.510 10 10 ADCEHN CC[NH2+]Cc1ccc(C)cc1[O-] 83339805 167275218 /nfs/dbraw/zinc/27/52/18/167275218.db2.gz TWAYPFSMUVHUNY-UHFFFAOYSA-N 0 3 165.236 1.810 10 10 ADCEHN CC[NH2+]Cc1cc2c(cc1[O-])OCO2 42878984 167275605 /nfs/dbraw/zinc/27/56/05/167275605.db2.gz DREAPCUPFPHAJV-UHFFFAOYSA-N 0 3 195.218 1.230 10 10 ADCEHN CC[NH2+]Cc1cccc(O)c1[O-] 41049369 167277186 /nfs/dbraw/zinc/27/71/86/167277186.db2.gz VKNJYKQTMCTXFP-UHFFFAOYSA-N 0 3 167.208 1.207 10 10 ADCEHN CC[NH2+]Cc1cccc(OCC)c1[O-] 19434204 167277466 /nfs/dbraw/zinc/27/74/66/167277466.db2.gz ZOPCLKXCVQHZBB-UHFFFAOYSA-N 0 3 195.262 1.900 10 10 ADCEHN CC[NH2+]Cc1cccc(C)c1[O-] 83339804 167278435 /nfs/dbraw/zinc/27/84/35/167278435.db2.gz GCONZGSAQKVNOH-UHFFFAOYSA-N 0 3 165.236 1.810 10 10 ADCEHN CC[NH2+][C@@H](C)c1ccc(O)cc1[O-] 19475713 167283391 /nfs/dbraw/zinc/28/33/91/167283391.db2.gz GBOFPSMJZNEPHG-ZETCQYMHSA-N 0 3 181.235 1.768 10 10 ADCEHN CC[NH2+][C@@H](C)c1cc(O)ccc1[O-] 19801949 167284778 /nfs/dbraw/zinc/28/47/78/167284778.db2.gz RGMIMYUFUWRFQV-ZETCQYMHSA-N 0 3 181.235 1.768 10 10 ADCEHN CC[NH2+][C@H](C)c1ccc(O)cc1[O-] 19475715 167295688 /nfs/dbraw/zinc/29/56/88/167295688.db2.gz GBOFPSMJZNEPHG-SSDOTTSWSA-N 0 3 181.235 1.768 10 10 ADCEHN CC[NH2+][C@H](C)c1cc(O)ccc1[O-] 19801952 167295809 /nfs/dbraw/zinc/29/58/09/167295809.db2.gz RGMIMYUFUWRFQV-SSDOTTSWSA-N 0 3 181.235 1.768 10 10 ADCEHN CCOc1ccc([O-])c([C@H](C)[NH3+])c1 71455094 167420711 /nfs/dbraw/zinc/42/07/11/167420711.db2.gz HNYSSVDZOUGKEU-ZETCQYMHSA-N 0 3 181.235 1.811 10 10 ADCEHN CC[C@@H]([NH3+])c1ccc(O)c(O)c1[O-] 71452011 167529625 /nfs/dbraw/zinc/52/96/25/167529625.db2.gz GDOTYBGVLHJORD-ZCFIWIBFSA-N 0 3 183.207 1.213 10 10 ADCEHN CC[C@@H]1NCCc2c1ccc(O)c2O 83656029 167569992 /nfs/dbraw/zinc/56/99/92/167569992.db2.gz XHBYVLBYGGTGRS-VIFPVBQESA-N 0 3 193.246 1.695 10 10 ADCEHN CC[C@H]([NH3+])c1ccc(OC)cc1[O-] 95672842 167659616 /nfs/dbraw/zinc/65/96/16/167659616.db2.gz PYJBWYISTFKUKU-VIFPVBQESA-N 0 3 181.235 1.811 10 10 ADCEHN C[NH2+]Cc1c(C)cc(C)cc1[O-] 96862338 168014361 /nfs/dbraw/zinc/01/43/61/168014361.db2.gz FBUUSHQELSZEOS-UHFFFAOYSA-N 0 3 165.236 1.728 10 10 ADCEHN C[NH2+]Cc1cc(OC)ccc1[O-] 20083943 168016555 /nfs/dbraw/zinc/01/65/55/168016555.db2.gz ASPFOIBRMXOALL-UHFFFAOYSA-N 0 3 167.208 1.120 10 10 ADCEHN C[NH2+]Cc1c(C)ccc(C)c1[O-] 82855984 168016739 /nfs/dbraw/zinc/01/67/39/168016739.db2.gz AUPACUZJLBFZSF-UHFFFAOYSA-N 0 3 165.236 1.728 10 10 ADCEHN C[NH2+]Cc1cc(C)ccc1[O-] 45793168 168016794 /nfs/dbraw/zinc/01/67/94/168016794.db2.gz UTIAPQQYLHNDGD-UHFFFAOYSA-N 0 3 151.209 1.420 10 10 ADCEHN C[NH2+]Cc1ccc(OC)cc1[O-] 19776831 168017709 /nfs/dbraw/zinc/01/77/09/168017709.db2.gz FXCDUOOQFQRHKO-UHFFFAOYSA-N 0 3 167.208 1.120 10 10 ADCEHN C[NH2+]Cc1cccc(C)c1[O-] 83339543 168018193 /nfs/dbraw/zinc/01/81/93/168018193.db2.gz SJUSNFNWMGMSEK-UHFFFAOYSA-N 0 3 151.209 1.420 10 10 ADCEHN C[NH2+]Cc1ccc(C)cc1[O-] 82840833 168018600 /nfs/dbraw/zinc/01/86/00/168018600.db2.gz TVFNTLGWQIUKMM-UHFFFAOYSA-N 0 3 151.209 1.420 10 10 ADCEHN C[NH2+][C@@H](C)c1ccc(C)cc1[O-] 20083847 168033886 /nfs/dbraw/zinc/03/38/86/168033886.db2.gz WMBXEFACWVMHKN-QMMMGPOBSA-N 0 3 165.236 1.981 10 10 ADCEHN C[NH2+][C@@H](C)c1ccc(OC)cc1[O-] 20083919 168033893 /nfs/dbraw/zinc/03/38/93/168033893.db2.gz QCODOFVRKCQLFL-ZETCQYMHSA-N 0 3 181.235 1.681 10 10 ADCEHN C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] 22148307 168034277 /nfs/dbraw/zinc/03/42/77/168034277.db2.gz JOCINOKXECURSI-ZETCQYMHSA-N 0 3 181.235 1.681 10 10 ADCEHN C[NH2+][C@@H](C)c1cc(O)ccc1[O-] 21966047 168034982 /nfs/dbraw/zinc/03/49/82/168034982.db2.gz KWPGONVIHWQYFL-LURJTMIESA-N 0 3 167.208 1.378 10 10 ADCEHN C[NH2+][C@@H](C)c1ccc(O)cc1[O-] 21964852 168035062 /nfs/dbraw/zinc/03/50/62/168035062.db2.gz FFDMUNLIMVJAKD-LURJTMIESA-N 0 3 167.208 1.378 10 10 ADCEHN C[NH2+][C@@H](C)c1cc(C)ccc1[O-] 24863206 168035496 /nfs/dbraw/zinc/03/54/96/168035496.db2.gz UUGWFKBHAKBDLO-QMMMGPOBSA-N 0 3 165.236 1.981 10 10 ADCEHN C[NH2+][C@H](C)c1cc(OC)ccc1[O-] 22148311 168051339 /nfs/dbraw/zinc/05/13/39/168051339.db2.gz JOCINOKXECURSI-SSDOTTSWSA-N 0 3 181.235 1.681 10 10 ADCEHN C[NH2+][C@H](C)c1cc(O)ccc1[O-] 21966052 168051473 /nfs/dbraw/zinc/05/14/73/168051473.db2.gz KWPGONVIHWQYFL-ZCFIWIBFSA-N 0 3 167.208 1.378 10 10 ADCEHN C[NH2+][C@H](C)c1ccc(O)cc1[O-] 21964857 168051712 /nfs/dbraw/zinc/05/17/12/168051712.db2.gz FFDMUNLIMVJAKD-ZCFIWIBFSA-N 0 3 167.208 1.378 10 10 ADCEHN C[NH2+][C@H](C)c1ccc(OC)cc1[O-] 20083922 168051936 /nfs/dbraw/zinc/05/19/36/168051936.db2.gz QCODOFVRKCQLFL-SSDOTTSWSA-N 0 3 181.235 1.681 10 10 ADCEHN C[NH2+][C@H](C)c1ccc(C)cc1[O-] 20083849 168052090 /nfs/dbraw/zinc/05/20/90/168052090.db2.gz WMBXEFACWVMHKN-MRVPVSSYSA-N 0 3 165.236 1.981 10 10 ADCEHN C[NH2+][C@H](C)c1cc(C)ccc1[O-] 24863210 168052118 /nfs/dbraw/zinc/05/21/18/168052118.db2.gz UUGWFKBHAKBDLO-MRVPVSSYSA-N 0 3 165.236 1.981 10 10 ADCEHN COCCNCc1ccc(N)cc1 53293127 168167807 /nfs/dbraw/zinc/16/78/07/168167807.db2.gz ZWKIQKGSORSPTH-UHFFFAOYSA-N 0 3 180.251 1.005 10 10 ADCEHN COc1ccc(C([O-])=C[N+]#N)cc1 37625987 168244304 /nfs/dbraw/zinc/24/43/04/168244304.db2.gz UEHXIAGUEPEVPK-UHFFFAOYSA-N 0 3 176.175 1.179 10 10 ADCEHN COc1ccc(C[NH+](C)C)c([O-])c1 142220486 168249698 /nfs/dbraw/zinc/24/96/98/168249698.db2.gz ATRAEXFNXQWTME-UHFFFAOYSA-N 0 3 181.235 1.462 10 10 ADCEHN COc1ccc([C@@H](C)[NH3+])c([O-])c1 20083503 168256702 /nfs/dbraw/zinc/25/67/02/168256702.db2.gz MUIJMEXMRKCHFK-ZCFIWIBFSA-N 0 3 167.208 1.421 10 10 ADCEHN COc1ccc([C@@H]2CCC[NH2+]2)c([O-])c1 40442618 168257506 /nfs/dbraw/zinc/25/75/06/168257506.db2.gz ZKIPVWCABMIZDR-JTQLQIEISA-N 0 3 193.246 1.825 10 10 ADCEHN COc1ccc([C@@H]2CC[NH2+]2)c([O-])c1O 39090512 168258059 /nfs/dbraw/zinc/25/80/59/168258059.db2.gz RLESZPUNNKZKKR-ZETCQYMHSA-N 0 3 195.218 1.141 10 10 ADCEHN COc1ccc([C@H]2CC[NH2+]2)c([O-])c1O 39090513 168259048 /nfs/dbraw/zinc/25/90/48/168259048.db2.gz RLESZPUNNKZKKR-SSDOTTSWSA-N 0 3 195.218 1.141 10 10 ADCEHN COc1ccc([C@H]2CCC[NH2+]2)c([O-])c1 72201650 168259581 /nfs/dbraw/zinc/25/95/81/168259581.db2.gz ZKIPVWCABMIZDR-SNVBAGLBSA-N 0 3 193.246 1.825 10 10 ADCEHN COc1ccc([C@H](C)[NH3+])c([O-])c1 20083506 168259758 /nfs/dbraw/zinc/25/97/58/168259758.db2.gz MUIJMEXMRKCHFK-LURJTMIESA-N 0 3 167.208 1.421 10 10 ADCEHN COc1ccc2c(c1)[C@@H](N)CN2C 19722009 168263169 /nfs/dbraw/zinc/26/31/69/168263169.db2.gz IIGSASBXGDCEEN-VIFPVBQESA-N 0 3 178.235 1.145 10 10 ADCEHN COc1ccc2c(c1[O-])[C@@H](C)[NH2+]CC2 6031912 168264358 /nfs/dbraw/zinc/26/43/58/168264358.db2.gz ABQXHDZNTSTAKX-SSDOTTSWSA-N 0 3 193.246 1.608 10 10 ADCEHN COc1ccc2c(c1[O-])[C@H](C)[NH2+]CC2 6067130 168264813 /nfs/dbraw/zinc/26/48/13/168264813.db2.gz ABQXHDZNTSTAKX-ZETCQYMHSA-N 0 3 193.246 1.608 10 10 ADCEHN COc1ccc2c(c1)[C@H](N)CN2C 19722007 168265237 /nfs/dbraw/zinc/26/52/37/168265237.db2.gz IIGSASBXGDCEEN-SECBINFHSA-N 0 3 178.235 1.145 10 10 ADCEHN COc1cccc([C@@H](C)[NH3+])c1[O-] 83591536 168270452 /nfs/dbraw/zinc/27/04/52/168270452.db2.gz WDDKVEAKUIBZEB-ZCFIWIBFSA-N 0 3 167.208 1.421 10 10 ADCEHN COc1cccc([O-])c1[C@@H](C)[NH3+] 34334225 168270494 /nfs/dbraw/zinc/27/04/94/168270494.db2.gz RAUUSAQUBYOICH-ZCFIWIBFSA-N 0 3 167.208 1.421 10 10 ADCEHN COc1cccc([O-])c1[C@@H]1CCC[NH2+]1 72201653 168270565 /nfs/dbraw/zinc/27/05/65/168270565.db2.gz MSXRQGPMTQJMGN-QMMMGPOBSA-N 0 3 193.246 1.825 10 10 ADCEHN COc1cccc([O-])c1[C@H]1CCC[NH2+]1 