smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=[NH+]CCCN1c1ccc(N)cc1 11847811 535254158 /nfs/dbraw/zinc/25/41/58/535254158.db2.gz URSDTMCASILUEH-UHFFFAOYSA-N 1 0 189.262 1.897 10 10 ADCERO COc1ccc2c(c1)[C@H]([NH3+])CCN2C 20446636 537010692 /nfs/dbraw/zinc/01/06/92/537010692.db2.gz CHQHVSZCKLLKBI-SNVBAGLBSA-N 1 0 192.262 1.535 10 10 ADCERO [NH3+]C/C=C\c1ccc(F)c(O)c1O 687680176 571922984 /nfs/dbraw/zinc/92/29/84/571922984.db2.gz YQBJCEBNSSDXOC-UPHRSURJSA-N 1 0 183.182 1.209 10 10 ADCERO C[C@H](O)[C@@H]([NH3+])c1ccc(N(C)C)cc1 41206839 571983596 /nfs/dbraw/zinc/98/35/96/571983596.db2.gz FETDJDVRCQKPFT-GZMMTYOYSA-N 1 0 194.278 1.133 10 10 ADCERO COCCN(C)c1ccc(C[NH3+])cc1 34653738 572006410 /nfs/dbraw/zinc/00/64/10/572006410.db2.gz BPQDERZHCDLWAU-UHFFFAOYSA-N 1 0 194.278 1.228 10 10 ADCERO CC[C@H]([NH3+])Cc1ccc(O)c(O)c1O 33861515 572039870 /nfs/dbraw/zinc/03/98/70/572039870.db2.gz LXDBNMYXFKPSSE-ZETCQYMHSA-N 1 0 197.234 1.083 10 10 ADCERO C[N@H+](CCc1ccc(N)cc1)C1CC1 37081273 572087843 /nfs/dbraw/zinc/08/78/43/572087843.db2.gz UWALZYRIMQDUAH-UHFFFAOYSA-N 1 0 190.290 1.906 10 10 ADCERO C[C@@H]1Cc2cc(O)c(O)cc2[C@@H](C)[NH2+]1 71485101 572108179 /nfs/dbraw/zinc/10/81/79/572108179.db2.gz KOGYNXRFBISGEZ-RNFRBKRXSA-N 1 0 193.246 1.693 10 10 ADCERO CN(CC1CC1)c1ccc(C[NH3+])cc1 37865087 572224997 /nfs/dbraw/zinc/22/49/97/572224997.db2.gz ICFSMLBKHJHKFW-UHFFFAOYSA-N 1 0 190.290 1.992 10 10 ADCERO CCc1ccc(O)c([C@@H]([NH3+])COC)c1 238283431 572518732 /nfs/dbraw/zinc/51/87/32/572518732.db2.gz QTHFTXNGXBVHOQ-JTQLQIEISA-N 1 0 195.262 1.601 10 10 ADCERO CC(C)c1ccc(O)c([C@H]([NH3+])CO)c1 72197755 572611911 /nfs/dbraw/zinc/61/19/11/572611911.db2.gz PSZVEXLUHGHQAA-SNVBAGLBSA-N 1 0 195.262 1.508 10 10 ADCERO CC(C)c1ccc(O)c([C@H]([NH3+])CN)c1 72200431 572639390 /nfs/dbraw/zinc/63/93/90/572639390.db2.gz TYSNNNWIKKOWEP-SNVBAGLBSA-N 1 0 194.278 1.474 10 10 ADCERO [NH3+][C@H](CNC1CC1)c1ccccc1O 258223307 573017798 /nfs/dbraw/zinc/01/77/98/573017798.db2.gz QYJNRSCYLSSKGV-SNVBAGLBSA-N 1 0 192.262 1.144 10 10 ADCERO Cc1cc(O)c([C@@H](C)[NH3+])c(O)c1 104575597 573023174 /nfs/dbraw/zinc/02/31/74/573023174.db2.gz XOSVDOFCWUOWTL-ZCFIWIBFSA-N 1 0 167.208 1.426 10 10 ADCERO CC[C@H]([NH3+])c1c(O)cc(C)cc1O 104575604 573026227 /nfs/dbraw/zinc/02/62/27/573026227.db2.gz QJYPXOIDFNLGNZ-ZETCQYMHSA-N 1 0 181.235 1.816 10 10 ADCERO CCOc1cc([C@H](C)[NH3+])cc(O)c1O 238272170 573083978 /nfs/dbraw/zinc/08/39/78/573083978.db2.gz LDOBADVHXGSPCO-LURJTMIESA-N 1 0 197.234 1.516 10 10 ADCERO CCOc1ccc2c(c1O)[C@@H]([NH3+])CO2 238287800 573117815 /nfs/dbraw/zinc/11/78/15/573117815.db2.gz JLXZLYTZZAQMGJ-LURJTMIESA-N 1 0 195.218 1.183 10 10 ADCERO C[NH+](C)[C@@H]1C[C@@H]1c1ccc(O)c(O)c1 238290892 573148203 /nfs/dbraw/zinc/14/82/03/573148203.db2.gz DBSWGRFYUPDTSK-RKDXNWHRSA-N 1 0 193.246 1.515 10 10 ADCERO CC(=O)[C@@H]([NH3+])c1cc(C)ccc1O 104672631 573157183 /nfs/dbraw/zinc/15/71/83/573157183.db2.gz ZFMFIKJEXLOYEG-SNVBAGLBSA-N 1 0 179.219 1.289 10 10 ADCERO Oc1ccc(O)c(C[NH+]2CCCC2)c1 1141156371 757987694 /nfs/dbraw/zinc/98/76/94/757987694.db2.gz VIAAEOYHIOYGIM-UHFFFAOYSA-N 1 0 193.246 1.694 10 10 ADCERO C[NH+](C)[C@H]1C[C@H]1c1ccc(O)c(O)c1 238300562 573186920 /nfs/dbraw/zinc/18/69/20/573186920.db2.gz DBSWGRFYUPDTSK-IUCAKERBSA-N 1 0 193.246 1.515 10 10 ADCERO Oc1ccccc1[C@@H]1CCC[C@@H](O)[NH2+]1 258484425 573202302 /nfs/dbraw/zinc/20/23/02/573202302.db2.gz FITIOHLTHDWZSF-GXSJLCMTSA-N 1 0 193.246 1.525 10 10 ADCERO CCc1cc(N)c(O)c([C@@H]([NH3+])CC)c1 238311754 573204830 /nfs/dbraw/zinc/20/48/30/573204830.db2.gz OHCJFRQYEVCYBN-VIFPVBQESA-N 1 0 194.278 1.947 10 10 ADCERO Oc1ccccc1[