72201654 168270688 /nfs/dbraw/zinc/27/06/88/168270688.db2.gz MSXRQGPMTQJMGN-MRVPVSSYSA-N 0 3 193.246 1.825 10 10 ADCEHN COc1cccc([C@H](C)[NH3+])c1[O-] 83591533 168272647 /nfs/dbraw/zinc/27/26/47/168272647.db2.gz WDDKVEAKUIBZEB-LURJTMIESA-N 0 3 167.208 1.421 10 10 ADCEHN CSc1ccc([O-])c([C@@H]([NH3+])CO)c1 72197871 168310559 /nfs/dbraw/zinc/31/05/59/168310559.db2.gz XTXQMSMDITWIDH-QMMMGPOBSA-N 0 3 199.275 1.106 10 10 ADCEHN CSc1ccc([O-])c(C[NH3+])c1 95720096 168310698 /nfs/dbraw/zinc/31/06/98/168310698.db2.gz QNWNAFDJOVSSLX-UHFFFAOYSA-N 0 3 169.249 1.573 10 10 ADCEHN CSc1ccc([O-])c([C@H]([NH3+])CN)c1 72200539 168310865 /nfs/dbraw/zinc/31/08/65/168310865.db2.gz WQGPZSLJOSJOKV-MRVPVSSYSA-N 0 3 198.291 1.073 10 10 ADCEHN CSc1ccc([O-])c([C@@H]([NH3+])CN)c1 72200540 168311277 /nfs/dbraw/zinc/31/12/77/168311277.db2.gz WQGPZSLJOSJOKV-QMMMGPOBSA-N 0 3 198.291 1.073 10 10 ADCEHN CSc1ccc([O-])c([C@H]([NH3+])CO)c1 72197870 168311349 /nfs/dbraw/zinc/31/13/49/168311349.db2.gz XTXQMSMDITWIDH-MRVPVSSYSA-N 0 3 199.275 1.106 10 10 ADCEHN CSc1cccc([C@H]([NH3+])CN)c1[O-] 72200537 168311940 /nfs/dbraw/zinc/31/19/40/168311940.db2.gz WDOOQEHCMHAQOI-SSDOTTSWSA-N 0 3 198.291 1.073 10 10 ADCEHN CSc1cccc(C[NH3+])c1[O-] 95722641 168312718 /nfs/dbraw/zinc/31/27/18/168312718.db2.gz XMVVQPDGCGWYDP-UHFFFAOYSA-N 0 3 169.249 1.573 10 10 ADCEHN CSc1cccc([O-])c1C[NH3+] 95721166 168313014 /nfs/dbraw/zinc/31/30/14/168313014.db2.gz XJXIOJZOJMSSCF-UHFFFAOYSA-N 0 3 169.249 1.573 10 10 ADCEHN CSc1cccc([C@@H]([NH3+])CN)c1[O-] 72200538 168313214 /nfs/dbraw/zinc/31/32/14/168313214.db2.gz WDOOQEHCMHAQOI-ZETCQYMHSA-N 0 3 198.291 1.073 10 10 ADCEHN C[C@@H]([NH3+])c1ccc(O)cc1[O-] 21954922 168370742 /nfs/dbraw/zinc/37/07/42/168370742.db2.gz LZCUUHPBCGKQAH-RXMQYKEDSA-N 0 3 153.181 1.118 10 10 ADCEHN C[C@@H]([NH3+])c1cccc(O)c1[O-] 38881983 168372947 /nfs/dbraw/zinc/37/29/47/168372947.db2.gz ZJUJGYBNARNPJZ-RXMQYKEDSA-N 0 3 153.181 1.118 10 10 ADCEHN C[C@@H]([NH2+]C1CC1)c1cc(O)ccc1[O-] 21961236 168379075 /nfs/dbraw/zinc/37/90/75/168379075.db2.gz DEFYFDXLSWJMDD-SSDOTTSWSA-N 0 3 193.246 1.911 10 10 ADCEHN C[C@@H]([NH2+]C1CC1)c1ccc(O)cc1[O-] 22149301 168379569 /nfs/dbraw/zinc/37/95/69/168379569.db2.gz GJUXEXSXDOKFSU-SSDOTTSWSA-N 0 3 193.246 1.911 10 10 ADCEHN C[C@@H]1C[C@@H]1NCc1ccc(O)c(O)c1 52269978 168470526 /nfs/dbraw/zinc/47/05/26/168470526.db2.gz YEXNWPOZMSETPF-APPZFPTMSA-N 0 3 193.246 1.596 10 10 ADCEHN C[C@H]1C[C@@H]1[NH2+]Cc1cccc(O)c1[O-] 52275163 168655399 /nfs/dbraw/zinc/65/53/99/168655399.db2.gz YTKFHQVGWXMFDL-CBAPKCEASA-N 0 3 193.246 1.596 10 10 ADCEHN Cc1cc([O-])c([C@H]([NH3+])CCO)cc1C 82907419 168773924 /nfs/dbraw/zinc/77/39/24/168773924.db2.gz RYAWRWQYMNJECT-SNVBAGLBSA-N 0 3 195.262 1.391 10 10 ADCEHN Cc1ccc(C)c([C@H]([NH3+])CCO)c1[O-] 82907439 168806153 /nfs/dbraw/zinc/80/61/53/168806153.db2.gz SKJZOQFVJSLTNO-SECBINFHSA-N 0 3 195.262 1.391 10 10 ADCEHN Cc1ccc(C[NH2+]C2CC2)c([O-])c1 83340314 168813394 /nfs/dbraw/zinc/81/33/94/168813394.db2.gz MNJDVNLGYAHILA-UHFFFAOYSA-N 0 3 177.247 1.953 10 10 ADCEHN Cc1ccc([C@@H]([NH3+])CO)c([O-])c1C 72197451 168834484 /nfs/dbraw/zinc/83/44/84/168834484.db2.gz MMHDHXSMJNTVTJ-VIFPVBQESA-N 0 3 181.235 1.001 10 10 ADCEHN Cn1c(=[N+]=[N-])sc2ccccc21 39118953 169031109 /nfs/dbraw/zinc/03/11/09/169031109.db2.gz NIIKWKFWSHTZSS-UHFFFAOYSA-N 0 3 177.232 1.370 10 10 ADCEHN Cn1ccnc1Nc1ccc(N)cc1 50605515 169054487 /nfs/dbraw/zinc/05/44/87/169054487.db2.gz JVVHHVKBYCFUNY-UHFFFAOYSA-N 0 3 188.234 1.746 10 10 ADCEHN [N-]=[N+]=CC(=O)Cc1ccccc1 96297828 169144765 /nfs/dbraw/zinc/14/47/65/169144765.db2.gz ASYKOJLVUNAANS-UHFFFAOYSA-N 0 3 161.184 1.108 10 10 ADCEHN [N-]=[N+]=c1c(=O)c2cccc3cccc1c32 96299933 169144803 /nfs/dbraw/zinc/14/48/03/169144803.db2.gz WTSFKACDPYGPOE-UHFFFAOYSA-N 0 3 195.201 1.369 10 10 ADCEHN [NH3+]CCc1c[nH]c2c(O)c([O-])ccc12 2005702 169196111 /nfs/dbraw/zinc/19/61/11/169196111.db2.gz JPQILYNPNMIPHV-UHFFFAOYSA-N 0 3 192.218 1.080 10 10 ADCEHN [NH3+]CCc1c[nH]c2ccc(O)c([O-])c12 6091793 169196423 /nfs/dbraw/zinc/19/64/23/169196423.db2.gz HKPREGWFNPFQEA-UHFFFAOYSA-N 0 3 192.218 1.080 10 10 ADCEHN [NH3+]CCc1ccc(O)c([O-])c1Cl 6091739 169198188 /nfs/dbraw/zinc/19/81/88/169198188.db2.gz QJFLNNIHWWVCFG-UHFFFAOYSA-N 0 3 187.626 1.252 10 10 ADCEHN [NH3+]Cc1cc(CC2CC2)ccc1[O-] 95721934 169219250 /nfs/dbraw/zinc/21/92/50/169219250.db2.gz XSVUBFDQQUEKTK-UHFFFAOYSA-N 0 3 177.247 1.803 10 10 ADCEHN [NH3+]Cc1c([O-])cccc1OCC1CC1 95721207 169219367 /nfs/dbraw/zinc/21/93/67/169219367.db2.gz YNWSXBMUNADLTQ-UHFFFAOYSA-N 0 3 193.246 1.640 10 10 ADCEHN [NH3+]Cc1cc(OCC2CC2)ccc1[O-] 95722674 169220203 /nfs/dbraw/zinc/22/02/03/169220203.db2.gz AXMBRQYMMFFAGV-UHFFFAOYSA-N 0 3 193.246 1.640 10 10 ADCEHN [NH3+]Cc1cc(O)c2ccccc2c1[O-] 83341431 169220437 /nfs/dbraw/zinc/22/04/37/169220437.db2.gz IGHNAALCBLYMJY-UHFFFAOYSA-N 0 3 189.214 1.710 10 10 ADCEHN [NH3+]Cc1ccc(CC2CC2)cc1[O-] 95719505 169222530 /nfs/dbraw/zinc/22/25/30/169222530.db2.gz BAKRFHADCNSAFJ-UHFFFAOYSA-N 0 3 177.247 1.803 10 10 ADCEHN [NH3+]Cc1ccc(OCC2CC2)cc1[O-] 95720742 169223164 /nfs/dbraw/zinc/22/31/64/169223164.db2.gz GRTIWIMVTIJMKB-UHFFFAOYSA-N 0 3 193.246 1.640 10 10 ADCEHN [NH3+]Cc1cccc(OCC2CC2)c1[O-] 95723785 169224491 /nfs/dbraw/zinc/22/44/91/169224491.db2.gz WCDMTEKJIIMSDS-UHFFFAOYSA-N 0 3 193.246 1.640 10 10 ADCEHN Nc1cc(F)c([O-])c([C@H]2CCC[NH2+]2)c1 72201722 169286067 /nfs/dbraw/zinc/28/60/67/169286067.db2.gz CHHLASSXCOGPSZ-SECBINFHSA-N 0 3 196.225 1.538 10 10 ADCEHN Nc1cc(F)cc([C@@H]2CCC[NH2+]2)c1[O-] 72201723 169286135 /nfs/dbraw/zinc/28/61/35/169286135.db2.gz NOVKFAFUCUSUEM-VIFPVBQESA-N 0 3 196.225 1.538 10 10 ADCEHN Nc1cc(F)cc([C@H]2CCC[NH2+]2)c1[O-] 72201724 169286496 /nfs/dbraw/zinc/28/64/96/169286496.db2.gz NOVKFAFUCUSUEM-SECBINFHSA-N 0 3 196.225 1.538 10 10 ADCEHN Nc1cc(F)c([O-])c([C@@H]2CCC[NH2+]2)c1 72201721 169286624 /nfs/dbraw/zinc/28/66/24/169286624.db2.gz CHHLASSXCOGPSZ-VIFPVBQESA-N 0 3 196.225 1.538 10 10 ADCEHN Nc1cc([C@H]2CCC[NH2+]2)c([O-])cc1F 72201720 169287581 /nfs/dbraw/zinc/28/75/81/169287581.db2.gz CEWUBYLDFZDRLX-SECBINFHSA-N 0 3 196.225 1.538 10 10 ADCEHN Nc1cc([C@@H]2CCC[NH2+]2)c([O-])cc1F 72201719 169287760 /nfs/dbraw/zinc/28/77/60/169287760.db2.gz CEWUBYLDFZDRLX-VIFPVBQESA-N 0 3 196.225 1.538 10 10 ADCEHN Nc1ccc(-n2ccnc2N)cc1 75843678 169290041 /nfs/dbraw/zinc/29/00/41/169290041.db2.gz DJZWLXGRXKTVGA-UHFFFAOYSA-N 0 3 174.207 1.037 10 10 ADCEHN Nc1ccc(CN2CCC2)cc1 39081728 169290832 /nfs/dbraw/zinc/29/08/32/169290832.db2.gz MQWIENFKSMUTOO-UHFFFAOYSA-N 0 3 162.236 1.475 10 10 ADCEHN [O-]c1ccc(CO)cc1[C@H]1CCC[NH2+]1 72201647 169438237 /nfs/dbraw/zinc/43/82/37/169438237.db2.gz YKNQGURREIULTQ-SNVBAGLBSA-N 0 3 193.246 1.309 10 10 ADCEHN [O-]c1ccccc1C[NH2+]CC1CC1 19884743 169460009 /nfs/dbraw/zinc/46/00/09/169460009.db2.gz XGXVBONEYPBEEO-UHFFFAOYSA-N 0 3 177.247 1.892 10 10 ADCEHN Oc1ccc(CNC2CC2)cc1O 21962211 171041109 /nfs/dbraw/zinc/04/11/09/171041109.db2.gz ZZOZGLRCYHTTJN-UHFFFAOYSA-N 0 3 179.219 1.350 10 10 ADCEHN [O-]c1cc(O)ccc1C[NH2+]C1CC1 21963249 171041276 /nfs/dbraw/zinc/04/12/76/171041276.db2.gz OUUXRCUBNJLXTI-UHFFFAOYSA-N 0 3 179.219 1.350 10 10 ADCEHN COc1ccc([O-])c(C[NH+](C)C)c1 39246843 171077593 /nfs/dbraw/zinc/07/75/93/171077593.db2.gz DALDKLLZFGAGLB-UHFFFAOYSA-N 0 3 181.235 1.462 10 10 ADCEHN COc1ccc(O)c(CN(C)C)c1 39246843 171077594 /nfs/dbraw/zinc/07/75/94/171077594.db2.gz DALDKLLZFGAGLB-UHFFFAOYSA-N 0 3 181.235 1.462 10 10 ADCEHN [O-]c1ccc(F)cc1[C@@H]1CCC[NH2+]1 40442615 171080445 /nfs/dbraw/zinc/08/04/45/171080445.db2.gz PIHKPXDJNMQHGB-VIFPVBQESA-N 0 3 181.210 1.956 10 10 ADCEHN [O-]c1c(O)cccc1C[NH2+]C1CC1 41049362 171082468 /nfs/dbraw/zinc/08/24/68/171082468.db2.gz VFTVWIDFJVUELE-UHFFFAOYSA-N 0 3 179.219 1.350 10 10 ADCEHN [O-]c1cc(O)ccc1C[NH2+]C1CCC1 52207332 171097458 /nfs/dbraw/zinc/09/74/58/171097458.db2.gz DRAIIRWBEULDKY-UHFFFAOYSA-N 0 3 193.246 1.740 10 10 ADCEHN [O-]c1c(O)cccc1C[NH2+]C1CCC1 52208772 171097701 /nfs/dbraw/zinc/09/77/01/171097701.db2.gz FQUOWLOGEIQEIW-UHFFFAOYSA-N 0 3 193.246 1.740 10 10 ADCEHN CC(C)c1cccc([C@H]([NH3+])CO)c1[O-] 72197759 171108956 /nfs/dbraw/zinc/10/89/56/171108956.db2.gz HFHUJDKFSPZZGJ-SNVBAGLBSA-N 0 3 195.262 1.508 10 10 ADCEHN Nc1ccc(F)c([C@@H]2CCC[NH2+]2)c1[O-] 72201725 171108975 /nfs/dbraw/zinc/10/89/75/171108975.db2.gz VNWVEDHDYXFXBE-QMMMGPOBSA-N 0 3 196.225 1.538 10 10 ADCEHN CC(C)c1cccc([C@H]([NH3+])CN)c1[O-] 72200427 171109029 /nfs/dbraw/zinc/10/90/29/171109029.db2.gz QCLPTQGWISOVEZ-SNVBAGLBSA-N 0 3 194.278 1.474 10 10 ADCEHN [O-]c1cccc(O)c1[C@H]1CCC[NH2+]1 72201509 171109086 /nfs/dbraw/zinc/10/90/86/171109086.db2.gz NNNRSRBHMRNTCV-SSDOTTSWSA-N 0 3 179.219 1.522 10 10 ADCEHN CC(C)c1cccc([C@@H]([NH3+])CN)c1[O-] 72200428 171109341 /nfs/dbraw/zinc/10/93/41/171109341.db2.gz QCLPTQGWISOVEZ-JTQLQIEISA-N 0 3 194.278 1.474 10 10 ADCEHN Nc1ccc(F)c([C@H]2CCC[NH2+]2)c1[O-] 72201726 171109381 /nfs/dbraw/zinc/10/93/81/171109381.db2.gz VNWVEDHDYXFXBE-MRVPVSSYSA-N 0 3 196.225 1.538 10 10 ADCEHN CC(C)c1cccc([C@@H]([NH3+])CO)c1[O-] 72197760 171109424 /nfs/dbraw/zinc/10/94/24/171109424.db2.gz HFHUJDKFSPZZGJ-JTQLQIEISA-N 0 3 195.262 1.508 10 10 ADCEHN [O-]c1cccc(O)c1[C@@H]1CCC[NH2+]1 72201508 171109470 /nfs/dbraw/zinc/10/94/70/171109470.db2.gz NNNRSRBHMRNTCV-ZETCQYMHSA-N 0 3 179.219 1.522 10 10 ADCEHN [O-]c1ccc(F)cc1[C@H]1CCC[NH2+]1 72201540 171109491 /nfs/dbraw/zinc/10/94/91/171109491.db2.gz PIHKPXDJNMQHGB-SECBINFHSA-N 0 3 181.210 1.956 10 10 ADCEHN [O-]c1c(C[NH2+]C2CC2)ccc(O)c1O 83342227 171130806 /nfs/dbraw/zinc/13/08/06/171130806.db2.gz AKVMNBFETITVJM-UHFFFAOYSA-N 0 3 195.218 1.055 10 10 ADCEHN [O-]c1ccc(O)cc1C[NH2+]C1CC1 83340377 171130891 /nfs/dbraw/zinc/13/08/91/171130891.db2.gz MEZKWMYIJUQGJK-UHFFFAOYSA-N 0 3 179.219 1.350 10 10 ADCEHN CC(C)c1cccc([O-])c1C[NH3+] 95723226 171137243 /nfs/dbraw/zinc/13/72/43/171137243.db2.gz ZFGHTWYILRJVIH-UHFFFAOYSA-N 0 3 165.236 1.974 10 10 ADCEHN CC(C)c1cccc(C[NH3+])c1[O-] 95720795 171137299 /nfs/dbraw/zinc/13/72/99/171137299.db2.gz PLTVBPVLEMNSSO-UHFFFAOYSA-N 0 3 165.236 1.974 10 10 ADCEHN [O-]c1c(O)cccc1C[NH2+]CC1CC1 41049381 171145440 /nfs/dbraw/zinc/14/54/40/171145440.db2.gz VJBIZJCKVDAESW-UHFFFAOYSA-N 0 3 193.246 1.597 10 10 ADCEHN [NH3+]C1(c2ccccc2[O-])CCC1 82850715 171176704 /nfs/dbraw/zinc/17/67/04/171176704.db2.gz XZSYKGIGWWGYBT-UHFFFAOYSA-N 0 3 163.220 1.730 10 10 ADCEHN Cc1cccc([C@H]([NH3+])CF)c1[O-] 238546776 344812159 /nfs/dbraw/zinc/81/21/59/344812159.db2.gz QUEZFVVPHHNKBA-MRVPVSSYSA-N 0 3 169.199 1.670 10 10 ADCEHN Cc1cccc([C@@H]([NH3+])CF)c1[O-] 238543094 344812161 /nfs/dbraw/zinc/81/21/61/344812161.db2.gz QUEZFVVPHHNKBA-QMMMGPOBSA-N 0 3 169.199 1.670 10 10 ADCEHN [O-]c1c(O)cccc1[C@@H]1CCC[NH2+]1 238682193 344818615 /nfs/dbraw/zinc/81/86/15/344818615.db2.gz PBMLOOHVYDGHPK-QMMMGPOBSA-N 0 3 179.219 1.522 10 10 ADCEHN Nc1c(F)ccc([C@H]2CC[NH2+]2)c1[O-] 306592570 345469901 /nfs/dbraw/zinc/46/99/01/345469901.db2.gz ZRYPIQAFZAUHDR-SSDOTTSWSA-N 0 3 182.198 1.148 10 10 ADCEHN C[NH+](C)[C@@H]1CCc2cccc([O-])c21 257902720 351854853 /nfs/dbraw/zinc/85/48/53/351854853.db2.gz PDHFCLQGDZUWIZ-SECBINFHSA-N 0 3 177.247 1.941 10 10 ADCEHN Cc1cccc(C[NH+](C)C)c1[O-] 6071716 343012754 /nfs/dbraw/zinc/01/27/54/343012754.db2.gz ADODSZXYDVUXTG-UHFFFAOYSA-N 0 3 165.236 1.762 10 10 ADCEHN CC1=NCCN1c1ccc(N)cc1 11847805 343025799 /nfs/dbraw/zinc/02/57/99/343025799.db2.gz GOFJZMXUIIIWEW-UHFFFAOYSA-N 0 3 175.235 1.507 10 10 ADCEHN CN(C)CCN(C)c1ccc(N)cc1 19730733 343059561 /nfs/dbraw/zinc/05/95/61/343059561.db2.gz BXIJUQJYXZCOFB-UHFFFAOYSA-N 0 3 193.294 1.267 10 10 ADCEHN C[C@H]([NH3+])c1ccc(O)cc1[O-] 21954926 343076430 /nfs/dbraw/zinc/07/64/30/343076430.db2.gz LZCUUHPBCGKQAH-YFKPBYRVSA-N 0 3 153.181 1.118 10 10 ADCEHN C[C@H]([NH2+]C1CC1)c1ccc(O)cc1[O-] 22149305 343079677 /nfs/dbraw/zinc/07/96/77/343079677.db2.gz GJUXEXSXDOKFSU-ZETCQYMHSA-N 0 3 193.246 1.911 10 10 ADCEHN Cc1ccc([O-])c([C@@H](C)[NH3+])c1 24863141 343086510 /nfs/dbraw/zinc/08/65/10/343086510.db2.gz WZNMCVYFCNZJBV-SSDOTTSWSA-N 0 3 151.209 1.720 10 10 ADCEHN Cc1ccc([O-])c([C@H](C)[NH3+])c1 24863145 343086544 /nfs/dbraw/zinc/08/65/44/343086544.db2.gz WZNMCVYFCNZJBV-ZETCQYMHSA-N 0 3 151.209 1.720 10 10 ADCEHN Cc1cccc([C@@H](C)[NH3+])c1[O-] 34349795 343117070 /nfs/dbraw/zinc/11/70/70/343117070.db2.gz ASHASMPKPHWKEJ-SSDOTTSWSA-N 0 3 151.209 1.720 10 10 ADCEHN C[C@H]([NH3+])c1cccc(O)c1[O-] 38881981 343191485 /nfs/dbraw/zinc/19/14/85/343191485.db2.gz ZJUJGYBNARNPJZ-YFKPBYRVSA-N 0 3 153.181 1.118 10 10 ADCEHN Cc1ccc([O-])c(C[NH+](C)C)c1 39988300 343214971 /nfs/dbraw/zinc/21/49/71/343214971.db2.gz HYVZRUQCAHFECM-UHFFFAOYSA-N 0 3 165.236 1.762 10 10 ADCEHN CC(C)[NH2+]Cc1cccc(O)c1[O-] 41049374 343227252 /nfs/dbraw/zinc/22/72/52/343227252.db2.gz KLPZWIADNVISTE-UHFFFAOYSA-N 0 3 181.235 1.596 10 10 ADCEHN CN1CC[C@H](Nc2ccccc2N)C1 42545140 343245488 /nfs/dbraw/zinc/24/54/88/343245488.db2.gz CIVXAZAOVVPWJH-VIFPVBQESA-N 0 3 191.278 1.385 10 10 ADCEHN CN1CC[C@@H](Nc2ccccc2N)C1 42545142 343245550 /nfs/dbraw/zinc/24/55/50/343245550.db2.gz CIVXAZAOVVPWJH-SECBINFHSA-N 0 3 191.278 1.385 10 10 ADCEHN Cc1cccc([C@@H]([NH3+])CCO)c1[O-] 44233874 343262648 /nfs/dbraw/zinc/26/26/48/343262648.db2.gz BPNSDNLAYHQURX-VIFPVBQESA-N 0 3 181.235 1.083 10 10 ADCEHN Cc1ccc([O-])c([C@H]([NH3+])CCO)c1 44234136 343262776 /nfs/dbraw/zinc/26/27/76/343262776.db2.gz NKMOFMVSAZXLKV-SECBINFHSA-N 0 3 181.235 1.083 10 10 ADCEHN Cc1cccc([C@H]([NH3+])CCO)c1[O-] 44233871 343262793 /nfs/dbraw/zinc/26/27/93/343262793.db2.gz BPNSDNLAYHQURX-SECBINFHSA-N 0 3 181.235 1.083 10 10 ADCEHN Cc1ccc([C@H]([NH3+])CCO)c([O-])c1 44234189 343262834 /nfs/dbraw/zinc/26/28/34/343262834.db2.gz MBCMJHMGCCCCKH-SECBINFHSA-N 0 3 181.235 1.083 10 10 ADCEHN Cc1ccc([O-])c([C@@H]([NH3+])CCO)c1 44234140 343262863 /nfs/dbraw/zinc/26/28/63/343262863.db2.gz NKMOFMVSAZXLKV-VIFPVBQESA-N 0 3 181.235 1.083 10 10 ADCEHN Cc1cc(F)cc([C@H]([NH3+])CCO)c1[O-] 44236077 343262898 /nfs/dbraw/zinc/26/28/98/343262898.db2.gz YIHQSAYSLSWYHM-SECBINFHSA-N 0 3 199.225 1.222 10 10 ADCEHN Cc1ccc([C@@H]([NH3+])CCO)c([O-])c1 44234193 343262906 /nfs/dbraw/zinc/26/29/06/343262906.db2.gz MBCMJHMGCCCCKH-VIFPVBQESA-N 0 3 181.235 1.083 10 10 ADCEHN Cc1cc(F)cc([C@@H]([NH3+])CCO)c1[O-] 44236081 343262916 /nfs/dbraw/zinc/26/29/16/343262916.db2.gz YIHQSAYSLSWYHM-VIFPVBQESA-N 0 3 199.225 1.222 10 10 ADCEHN C[C@H]1C[C@H]1NCc1ccc(O)c(O)c1 52269985 343302993 /nfs/dbraw/zinc/30/29/93/343302993.db2.gz YEXNWPOZMSETPF-IONNQARKSA-N 0 3 193.246 1.596 10 10 ADCEHN C[C@H]1C[C@@H]1NCc1ccc(O)c(O)c1 52269980 343303147 /nfs/dbraw/zinc/30/31/47/343303147.db2.gz YEXNWPOZMSETPF-CBAPKCEASA-N 0 3 193.246 1.596 10 10 ADCEHN C[C@H]1C[C@@H]1[NH2+]Cc1ccccc1[O-] 52270155 343303329 /nfs/dbraw/zinc/30/33/29/343303329.db2.gz ZVJGETUPDZHEDF-WPRPVWTQSA-N 0 3 177.247 1.890 10 10 ADCEHN C[C@H]1C[C@H]1[NH2+]Cc1ccccc1[O-] 52270162 343303496 /nfs/dbraw/zinc/30/34/96/343303496.db2.gz ZVJGETUPDZHEDF-WCBMZHEXSA-N 0 3 177.247 1.890 10 10 ADCEHN C[C@H]1C[C@H]1[NH2+]Cc1cccc(O)c1[O-] 52275167 343303800 /nfs/dbraw/zinc/30/38/00/343303800.db2.gz YTKFHQVGWXMFDL-IONNQARKSA-N 0 3 193.246 1.596 10 10 ADCEHN Cc1cccc([O-])c1C[NH3+] 60287260 343352687 /nfs/dbraw/zinc/35/26/87/343352687.db2.gz LYLCGCZMEWUTSY-UHFFFAOYSA-N 0 3 137.182 1.159 10 10 ADCEHN CCc1cccc([O-])c1C[NH3+] 79057842 343586142 /nfs/dbraw/zinc/58/61/42/343586142.db2.gz NTFGDGQCDKKZFZ-UHFFFAOYSA-N 0 3 151.209 1.413 10 10 ADCEHN CC[C@@H]([NH3+])c1cc(OC)ccc1[O-] 71455048 343552837 /nfs/dbraw/zinc/55/28/37/343552837.db2.gz NBBHZBBXSIIXGL-SECBINFHSA-N 0 3 181.235 1.811 10 10 ADCEHN CC[C@@H]([NH3+])c1c([O-])cc(O)cc1O 71452056 343552856 /nfs/dbraw/zinc/55/28/56/343552856.db2.gz KKVRSRPNXFPLFF-ZCFIWIBFSA-N 0 3 183.207 1.213 10 10 ADCEHN CC[C@H]([NH3+])c1c([O-])cc(O)cc1O 71452055 343552915 /nfs/dbraw/zinc/55/29/15/343552915.db2.gz KKVRSRPNXFPLFF-LURJTMIESA-N 0 3 183.207 1.213 10 10 ADCEHN CC[C@@H]([NH3+])c1ccc(O)cc1[O-] 71451974 343552990 /nfs/dbraw/zinc/55/29/90/343552990.db2.gz TTYGMYYRVPGRKW-MRVPVSSYSA-N 0 3 167.208 1.508 10 10 ADCEHN CC[C@H]([NH3+])c1ccc(O)c(O)c1[O-] 71452010 343553008 /nfs/dbraw/zinc/55/30/08/343553008.db2.gz GDOTYBGVLHJORD-LURJTMIESA-N 0 3 183.207 1.213 10 10 ADCEHN CC[C@H]([NH3+])c1ccc(O)cc1[O-] 71451973 343553028 /nfs/dbraw/zinc/55/30/28/343553028.db2.gz TTYGMYYRVPGRKW-QMMMGPOBSA-N 0 3 167.208 1.508 10 10 ADCEHN CC[C@H]([NH3+])c1cc(OC)ccc1[O-] 71455047 343553101 /nfs/dbraw/zinc/55/31/01/343553101.db2.gz NBBHZBBXSIIXGL-VIFPVBQESA-N 0 3 181.235 1.811 10 10 ADCEHN CC[C@H](C)[NH2+]Cc1cc(O)ccc1[O-] 83342284 343618721 /nfs/dbraw/zinc/61/87/21/343618721.db2.gz BGDMJTPIDNOWNL-QMMMGPOBSA-N 0 3 195.262 1.986 10 10 ADCEHN CC1CN(Cc2ccc(N)cc2)C1 86687968 343654006 /nfs/dbraw/zinc/65/40/06/343654006.db2.gz GILOYSDXLUYOQF-UHFFFAOYSA-N 0 3 176.263 1.721 10 10 ADCEHN CC[C@@H]([NH3+])c1ccc(OC)cc1[O-] 95659624 343685441 /nfs/dbraw/zinc/68/54/41/343685441.db2.gz PYJBWYISTFKUKU-SECBINFHSA-N 0 3 181.235 1.811 10 10 ADCEHN CN(C)c1ccc2c(c1)CNC2 144897766 344030465 /nfs/dbraw/zinc/03/04/65/344030465.db2.gz HFWZIPSAJZMNML-UHFFFAOYSA-N 0 3 162.236 1.356 10 10 ADCEHN CN(c1ccc(CN)c(F)c1)C1CC1 168967956 344341504 /nfs/dbraw/zinc/34/15/04/344341504.db2.gz RCFBIDYODFQXLH-UHFFFAOYSA-N 0 3 194.253 1.883 10 10 ADCEHN CCN(C)c1ccc(CN)c(F)c1 168967749 344341697 /nfs/dbraw/zinc/34/16/97/344341697.db2.gz LDPLDJDYEIGLOJ-UHFFFAOYSA-N 0 3 182.242 1.741 10 10 ADCEHN CN(C)c1ccc2c(c1)CNCCO2 169792868 344352213 /nfs/dbraw/zinc/35/22/13/344352213.db2.gz IQMPIVUPPKLGPC-UHFFFAOYSA-N 0 3 192.262 1.235 10 10 ADCEHN C[NH2+][C@H](C)c1c([O-])cccc1O 221208630 344439440 /nfs/dbraw/zinc/43/94/40/344439440.db2.gz BMRLFBXZNOJTGU-ZCFIWIBFSA-N 0 3 167.208 1.378 10 10 ADCEHN C[NH2+][C@@H](C)c1c([O-])cccc1O 221208577 344439566 /nfs/dbraw/zinc/43/95/66/344439566.db2.gz BMRLFBXZNOJTGU-LURJTMIESA-N 0 3 167.208 1.378 10 10 ADCEHN C[NH2+]Cc1c([O-])cccc1OC 221208504 344439774 /nfs/dbraw/zinc/43/97/74/344439774.db2.gz VMCRCSKFSHGQLM-UHFFFAOYSA-N 0 3 167.208 1.120 10 10 ADCEHN CCNC(=[NH2+])c1ccc([O-])c(O)c1 233492773 344702575 /nfs/dbraw/zinc/70/25/75/344702575.db2.gz DWSPUKGNYFOHPM-UHFFFAOYSA-N 0 3 180.207 1.033 10 10 ADCEHN CCNC(=[NH2+])c1ccc(O)c([O-])c1 233492773 344702577 /nfs/dbraw/zinc/70/25/77/344702577.db2.gz DWSPUKGNYFOHPM-UHFFFAOYSA-N 0 3 180.207 1.033 10 10 ADCEHN CN(C)c1ccc(CN)c(F)c1F 234273132 344716354 /nfs/dbraw/zinc/71/63/54/344716354.db2.gz HAJJIMIJQPOLMJ-UHFFFAOYSA-N 0 3 186.205 1.490 10 10 ADCEHN C[C@H](c1c([O-])cccc1O)[NH+](C)C 235148891 344734446 /nfs/dbraw/zinc/73/44/46/344734446.db2.gz GRNVNXJFJVEKBD-SSDOTTSWSA-N 0 3 181.235 1.720 10 10 ADCEHN C[C@@H](c1c([O-])cccc1O)[NH+](C)C 235494219 344751767 /nfs/dbraw/zinc/75/17/67/344751767.db2.gz GRNVNXJFJVEKBD-ZETCQYMHSA-N 0 3 181.235 1.720 10 10 ADCEHN COc1cccc([C@@H](N)CF)c1O 238389224 344804623 /nfs/dbraw/zinc/80/46/23/344804623.db2.gz VJBIJTGOCIVMTA-ZETCQYMHSA-N 0 3 185.198 1.370 10 10 ADCEHN COc1cccc([C@@H]([NH3+])CF)c1[O-] 238389224 344804624 /nfs/dbraw/zinc/80/46/24/344804624.db2.gz VJBIJTGOCIVMTA-ZETCQYMHSA-N 0 3 185.198 1.370 10 10 ADCEHN COc1cccc([C@H](N)CF)c1O 238393553 344805108 /nfs/dbraw/zinc/80/51/08/344805108.db2.gz VJBIJTGOCIVMTA-SSDOTTSWSA-N 0 3 185.198 1.370 10 10 ADCEHN COc1cccc([C@H]([NH3+])CF)c1[O-] 238393553 344805110 /nfs/dbraw/zinc/80/51/10/344805110.db2.gz VJBIJTGOCIVMTA-SSDOTTSWSA-N 0 3 185.198 1.370 10 10 ADCEHN COc1cccc([C@@H]2CCC[NH2+]2)c1[O-] 238404303 344805672 /nfs/dbraw/zinc/80/56/72/344805672.db2.gz KFDYQIWYVJNJQI-VIFPVBQESA-N 0 3 193.246 1.825 10 10 ADCEHN Cc1cc(F)cc([C@H]([NH3+])CF)c1[O-] 238529318 344811073 /nfs/dbraw/zinc/81/10/73/344811073.db2.gz GWSJSEZZJQBJFO-MRVPVSSYSA-N 0 3 187.189 1.809 10 10 ADCEHN Cc1cc(F)cc([C@@H]([NH3+])CF)c1[O-] 238528992 344811262 /nfs/dbraw/zinc/81/12/62/344811262.db2.gz GWSJSEZZJQBJFO-QMMMGPOBSA-N 0 3 187.189 1.809 10 10 ADCEHN [O-]c1c(O)cccc1[C@H]1CCC[NH2+]1 238683860 344819084 /nfs/dbraw/zinc/81/90/84/344819084.db2.gz PBMLOOHVYDGHPK-MRVPVSSYSA-N 0 3 179.219 1.522 10 10 ADCEHN [O-]c1cc(O)cc(O)c1[C@@H]1CCC[NH2+]1 238719490 344821670 /nfs/dbraw/zinc/82/16/70/344821670.db2.gz OPYPJLMPVHGNLG-ZETCQYMHSA-N 0 3 195.218 1.228 10 10 ADCEHN [O-]c1cc(O)cc(O)c1[C@H]1CCC[NH2+]1 238719604 344821736 /nfs/dbraw/zinc/82/17/36/344821736.db2.gz OPYPJLMPVHGNLG-SSDOTTSWSA-N 0 3 195.218 1.228 10 10 ADCEHN [O-]c1ccc(O)cc1[C@H]1CCC[NH2+]1 238728191 344822352 /nfs/dbraw/zinc/82/23/52/344822352.db2.gz WXNTXIVUHNSXSK-SECBINFHSA-N 0 3 179.219 1.522 10 10 ADCEHN [O-]c1c([C@H]2CCC[NH2+]2)ccc(O)c1O 238729386 344822395 /nfs/dbraw/zinc/82/23/95/344822395.db2.gz MEMAKAUPESDJMN-SSDOTTSWSA-N 0 3 195.218 1.228 10 10 ADCEHN [O-]c1c([C@@H]2CCC[NH2+]2)ccc(O)c1O 238728708 344822496 /nfs/dbraw/zinc/82/24/96/344822496.db2.gz MEMAKAUPESDJMN-ZETCQYMHSA-N 0 3 195.218 1.228 10 10 ADCEHN [O-]c1ccc(O)cc1[C@@H]1CCC[NH2+]1 238728156 344822551 /nfs/dbraw/zinc/82/25/51/344822551.db2.gz WXNTXIVUHNSXSK-VIFPVBQESA-N 0 3 179.219 1.522 10 10 ADCEHN Cc1cccc(C[NH+]2CCC2)c1[O-] 306230159 345123851 /nfs/dbraw/zinc/12/38/51/345123851.db2.gz JCXBHAOJVKRSTQ-UHFFFAOYSA-N 0 3 177.247 1.906 10 10 ADCEHN Nc1c(F)ccc([C@H]2CCC[NH2+]2)c1[O-] 306309962 345189232 /nfs/dbraw/zinc/18/92/32/345189232.db2.gz LXLRSIBPSKGXNH-MRVPVSSYSA-N 0 3 196.225 1.538 10 10 ADCEHN Nc1c(F)ccc([C@@H]2CCC[NH2+]2)c1[O-] 306309963 345189619 /nfs/dbraw/zinc/18/96/19/345189619.db2.gz LXLRSIBPSKGXNH-QMMMGPOBSA-N 0 3 196.225 1.538 10 10 ADCEHN Cc1ccc([O-])c(C[NH+]2CCC2)c1 306321991 345199352 /nfs/dbraw/zinc/19/93/52/345199352.db2.gz UJVCRVLXKGDPLS-UHFFFAOYSA-N 0 3 177.247 1.906 10 10 ADCEHN CC[N@H+](C)Cc1ccc(O)cc1[O-] 306440526 345301275 /nfs/dbraw/zinc/30/12/75/345301275.db2.gz NVAZAWMRRNXRBL-UHFFFAOYSA-N 0 3 181.235 1.550 10 10 ADCEHN CC[N@@H+](C)Cc1ccc(O)cc1[O-] 306440526 345301276 /nfs/dbraw/zinc/30/12/76/345301276.db2.gz NVAZAWMRRNXRBL-UHFFFAOYSA-N 0 3 181.235 1.550 10 10 ADCEHN NCc1ccc(N2CCC2)cc1F 306440807 345301479 /nfs/dbraw/zinc/30/14/79/345301479.db2.gz QVPCYERTCIOTQV-UHFFFAOYSA-N 0 3 180.226 1.495 10 10 ADCEHN CC[C@@H](NC(N)=[NH2+])c1ccccc1[O-] 306582847 345459854 /nfs/dbraw/zinc/45/98/54/345459854.db2.gz PLDGYWPOGKDPMK-MRVPVSSYSA-N 0 3 193.250 1.326 10 10 ADCEHN CC[C@H](NC(N)=[NH2+])c1ccccc1[O-] 306582848 345459935 /nfs/dbraw/zinc/45/99/35/345459935.db2.gz PLDGYWPOGKDPMK-QMMMGPOBSA-N 0 3 193.250 1.326 10 10 ADCEHN Cc1ccc([C@@H](C)NC(N)=[NH2+])c([O-])c1 306617092 345490476 /nfs/dbraw/zinc/49/04/76/345490476.db2.gz QRJZECAJXOWKMR-SSDOTTSWSA-N 0 3 193.250 1.245 10 10 ADCEHN Cc1ccc([C@H](C)NC(N)=[NH2+])c([O-])c1 306617093 345490723 /nfs/dbraw/zinc/49/07/23/345490723.db2.gz QRJZECAJXOWKMR-ZETCQYMHSA-N 0 3 193.250 1.245 10 10 ADCEHN Nc1c(F)ccc([C@@H]2CC[NH2+]2)c1[O-] 306627631 345499262 /nfs/dbraw/zinc/49/92/62/345499262.db2.gz ZRYPIQAFZAUHDR-ZETCQYMHSA-N 0 3 182.198 1.148 10 10 ADCEHN CC1C[NH+](Cc2ccccc2[O-])C1 306638739 345506478 /nfs/dbraw/zinc/50/64/78/345506478.db2.gz GXBUQKMALCKAPX-UHFFFAOYSA-N 0 3 177.247 1.844 10 10 ADCEHN Nc1c(F)ccc([C@H]([NH3+])CF)c1[O-] 306701153 345555997 /nfs/dbraw/zinc/55/59/97/345555997.db2.gz KGELKWQZSKYUOG-ZCFIWIBFSA-N 0 3 188.177 1.083 10 10 ADCEHN Cc1ccc([C@@H]([NH3+])CCN)c([O-])c1F 306736785 345583857 /nfs/dbraw/zinc/58/38/57/345583857.db2.gz QRXZPVWQFFEGTG-QMMMGPOBSA-N 0 3 198.241 1.188 10 10 ADCEHN [O-]c1ccccc1C[NH+]1CCC1 306762089 345598015 /nfs/dbraw/zinc/59/80/15/345598015.db2.gz SJTZXIYRRKFZRC-UHFFFAOYSA-N 0 3 163.220 1.598 10 10 ADCEHN Cc1ccc(F)c([O-])c1[C@@H]([NH3+])CCN 306791034 345616685 /nfs/dbraw/zinc/61/66/85/345616685.db2.gz ZPXCZXPNACONJE-QMMMGPOBSA-N 0 3 198.241 1.188 10 10 ADCEHN Cc1cc(F)c([O-])c([C@H]([NH3+])CCN)c1 306830711 345644566 /nfs/dbraw/zinc/64/45/66/345644566.db2.gz JINWUVQTZRDLCL-SECBINFHSA-N 0 3 198.241 1.188 10 10 ADCEHN Cc1cc(F)c([O-])c([C@@H]([NH3+])CCN)c1 306830712 345644719 /nfs/dbraw/zinc/64/47/19/345644719.db2.gz JINWUVQTZRDLCL-VIFPVBQESA-N 0 3 198.241 1.188 10 10 ADCEHN Cc1ccc([C@H]([NH3+])CCN)c([O-])c1F 306887537 345683814 /nfs/dbraw/zinc/68/38/14/345683814.db2.gz QRXZPVWQFFEGTG-MRVPVSSYSA-N 0 3 198.241 1.188 10 10 ADCEHN Nc1cc(F)cc([C@H](N)CF)c1O 306930808 345704649 /nfs/dbraw/zinc/70/46/49/345704649.db2.gz BXFXTRJMMKFTDL-SSDOTTSWSA-N 0 3 188.177 1.083 10 10 ADCEHN Nc1cc(F)cc([C@H]([NH3+])CF)c1[O-] 306930808 345704651 /nfs/dbraw/zinc/70/46/51/345704651.db2.gz BXFXTRJMMKFTDL-SSDOTTSWSA-N 0 3 188.177 1.083 10 10 ADCEHN Nc1cc(F)cc([C@@H](N)CF)c1O 306930809 345704727 /nfs/dbraw/zinc/70/47/27/345704727.db2.gz BXFXTRJMMKFTDL-ZETCQYMHSA-N 0 3 188.177 1.083 10 10 ADCEHN Nc1cc(F)cc([C@@H]([NH3+])CF)c1[O-] 306930809 345704730 /nfs/dbraw/zinc/70/47/30/345704730.db2.gz BXFXTRJMMKFTDL-ZETCQYMHSA-N 0 3 188.177 1.083 10 10 ADCEHN C[C@H](NC(N)=[NH2+])c1cc(F)ccc1[O-] 306939768 345709072 /nfs/dbraw/zinc/70/90/72/345709072.db2.gz KQKKJGBYCJUSKT-YFKPBYRVSA-N 0 3 197.213 1.075 10 10 ADCEHN Nc1c(F)ccc([C@@H]([NH3+])CF)c1[O-] 306945211 345711097 /nfs/dbraw/zinc/71/10/97/345711097.db2.gz KGELKWQZSKYUOG-LURJTMIESA-N 0 3 188.177 1.083 10 10 ADCEHN Cc1ccc(N)c(O)c1[C@H](N)CF 306955974 345717888 /nfs/dbraw/zinc/71/78/88/345717888.db2.gz QVXNYEKMDLATLS-SSDOTTSWSA-N 0 3 184.214 1.252 10 10 ADCEHN Nc1cc(F)cc([C@@H]2CC[NH2+]2)c1[O-] 306989242 345737083 /nfs/dbraw/zinc/73/70/83/345737083.db2.gz RWUJJSQEIUHNFB-QMMMGPOBSA-N 0 3 182.198 1.148 10 10 ADCEHN Nc1ccc(O)c(CN2CCC2)c1 307129650 345826562 /nfs/dbraw/zinc/82/65/62/345826562.db2.gz FBDJFGQVGBVGNF-UHFFFAOYSA-N 0 3 178.235 1.180 10 10 ADCEHN Cc1ccc(N)c(O)c1[C@@H](N)CF 307149235 345842175 /nfs/dbraw/zinc/84/21/75/345842175.db2.gz QVXNYEKMDLATLS-ZETCQYMHSA-N 0 3 184.214 1.252 10 10 ADCEHN Nc1cc(F)cc([C@H]2CC[NH2+]2)c1[O-] 307197675 345883187 /nfs/dbraw/zinc/88/31/87/345883187.db2.gz RWUJJSQEIUHNFB-MRVPVSSYSA-N 0 3 182.198 1.148 10 10 ADCEHN CCC[C@@H]([NH3+])c1ccc(F)c(N)c1[O-] 307215873 345896982 /nfs/dbraw/zinc/89/69/82/345896982.db2.gz STEUXZDZQKPLDF-MRVPVSSYSA-N 0 3 198.241 1.913 10 10 ADCEHN C[C@@H](NC(N)=[NH2+])c1cc(F)ccc1[O-] 307266040 345935138 /nfs/dbraw/zinc/93/51/38/345935138.db2.gz KQKKJGBYCJUSKT-RXMQYKEDSA-N 0 3 197.213 1.075 10 10 ADCEHN CCOc1ccc(C[NH3+])c([O-])c1 307541405 346101390 /nfs/dbraw/zinc/10/13/90/346101390.db2.gz XTBVQQQBGPXXRJ-UHFFFAOYSA-N 0 3 167.208 1.250 10 10 ADCEHN CCC[C@H]([NH3+])c1ccc(F)c(N)c1[O-] 307561523 346113436 /nfs/dbraw/zinc/11/34/36/346113436.db2.gz STEUXZDZQKPLDF-QMMMGPOBSA-N 0 3 198.241 1.913 10 10 ADCEHN CCOc1cccc(C[NH3+])c1[O-] 22144648 351412271 /nfs/dbraw/zinc/41/22/71/351412271.db2.gz OXMFJXAQARNVFL-UHFFFAOYSA-N 0 3 167.208 1.250 10 10 ADCEHN CCOc1cccc([C@@H]2CC[NH2+]2)c1[O-] 39090422 351490457 /nfs/dbraw/zinc/49/04/57/351490457.db2.gz SLPCUYHDWVSKNH-VIFPVBQESA-N 0 3 193.246 1.825 10 10 ADCEHN CCOc1cccc([C@H]2CC[NH2+]2)c1[O-] 39090423 351490506 /nfs/dbraw/zinc/49/05/06/351490506.db2.gz SLPCUYHDWVSKNH-SECBINFHSA-N 0 3 193.246 1.825 10 10 ADCEHN c1ccc(/N=N/N2CCNCC2)cc1 39115403 351493721 /nfs/dbraw/zinc/49/37/21/351493721.db2.gz WOFAPPKBZWDMRX-OUKQBFOZSA-N 0 3 190.250 1.591 10 10 ADCEHN C[C@@H]1C[C@H]1[NH2+]Cc1ccc(O)cc1[O-] 52271462 351564715 /nfs/dbraw/zinc/56/47/15/351564715.db2.gz MLZJUBBKSAROSP-GMSGAONNSA-N 0 3 193.246 1.596 10 10 ADCEHN C[C@@H]1C[C@H]1[NH2+]Cc1ccccc1[O-] 52270159 351564974 /nfs/dbraw/zinc/56/49/74/351564974.db2.gz ZVJGETUPDZHEDF-PSASIEDQSA-N 0 3 177.247 1.890 10 10 ADCEHN C[C@@H]1C[C@H]1NCc1ccc(O)c(O)c1 52269983 351564995 /nfs/dbraw/zinc/56/49/95/351564995.db2.gz YEXNWPOZMSETPF-VXNVDRBHSA-N 0 3 193.246 1.596 10 10 ADCEHN C[C@@H]1C[C@@H]1[NH2+]Cc1ccccc1[O-] 52270152 351565167 /nfs/dbraw/zinc/56/51/67/351565167.db2.gz ZVJGETUPDZHEDF-SCZZXKLOSA-N 0 3 177.247 1.890 10 10 ADCEHN C[C@@H]1C[C@@H]1[NH2+]Cc1cccc(O)c1[O-] 52275162 351565750 /nfs/dbraw/zinc/56/57/50/351565750.db2.gz YTKFHQVGWXMFDL-APPZFPTMSA-N 0 3 193.246 1.596 10 10 ADCEHN C[C@@H]1C[C@H]1[NH2+]Cc1cccc(O)c1[O-] 52275165 351565784 /nfs/dbraw/zinc/56/57/84/351565784.db2.gz YTKFHQVGWXMFDL-VXNVDRBHSA-N 0 3 193.246 1.596 10 10 ADCEHN CC[C@@H](C)[NH2+]Cc1cc(O)ccc1[O-] 83342283 351645615 /nfs/dbraw/zinc/64/56/15/351645615.db2.gz BGDMJTPIDNOWNL-MRVPVSSYSA-N 0 3 195.262 1.986 10 10 ADCEHN CC[NH2+][C@@H]1CCc2cccc([O-])c21 257815520 351850550 /nfs/dbraw/zinc/85/05/50/351850550.db2.gz CVUQZOHAXMDYQW-SECBINFHSA-N 0 3 177.247 1.989 10 10 ADCEHN CC[NH2+][C@H]1CCc2cccc([O-])c21 257815521 351850799 /nfs/dbraw/zinc/85/07/99/351850799.db2.gz CVUQZOHAXMDYQW-VIFPVBQESA-N 0 3 177.247 1.989 10 10 ADCEHN C[NH+](C)[C@H]1CCc2cccc([O-])c21 257902721 351854686 /nfs/dbraw/zinc/85/46/86/351854686.db2.gz PDHFCLQGDZUWIZ-VIFPVBQESA-N 0 3 177.247 1.941 10 10 ADCEHN [O-]c1ccccc1C[NH2+]CC1COC1 527816367 352170964 /nfs/dbraw/zinc/17/09/64/352170964.db2.gz BVZXFXCKOCFSQF-UHFFFAOYSA-N 0 3 193.246 1.128 10 10 ADCEHN COc1ccc([C@H]([NH3+])CCF)c([O-])c1 575438876 352203131 /nfs/dbraw/zinc/20/31/31/352203131.db2.gz DUXNIXGVKXQSQM-SECBINFHSA-N 0 3 199.225 1.760 10 10 ADCEHN COc1cccc([O-])c1[C@@H]([NH3+])CCF 575438684 352203223 /nfs/dbraw/zinc/20/32/23/352203223.db2.gz MZKQGUJFCOTAKZ-ZETCQYMHSA-N 0 3 199.225 1.760 10 10 ADCEHN COc1cccc([C@@H]([NH3+])CCF)c1[O-] 575438114 352203378 /nfs/dbraw/zinc/20/33/78/352203378.db2.gz GCNKSWPAXYCOBJ-QMMMGPOBSA-N 0 3 199.225 1.760 10 10 ADCEHN [NH3+][C@H](CCF)c1cc(F)ccc1[O-] 575438989 352203424 /nfs/dbraw/zinc/20/34/24/352203424.db2.gz PSAPROYVRRKINX-MRVPVSSYSA-N 0 3 187.189 1.891 10 10 ADCEHN COc1cccc([C@H]([NH3+])CCF)c1[O-] 575438148 352203459 /nfs/dbraw/zinc/20/34/59/352203459.db2.gz GCNKSWPAXYCOBJ-MRVPVSSYSA-N 0 3 199.225 1.760 10 10 ADCEHN COc1cccc([O-])c1[C@H]([NH3+])CCF 575438688 352203495 /nfs/dbraw/zinc/20/34/95/352203495.db2.gz MZKQGUJFCOTAKZ-SSDOTTSWSA-N 0 3 199.225 1.760 10 10 ADCEHN [NH3+][C@H](CCF)c1cc(O)ccc1[O-] 575438895 352203585 /nfs/dbraw/zinc/20/35/85/352203585.db2.gz FSQNCZAHOWJRHD-MRVPVSSYSA-N 0 3 185.198 1.457 10 10 ADCEHN [NH3+][C@@H](CCF)c1cc(O)ccc1[O-] 575439539 352203902 /nfs/dbraw/zinc/20/39/02/352203902.db2.gz FSQNCZAHOWJRHD-QMMMGPOBSA-N 0 3 185.198 1.457 10 10 ADCEHN COc1ccc([C@@H]([NH3+])CCF)c([O-])c1 575439530 352203922 /nfs/dbraw/zinc/20/39/22/352203922.db2.gz DUXNIXGVKXQSQM-VIFPVBQESA-N 0 3 199.225 1.760 10 10 ADCEHN [NH3+][C@H](CCF)c1ccccc1[O-] 575439448 352203944 /nfs/dbraw/zinc/20/39/44/352203944.db2.gz MCDUAVCMYWDWPL-MRVPVSSYSA-N 0 3 169.199 1.752 10 10 ADCEHN COc1ccc([O-])c([C@H]([NH3+])CCF)c1 575439916 352204028 /nfs/dbraw/zinc/20/40/28/352204028.db2.gz OKURQGMKXVKZGZ-SECBINFHSA-N 0 3 199.225 1.760 10 10 ADCEHN [NH3+][C@H](CCF)c1cccc(O)c1[O-] 575439450 352204033 /nfs/dbraw/zinc/20/40/33/352204033.db2.gz MDYNUAHZXIRSDE-SSDOTTSWSA-N 0 3 185.198 1.457 10 10 ADCEHN [NH3+][C@@H](CCF)c1cc(F)ccc1[O-] 575439182 352204088 /nfs/dbraw/zinc/20/40/88/352204088.db2.gz PSAPROYVRRKINX-QMMMGPOBSA-N 0 3 187.189 1.891 10 10 ADCEHN [NH3+][C@H](CCF)c1ccc(O)cc1[O-] 575439160 352204148 /nfs/dbraw/zinc/20/41/48/352204148.db2.gz VIYIQDNSLUBOAZ-MRVPVSSYSA-N 0 3 185.198 1.457 10 10 ADCEHN [NH3+][C@@H](CCF)c1cccc(O)c1[O-] 575440170 352204837 /nfs/dbraw/zinc/20/48/37/352204837.db2.gz MDYNUAHZXIRSDE-ZETCQYMHSA-N 0 3 185.198 1.457 10 10 ADCEHN [NH3+][C@@H](CCF)c1ccccc1[O-] 575440168 352204868 /nfs/dbraw/zinc/20/48/68/352204868.db2.gz MCDUAVCMYWDWPL-QMMMGPOBSA-N 0 3 169.199 1.752 10 10 ADCEHN COc1ccc([O-])c([C@@H]([NH3+])CCF)c1 575440334 352204894 /nfs/dbraw/zinc/20/48/94/352204894.db2.gz OKURQGMKXVKZGZ-VIFPVBQESA-N 0 3 199.225 1.760 10 10 ADCEHN [NH3+][C@@H](CCF)c1ccc(O)cc1[O-] 575440439 352204906 /nfs/dbraw/zinc/20/49/06/352204906.db2.gz VIYIQDNSLUBOAZ-QMMMGPOBSA-N 0 3 185.198 1.457 10 10 ADCEHN C[C@@H]1[NH2+][C@H](C)Cc2cccc([O-])c21 14723605 572016573 /nfs/dbraw/zinc/01/65/73/572016573.db2.gz YDQCMOAPRXUJIY-SFYZADRCSA-N 0 3 177.247 1.987 10 10 ADCEHN Oc1cc2c(cc1O)C1(CC1)CNC2 71491344 572830519 /nfs/dbraw/zinc/83/05/19/572830519.db2.gz UILNYXHGFCOUJO-UHFFFAOYSA-N 0 3 191.230 1.233 10 10 ADCEHN [O-]c1ccccc1C[NH2+]CC1(F)CC1 308512834 573166582 /nfs/dbraw/zinc/16/65/82/573166582.db2.gz KXPMZDRXKWKVSZ-UHFFFAOYSA-N 0 3 195.237 1.984 10 10 ADCEHN CC[C@H]([NH3+])c1cc(C)cc(O)c1[O-] 238311375 573203156 /nfs/dbraw/zinc/20/31/56/573203156.db2.gz SGUVCBUCZUMCPD-QMMMGPOBSA-N 0 3 181.235 1.816 10 10 ADCEHN [NH3+]C1(c2ccc3c(c2[O-])OCO3)CC1 257968860 573203612 /nfs/dbraw/zinc/20/36/12/573203612.db2.gz CNHSXQSBYAVAIM-UHFFFAOYSA-N 0 3 193.202 1.069 10 10 ADCEHN C[NH2+][C@@H]1CCCc2cccc([O-])c21 257963991 573209275 /nfs/dbraw/zinc/20/92/75/573209275.db2.gz XUBNKHNEDHSNFA-SECBINFHSA-N 0 3 177.247 1.989 10 10 ADCEHN CC[C@H]([NH3+])c1cc(OC)c(O)cc1[O-] 238314160 573224909 /nfs/dbraw/zinc/22/49/09/573224909.db2.gz JXYSVZCNTNDCCM-ZETCQYMHSA-N 0 3 197.234 1.516 10 10 ADCEHN C[NH2+][C@@H](C)c1c(C)ccc(OC)c1[O-] 238321142 573230103 /nfs/dbraw/zinc/23/01/03/573230103.db2.gz ISVVBKDLSRRDRD-QMMMGPOBSA-N 0 3 195.262 1.990 10 10 ADCEHN C[C@@H]1C[NH2+][C@@H](c2ccccc2[O-])OC1 258487475 573239650 /nfs/dbraw/zinc/23/96/50/573239650.db2.gz LMRGNJROSCTDMR-LDYMZIIASA-N 0 3 193.246 1.647 10 10 ADCEHN COc1cc([O-])c(C(C)(C)[NH3+])cc1C 257989296 573274041 /nfs/dbraw/zinc/27/40/41/573274041.db2.gz FIXDNPPBRYORQL-UHFFFAOYSA-N 0 3 195.262 1.903 10 10 ADCEHN C[C@@]1(c2cccc(O)c2[O-])CCC[NH2+]1 257989352 573273461 /nfs/dbraw/zinc/27/34/61/573273461.db2.gz FMFLAJKDXWTEIV-NSHDSACASA-N 0 3 193.246 1.696 10 10 ADCEHN CN(C)c1ccc2c(c1)C(=O)C[C@H]2N 238331013 573276710 /nfs/dbraw/zinc/27/67/10/573276710.db2.gz OJCBBIAIJTVAHK-SNVBAGLBSA-N 0 3 190.246 1.339 10 10 ADCEHN C[NH+](C)Cc1ccc2c(c1[O-])CCC2 238335114 573294970 /nfs/dbraw/zinc/29/49/70/573294970.db2.gz HYPNTKGCFPLHIN-UHFFFAOYSA-N 0 3 191.274 1.943 10 10 ADCEHN C[C@H]1CO[C@@H](c2ccccc2[O-])[NH2+]1 258623377 573298199 /nfs/dbraw/zinc/29/81/99/573298199.db2.gz RIOYJZYLNOFTLW-XVKPBYJWSA-N 0 3 179.219 1.399 10 10 ADCEHN CCc1cc(O)c([O-])c([C@@H](C)[NH3+])c1 238335476 573298623 /nfs/dbraw/zinc/29/86/23/573298623.db2.gz NHTAUMTZRLXROX-ZCFIWIBFSA-N 0 3 181.235 1.680 10 10 ADCEHN CNC1CN(c2ccc(OC)cc2)C1 259076363 573303566 /nfs/dbraw/zinc/30/35/66/573303566.db2.gz CGNRUBBTXDWBMX-UHFFFAOYSA-N 0 3 192.262 1.103 10 10 ADCEHN Cn1c(CN)ccc1-c1cc[nH]c1 74308579 573314862 /nfs/dbraw/zinc/31/48/62/573314862.db2.gz KJAKMBKGXCEDRA-UHFFFAOYSA-N 0 3 175.235 1.479 10 10 ADCEHN N#[N+]C=C([O-])c1cc(Cl)ccc1F 106876361 573325463 /nfs/dbraw/zinc/32/54/63/573325463.db2.gz FCRQGTYYRIVFMA-UHFFFAOYSA-N 0 3 198.584 1.962 10 10 ADCEHN COc1ccc2c(c1[O-])C[NH2+]C2 258629517 573326289 /nfs/dbraw/zinc/32/62/89/573326289.db2.gz XMFWTRVLFLBVCP-UHFFFAOYSA-N 0 3 165.192 1.004 10 10 ADCEHN CC[C@@H]1C[NH2+]Cc2c([O-])cccc21 258323002 573370602 /nfs/dbraw/zinc/37/06/02/573370602.db2.gz UMCWZTASPCKTNW-MRVPVSSYSA-N 0 3 177.247 1.989 10 10 ADCEHN COc1cc(C)c(O)c(CN(C)C)c1 238370018 573370834 /nfs/dbraw/zinc/37/08/34/573370834.db2.gz YZKOBMQVABTGLI-UHFFFAOYSA-N 0 3 195.262 1.771 10 10 ADCEHN Nc1ccc(C[NH+]2CCCC2)c([O-])c1 117775532 573370865 /nfs/dbraw/zinc/37/08/65/573370865.db2.gz GREIWYYNJXYQCD-UHFFFAOYSA-N 0 3 192.262 1.570 10 10 ADCEHN COc1cc([O-])c2c(c1)OCC[C@@H]2[NH3+] 238372577 573378766 /nfs/dbraw/zinc/37/87/66/573378766.db2.gz MAGVJGXOZZQPNJ-ZETCQYMHSA-N 0 3 195.218 1.183 10 10 ADCEHN COc1cc([O-])c2c(c1)CCC[C@@H]2[NH3+] 238372552 573378938 /nfs/dbraw/zinc/37/89/38/573378938.db2.gz BBONTLFPDVKCAJ-VIFPVBQESA-N 0 3 193.246 1.737 10 10 ADCEHN [O-]c1cc([C@H]2CC[NH2+]C2)cc(F)c1O 258016848 573379259 /nfs/dbraw/zinc/37/92/59/573379259.db2.gz HWJZOHHHHIVXME-LURJTMIESA-N 0 3 197.209 1.314 10 10 ADCEHN COc1cc([O-])c2c(c1)CC[C@H]2[NH3+] 238372733 573379305 /nfs/dbraw/zinc/37/93/05/573379305.db2.gz VPUSYVRKMNDASQ-MRVPVSSYSA-N 0 3 179.219 1.347 10 10 ADCEHN C[C@H]([NH3+])c1c(F)ccc(N)c1[O-] 211713000 573384375 /nfs/dbraw/zinc/38/43/75/573384375.db2.gz JKNMYDWGRKWQGK-BYPYZUCNSA-N 0 3 170.187 1.133 10 10 ADCEHN COC[C@H]1[NH2+]CCc2cccc([O-])c21 257810056 573399234 /nfs/dbraw/zinc/39/92/34/573399234.db2.gz ABFSKXPHRMZIAV-SECBINFHSA-N 0 3 193.246 1.225 10 10 ADCEHN CCC[C@H](O)[C@@H]([NH3+])c1ccccc1[O-] 308579980 573419349 /nfs/dbraw/zinc/41/93/49/573419349.db2.gz JINCWGMBBPJIAR-QWRGUYRKSA-N 0 3 195.262 1.553 10 10 ADCEHN COc1cc(O)c([O-])c([C@H](C)[NH3+])c1 238392608 573427677 /nfs/dbraw/zinc/42/76/77/573427677.db2.gz RDHMIXIQFDIVGZ-YFKPBYRVSA-N 0 3 183.207 1.126 10 10 ADCEHN COc1cc(O)c([O-])c([C@@H](C)[NH3+])c1 238392595 573430655 /nfs/dbraw/zinc/43/06/55/573430655.db2.gz RDHMIXIQFDIVGZ-RXMQYKEDSA-N 0 3 183.207 1.126 10 10 ADCEHN C[NH+](C)[C@H]1CCOc2cccc([O-])c21 257812310 573430700 /nfs/dbraw/zinc/43/07/00/573430700.db2.gz BRJHJLUQEIRICI-QMMMGPOBSA-N 0 3 193.246 1.777 10 10 ADCEHN C[NH2+][C@@H]1CCNc2cccc([O-])c21 257812058 573434465 /nfs/dbraw/zinc/43/44/65/573434465.db2.gz BKXFBSOZTCHHMG-SSDOTTSWSA-N 0 3 178.235 1.468 10 10 ADCEHN Cc1ccc(C2([NH3+])CC2)c([O-])c1C 258031032 573434888 /nfs/dbraw/zinc/43/48/88/573434888.db2.gz PCLRTUZIVDQKHH-UHFFFAOYSA-N 0 3 177.247 1.957 10 10 ADCEHN COc1ccc2c(c1[O-])C[NH2+][C@@H]2C 257815792 573468531 /nfs/dbraw/zinc/46/85/31/573468531.db2.gz CYTQDZDUBZYEIZ-ZCFIWIBFSA-N 0 3 179.219 1.565 10 10 ADCEHN COc1ccc2c(c1[O-])C[NH2+][C@H]2C 257815791 573468977 /nfs/dbraw/zinc/46/89/77/573468977.db2.gz CYTQDZDUBZYEIZ-LURJTMIESA-N 0 3 179.219 1.565 10 10 ADCEHN COc1ccc(C2([NH3+])CCC2)c([O-])c1 75068054 573474564 /nfs/dbraw/zinc/47/45/64/573474564.db2.gz DRJYIUKTCFDURP-UHFFFAOYSA-N 0 3 193.246 1.739 10 10 ADCEHN COc1cc([C@@H](C)[NH3+])c([O-])cc1O 238412479 573475276 /nfs/dbraw/zinc/47/52/76/573475276.db2.gz CQTVQMDBVKUXAG-RXMQYKEDSA-N 0 3 183.207 1.126 10 10 ADCEHN [NH3+]CCCc1ccc(F)c([O-])c1O 258045158 573475808 /nfs/dbraw/zinc/47/58/08/573475808.db2.gz KCIXUWHFUSVPKQ-UHFFFAOYSA-N 0 3 185.198 1.128 10 10 ADCEHN C[C@@H]([NH3+])c1ccc(N(C)C)cc1[O-] 86569691 573491095 /nfs/dbraw/zinc/49/10/95/573491095.db2.gz RSVJMGOZSIHYJO-SSDOTTSWSA-N 0 3 180.251 1.478 10 10 ADCEHN C[NH2+][C@H](C)c1ccc(N(C)C)cc1[O-] 86569693 573491243 /nfs/dbraw/zinc/49/12/43/573491243.db2.gz HKQHPSSVSCKZPT-MRVPVSSYSA-N 0 3 194.278 1.739 10 10 ADCEHN CCN(C)c1ccc([C@H](C)[NH3+])c([O-])c1 86569699 573491335 /nfs/dbraw/zinc/49/13/35/573491335.db2.gz PYLQKAPMUKWNSH-QMMMGPOBSA-N 0 3 194.278 1.868 10 10 ADCEHN C[C@H]([NH3+])c1cc(Cl)cc(N)c1[O-] 238418280 573499821 /nfs/dbraw/zinc/49/98/21/573499821.db2.gz XAHZLSYMDNMBHX-BYPYZUCNSA-N 0 3 186.642 1.648 10 10 ADCEHN C[C@H]([NH3+])c1cc(Cl)c(N)cc1[O-] 238417917 573501273 /nfs/dbraw/zinc/50/12/73/573501273.db2.gz BPBYOWJEOXIABF-BYPYZUCNSA-N 0 3 186.642 1.648 10 10 ADCEHN N#[N+]C=C([O-])c1ccccc1F 78634555 573554997 /nfs/dbraw/zinc/55/49/97/573554997.db2.gz GXLIAZBYQARRTI-UHFFFAOYSA-N 0 3 164.139 1.309 10 10 ADCEHN C[C@H]1CCN[C@@H](c2ccccc2O)N1 238438416 573555076 /nfs/dbraw/zinc/55/50/76/573555076.db2.gz QYUKOTSAMODLOL-GZMMTYOYSA-N 0 3 192.262 1.362 10 10 ADCEHN COc1cc(F)cc([C@H]2CC[NH2+]2)c1[O-] 95784526 573565778 /nfs/dbraw/zinc/56/57/78/573565778.db2.gz REVJGXFBDFTDNE-MRVPVSSYSA-N 0 3 197.209 1.574 10 10 ADCEHN C[C@@H](c1ccccc1[O-])N1CC([NH3+])C1 83634686 573573320 /nfs/dbraw/zinc/57/33/20/573573320.db2.gz BHWZUHWILSJLJN-QMMMGPOBSA-N 0 3 192.262 1.096 10 10 ADCEHN C[C@@H]1C[NH2+][C@@](C)(c2ccccc2[O-])O1 238455740 573592696 /nfs/dbraw/zinc/59/26/96/573592696.db2.gz PQYCAMIXFUDNRW-LDYMZIIASA-N 0 3 193.246 1.573 10 10 ADCEHN Cc1ccc(C)c([C@@](C)([NH3+])CO)c1[O-] 238455818 573594265 /nfs/dbraw/zinc/59/42/65/573594265.db2.gz VWTZMHQXPGUZRK-NSHDSACASA-N 0 3 195.262 1.175 10 10 ADCEHN C[NH2+]C1(c2ccccc2[O-])CC(F)C1 257837366 573609876 /nfs/dbraw/zinc/60/98/76/573609876.db2.gz LAXHYHYWIHFBNL-UHFFFAOYSA-N 0 3 195.237 1.939 10 10 ADCEHN Cc1cc([O-])c([C@@H]([NH3+])[C@@H](C)O)cc1C 238452588 573622757 /nfs/dbraw/zinc/62/27/57/573622757.db2.gz CBEMYPFWWLODHL-KCJUWKMLSA-N 0 3 195.262 1.390 10 10 ADCEHN Cc1cccc([O-])c1[C@H]([NH3+])[C@H](C)O 238459802 573632694 /nfs/dbraw/zinc/63/26/94/573632694.db2.gz JKHQDFUGAYXYRT-OIBJUYFYSA-N 0 3 181.235 1.081 10 10 ADCEHN Cc1cc([O-])c([C@H]([NH3+])[C@H](C)O)cc1C 238461137 573638278 /nfs/dbraw/zinc/63/82/78/573638278.db2.gz CBEMYPFWWLODHL-GZMMTYOYSA-N 0 3 195.262 1.390 10 10 ADCEHN C[C@@]1(c2ccccc2[O-])[NH2+]CCS1 75598315 573638464 /nfs/dbraw/zinc/63/84/64/573638464.db2.gz UJMADGHHOYHVSC-SNVBAGLBSA-N 0 3 195.287 1.901 10 10 ADCEHN C[C@H]1c2c(O)ccc(O)c2CCN1C 238471312 573656521 /nfs/dbraw/zinc/65/65/21/573656521.db2.gz YEIZOXFDQHGAMZ-ZETCQYMHSA-N 0 3 193.246 1.647 10 10 ADCEHN C[C@@H]1CO[C@](C)(c2ccccc2[O-])[NH2+]1 258505424 573656912 /nfs/dbraw/zinc/65/69/12/573656912.db2.gz MFKUJYCFJLXPBP-LDYMZIIASA-N 0 3 193.246 1.573 10 10 ADCEHN [O-]c1ccccc1[C@@H]1[NH2+]CC[C@@H]1CO 257847201 573682300 /nfs/dbraw/zinc/68/23/00/573682300.db2.gz NWKCKYBDZJZXTQ-LDYMZIIASA-N 0 3 193.246 1.035 10 10 ADCEHN [O-]c1ccccc1[C@H]1[NH2+]CC[C@@H]1CO 257847198 573682533 /nfs/dbraw/zinc/68/25/33/573682533.db2.gz NWKCKYBDZJZXTQ-KCJUWKMLSA-N 0 3 193.246 1.035 10 10 ADCEHN CC(C)([NH3+])c1cc([O-])c(O)c(F)c1 258093361 573682771 /nfs/dbraw/zinc/68/27/71/573682771.db2.gz OBMJBTPNBCZTKS-UHFFFAOYSA-N 0 3 185.198 1.431 10 10 ADCEHN C[C@H]1NCCc2c1ccc(O)c2O 75793199 573696981 /nfs/dbraw/zinc/69/69/81/573696981.db2.gz DZYVXGBVZYPALR-ZCFIWIBFSA-N 0 3 179.219 1.305 10 10 ADCEHN C[C@@H]1NCCc2c1cc(O)c(O)c2O 75818645 573698897 /nfs/dbraw/zinc/69/88/97/573698897.db2.gz XKDWPXTWJQHXBK-YFKPBYRVSA-N 0 3 195.218 1.010 10 10 ADCEHN CN(C)c1cc(F)c(CN)cc1F 75844823 573706622 /nfs/dbraw/zinc/70/66/22/573706622.db2.gz AJHQSMMSHMQIRC-UHFFFAOYSA-N 0 3 186.205 1.490 10 10 ADCEHN Cc1ccc(C2([NH3+])CCC2)c([O-])c1O 258101003 573706696 /nfs/dbraw/zinc/70/66/96/573706696.db2.gz OURAUQZVOSNSDU-UHFFFAOYSA-N 0 3 193.246 1.744 10 10 ADCEHN Cc1cc([O-])c2c(c1)CC[C@H]2[NH3+] 238492891 573715113 /nfs/dbraw/zinc/71/51/13/573715113.db2.gz POXTWLFCRFZJDJ-MRVPVSSYSA-N 0 3 163.220 1.647 10 10 ADCEHN Cc1cc([O-])c2c(c1)OC[C@H]2[NH3+] 238492939 573715279 /nfs/dbraw/zinc/71/52/79/573715279.db2.gz XRTHIQQJKAMNPN-ZCFIWIBFSA-N 0 3 165.192 1.093 10 10 ADCEHN Cc1ccc([C@](C)([NH3+])CO)c([O-])c1C 238493322 573715339 /nfs/dbraw/zinc/71/53/39/573715339.db2.gz FBMRMRDMDLXHLF-LLVKDONJSA-N 0 3 195.262 1.175 10 10 ADCEHN C=Cc1ccc([O-])c([C@@H]([NH3+])[C@H](C)O)c1 238487728 573731558 /nfs/dbraw/zinc/73/15/58/573731558.db2.gz CHTZHNYVQJACKT-CPCISQLKSA-N 0 3 193.246 1.416 10 10 ADCEHN CSc1cccc([O-])c1[C@@H]([NH3+])CO 258111027 573731762 /nfs/dbraw/zinc/73/17/62/573731762.db2.gz LLMWAVRYJRJBKX-LURJTMIESA-N 0 3 199.275 1.106 10 10 ADCEHN Cc1cc([O-])c(C(C)(C)[NH3+])cc1O 258109598 573731787 /nfs/dbraw/zinc/73/17/87/573731787.db2.gz YUNKWGBDXIKFRC-UHFFFAOYSA-N 0 3 181.235 1.600 10 10 ADCEHN CSc1cccc([O-])c1[C@H]([NH3+])CO 258111031 573732255 /nfs/dbraw/zinc/73/22/55/573732255.db2.gz LLMWAVRYJRJBKX-ZCFIWIBFSA-N 0 3 199.275 1.106 10 10 ADCEHN Cc1ccc([C@H]([NH3+])CF)c([O-])c1C 238488784 573732493 /nfs/dbraw/zinc/73/24/93/573732493.db2.gz ANTJQJDFPVCAGP-SECBINFHSA-N 0 3 183.226 1.978 10 10 ADCEHN C[C@H]1CN[C@@H](c2ccccc2O)CO1 108302886 573744482 /nfs/dbraw/zinc/74/44/82/573744482.db2.gz HIDMPAZBKGLXSA-WCBMZHEXSA-N 0 3 193.246 1.442 10 10 ADCEHN C[C@@H]1CN[C@H](c2ccccc2O)CO1 108302881 573744505 /nfs/dbraw/zinc/74/45/05/573744505.db2.gz HIDMPAZBKGLXSA-SCZZXKLOSA-N 0 3 193.246 1.442 10 10 ADCEHN C[C@H]1CN[C@H](c2ccccc2O)CO1 108302882 573745968 /nfs/dbraw/zinc/74/59/68/573745968.db2.gz HIDMPAZBKGLXSA-WPRPVWTQSA-N 0 3 193.246 1.442 10 10 ADCEHN C[C@@H]1CN[C@@H](c2ccccc2O)CO1 108302884 573746325 /nfs/dbraw/zinc/74/63/25/573746325.db2.gz HIDMPAZBKGLXSA-PSASIEDQSA-N 0 3 193.246 1.442 10 10 ADCEHN C[C@@H]1COC[C@@H](c2ccccc2O)N1 108302911 573746544 /nfs/dbraw/zinc/74/65/44/573746544.db2.gz VLQZTKKHVZBEBS-SCZZXKLOSA-N 0 3 193.246 1.442 10 10 ADCEHN Cc1ccc2c(c1[O-])[C@H]([NH3+])CCO2 238500558 573746562 /nfs/dbraw/zinc/74/65/62/573746562.db2.gz FWQVCQJNMYKUFX-SSDOTTSWSA-N 0 3 179.219 1.483 10 10 ADCEHN CO[C@@H]1C[NH2+][C@@H](c2ccccc2[O-])C1 257864553 573750904 /nfs/dbraw/zinc/75/09/04/573750904.db2.gz RTLKFKOXBAJRKD-WCBMZHEXSA-N 0 3 193.246 1.442 10 10 ADCEHN CO[C@H]1C[NH2+][C@@H](c2ccccc2[O-])C1 257864547 573754142 /nfs/dbraw/zinc/75/41/42/573754142.db2.gz RTLKFKOXBAJRKD-PSASIEDQSA-N 0 3 193.246 1.442 10 10 ADCEHN [NH3+]Cc1ccc2c(c1[O-])CCC2 258120136 573755454 /nfs/dbraw/zinc/75/54/54/573755454.db2.gz ZVKUQSYQJDGVFH-UHFFFAOYSA-N 0 3 163.220 1.340 10 10 ADCEHN C=Cc1ccc([O-])c([C@@](C)([NH3+])CO)c1 238506258 573757113 /nfs/dbraw/zinc/75/71/13/573757113.db2.gz WYNJXDNNCQQQKT-NSHDSACASA-N 0 3 193.246 1.201 10 10 ADCEHN [O-]c1ccccc1[C@@H]1C[C@@H](CO)C[NH2+]1 108340983 573769438 /nfs/dbraw/zinc/76/94/38/573769438.db2.gz XPRYCOXMIKTTOG-SCZZXKLOSA-N 0 3 193.246 1.035 10 10 ADCEHN Cc1c(O)ccc([C@H]([NH3+])C2CC2)c1[O-] 238509804 573769485 /nfs/dbraw/zinc/76/94/85/573769485.db2.gz YUWQEIKPMJDHGZ-SNVBAGLBSA-N 0 3 193.246 1.816 10 10 ADCEHN CNC[C@H](F)c1ccc(O)c(O)c1 257870577 573769937 /nfs/dbraw/zinc/76/99/37/573769937.db2.gz YECHXMVQLHUSSI-ZETCQYMHSA-N 0 3 185.198 1.328 10 10 ADCEHN Cc1cc(F)cc([C@](C)([NH3+])CO)c1[O-] 238529443 573808131 /nfs/dbraw/zinc/80/81/31/573808131.db2.gz IKPKCNHURHVJQU-SNVBAGLBSA-N 0 3 199.225 1.006 10 10 ADCEHN CCC[NH2+]Cc1cccc(O)c1[O-] 41049367 573814378 /nfs/dbraw/zinc/81/43/78/573814378.db2.gz CAFDFHSXIRFAMS-UHFFFAOYSA-N 0 3 181.235 1.597 10 10 ADCEHN CC[C@H](C)[NH2+]Cc1cccc(O)c1[O-] 41049377 573814441 /nfs/dbraw/zinc/81/44/41/573814441.db2.gz FYSUHNUKHOHJLA-QMMMGPOBSA-N 0 3 195.262 1.986 10 10 ADCEHN C[N@@H+]1CC[C@H](O)[C@H]1c1ccccc1[O-] 257885235 573830489 /nfs/dbraw/zinc/83/04/89/573830489.db2.gz WCGOTEIQFLEXIN-WDEREUQCSA-N 0 3 193.246 1.130 10 10 ADCEHN C[N@H+]1CC[C@H](O)[C@H]1c1ccccc1[O-] 257885235 573830496 /nfs/dbraw/zinc/83/04/96/573830496.db2.gz WCGOTEIQFLEXIN-WDEREUQCSA-N 0 3 193.246 1.130 10 10 ADCEHN CC(C)([NH3+])c1cc(CCO)ccc1[O-] 238148207 573831204 /nfs/dbraw/zinc/83/12/04/573831204.db2.gz KGTRNNXUHJYRIH-UHFFFAOYSA-N 0 3 195.262 1.121 10 10 ADCEHN C[NH2+]Cc1cc(O)c(C)cc1[O-] 143487922 573831830 /nfs/dbraw/zinc/83/18/30/573831830.db2.gz FKBHONRHNBZNGN-UHFFFAOYSA-N 0 3 167.208 1.126 10 10 ADCEHN Cc1cc([O-])c(C[NH2+]C(C)C)cc1O 143487028 573831262 /nfs/dbraw/zinc/83/12/62/573831262.db2.gz FCPJKTHVSKTZFV-UHFFFAOYSA-N 0 3 195.262 1.904 10 10 ADCEHN CC(C)([NH3+])c1c([O-])cccc1O 238147117 573831622 /nfs/dbraw/zinc/83/16/22/573831622.db2.gz NAOLBZQRFWLPKJ-UHFFFAOYSA-N 0 3 167.208 1.292 10 10 ADCEHN C[N@@H+]1CC[C@@H](O)[C@@H]1c1ccccc1[O-] 257885231 573831756 /nfs/dbraw/zinc/83/17/56/573831756.db2.gz WCGOTEIQFLEXIN-MNOVXSKESA-N 0 3 193.246 1.130 10 10 ADCEHN C[N@H+]1CC[C@@H](O)[C@@H]1c1ccccc1[O-] 257885231 573831762 /nfs/dbraw/zinc/83/17/62/573831762.db2.gz WCGOTEIQFLEXIN-MNOVXSKESA-N 0 3 193.246 1.130 10 10 ADCEHN C[N@@H+]1CC[C@@H](O)[C@H]1c1ccccc1[O-] 257885229 573832280 /nfs/dbraw/zinc/83/22/80/573832280.db2.gz WCGOTEIQFLEXIN-GHMZBOCLSA-N 0 3 193.246 1.130 10 10 ADCEHN C[N@H+]1CC[C@@H](O)[C@H]1c1ccccc1[O-] 257885229 573832286 /nfs/dbraw/zinc/83/22/86/573832286.db2.gz WCGOTEIQFLEXIN-GHMZBOCLSA-N 0 3 193.246 1.130 10 10 ADCEHN CC(C)([NH3+])c1c([O-])ccc2c1OCO2 258153039 573835690 /nfs/dbraw/zinc/83/56/90/573835690.db2.gz UIVOMPYCBZZZOB-UHFFFAOYSA-N 0 3 195.218 1.315 10 10 ADCEHN [NH3+]Cc1ccc2c(c1[O-])OCCCO2 258153060 573837916 /nfs/dbraw/zinc/83/79/16/573837916.db2.gz UJWOVGICXQZTLJ-UHFFFAOYSA-N 0 3 195.218 1.012 10 10 ADCEHN CC(C)Oc1cccc(C[NH3+])c1[O-] 238158063 573842492 /nfs/dbraw/zinc/84/24/92/573842492.db2.gz NCLFCOFCWHCBCE-UHFFFAOYSA-N 0 3 181.235 1.638 10 10 ADCEHN CC(C)c1ccc([O-])c2c1OC[C@@H]2[NH3+] 238159044 573842001 /nfs/dbraw/zinc/84/20/01/573842001.db2.gz LUJDKMHIISVUPB-QMMMGPOBSA-N 0 3 193.246 1.908 10 10 ADCEHN Cc1cccc([O-])c1[C@](C)([NH3+])CCO 238537321 573846747 /nfs/dbraw/zinc/84/67/47/573846747.db2.gz VZUZQDACBGDMJJ-LLVKDONJSA-N 0 3 195.262 1.257 10 10 ADCEHN Cc1c(O)ccc(C2([NH3+])CCC2)c1[O-] 258160724 573847285 /nfs/dbraw/zinc/84/72/85/573847285.db2.gz VCMRZBUMSANEQW-UHFFFAOYSA-N 0 3 193.246 1.744 10 10 ADCEHN CC(C)([NH3+])Cc1cc([O-])c(O)c(F)c1 258165636 573861640 /nfs/dbraw/zinc/86/16/40/573861640.db2.gz PSOWMKMJQUQBFO-UHFFFAOYSA-N 0 3 199.225 1.517 10 10 ADCEHN Cc1cc(C)c([C@@](C)([NH3+])CO)c([O-])c1 238546741 573861976 /nfs/dbraw/zinc/86/19/76/573861976.db2.gz KCSPWYONKMOTFN-NSHDSACASA-N 0 3 195.262 1.175 10 10 ADCEHN [O-]c1ccccc1C[NH2+]C1CC(O)C1 84422050 573884136 /nfs/dbraw/zinc/88/41/36/573884136.db2.gz BRTIINWMCNBLSK-UHFFFAOYSA-N 0 3 193.246 1.005 10 10 ADCEHN N#[N+]C=C([O-])c1cccs1 84426684 573885950 /nfs/dbraw/zinc/88/59/50/573885950.db2.gz OCKWSISBKGKOLY-UHFFFAOYSA-N 0 3 152.178 1.231 10 10 ADCEHN CCc1ccc([O-])c([C@H](CO)[NH2+]C)c1 211761223 573902970 /nfs/dbraw/zinc/90/29/70/573902970.db2.gz SEKVXLAPFYURJV-JTQLQIEISA-N 0 3 195.262 1.207 10 10 ADCEHN [NH3+]C1(Cc2ccc(O)c([O-])c2F)CC1 258176671 573907042 /nfs/dbraw/zinc/90/70/42/573907042.db2.gz WHYUUHNYASKTBH-UHFFFAOYSA-N 0 3 197.209 1.271 10 10 ADCEHN [O-]c1ccccc1[C@@H]1CSCC[NH2+]1 257901519 573927057 /nfs/dbraw/zinc/92/70/57/573927057.db2.gz YVILZHMVYGWOMF-VIFPVBQESA-N 0 3 195.287 1.770 10 10 ADCEHN C[C@H](C[NH3+])c1ccc(F)c([O-])c1O 258184275 573941757 /nfs/dbraw/zinc/94/17/57/573941757.db2.gz WUTAVXQQEBYZPJ-RXMQYKEDSA-N 0 3 185.198 1.299 10 10 ADCEHN C[C@]1(c2c([O-])cccc2O)CCC[NH2+]1 258186739 573946419 /nfs/dbraw/zinc/94/64/19/573946419.db2.gz WXZQRCQUWRBTEM-LLVKDONJSA-N 0 3 193.246 1.696 10 10 ADCEHN COc1cc([O-])c([C@H](C)[NH3+])cc1OC 104403207 573976561 /nfs/dbraw/zinc/97/65/61/573976561.db2.gz SXPJYFMEJASUOT-LURJTMIESA-N 0 3 197.234 1.429 10 10 ADCEHN C[C@@H]([NH3+])c1c([O-])cccc1O 104403455 573976942 /nfs/dbraw/zinc/97/69/42/573976942.db2.gz SJFOUJQHRLSONM-RXMQYKEDSA-N 0 3 153.181 1.118 10 10 ADCEHN CC(C)[C@@H]([NH3+])c1cccc(CO)c1[O-] 104452237 573984082 /nfs/dbraw/zinc/98/40/82/573984082.db2.gz AUNRXJKGAHPXKX-SNVBAGLBSA-N 0 3 195.262 1.540 10 10 ADCEHN CC[C@@H]([NH3+])c1cc(CO)ccc1[O-] 104454034 573985091 /nfs/dbraw/zinc/98/50/91/573985091.db2.gz UIVJDLOCOZOWLA-SECBINFHSA-N 0 3 181.235 1.294 10 10 ADCEHN Cc1cc([O-])c([C@@](C)([NH3+])CO)cc1C 104451055 573985372 /nfs/dbraw/zinc/98/53/72/573985372.db2.gz MKLQORNVDWAFJW-NSHDSACASA-N 0 3 195.262 1.175 10 10 ADCEHN [NH3+]CC1(c2ccc(O)c([O-])c2F)CC1 258198756 574001409 /nfs/dbraw/zinc/00/14/09/574001409.db2.gz YCGALHIZPQAILC-UHFFFAOYSA-N 0 3 197.209 1.227 10 10 ADCEHN [NH3+]C/C=C/c1ccc(F)c(O)c1[O-] 258203250 574008562 /nfs/dbraw/zinc/00/85/62/574008562.db2.gz YQBJCEBNSSDXOC-OWOJBTEDSA-N 0 3 183.182 1.209 10 10 ADCEHN Nc1cc(F)c([O-])c([C@H]([NH3+])C2CC2)c1 104508612 574018440 /nfs/dbraw/zinc/01/84/40/574018440.db2.gz WSVXDGFIOOZJHU-SECBINFHSA-N 0 3 196.225 1.523 10 10 ADCEHN C[C@@H]([NH3+])c1cc(N)c(F)cc1[O-] 104507334 574019147 /nfs/dbraw/zinc/01/91/47/574019147.db2.gz LCGYJRWCLSQFAY-SCSAIBSYSA-N 0 3 170.187 1.133 10 10 ADCEHN COc1cc(C)cc([O-])c1[C@@H](C)[NH3+] 104509266 574020725 /nfs/dbraw/zinc/02/07/25/574020725.db2.gz LRDYKGXBOJKWEH-SSDOTTSWSA-N 0 3 181.235 1.729 10 10 ADCEHN CC[C@@H]([NH3+])c1c(F)ccc(N)c1[O-] 104515833 574023711 /nfs/dbraw/zinc/02/37/11/574023711.db2.gz DFVTZLKOTKUUFJ-ZCFIWIBFSA-N 0 3 184.214 1.523 10 10 ADCEHN C[C@H](O)[C@H](C)[NH2+]Cc1ccccc1[O-] 162953475 630053668 /nfs/dbraw/zinc/05/36/68/630053668.db2.gz RERQGWFGUKOEBG-IUCAKERBSA-N 0 3 195.262 1.251 10 10 ADCEHN C[C@H](O)[C@@H](C)[NH2+]Cc1ccccc1[O-] 162953591 630053865 /nfs/dbraw/zinc/05/38/65/630053865.db2.gz RERQGWFGUKOEBG-BDAKNGLRSA-N 0 3 195.262 1.251 10 10 ADCEHN C[C@@H](O)[C@@H](C)[NH2+]Cc1ccccc1[O-] 162953364 630054010 /nfs/dbraw/zinc/05/40/10/630054010.db2.gz RERQGWFGUKOEBG-RKDXNWHRSA-N 0 3 195.262 1.251 10 10 ADCEHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@@H](C)O 162953238 630054161 /nfs/dbraw/zinc/05/41/61/630054161.db2.gz RERQGWFGUKOEBG-DTWKUNHWSA-N 0 3 195.262 1.251 10 10 ADCEHN COc1ccc2c(c1)[C@@H](N)CCN2C 20446639 525574137 /nfs/dbraw/zinc/57/41/37/525574137.db2.gz CHQHVSZCKLLKBI-JTQLQIEISA-N 0 3 192.262 1.535 10 10 ADCEHN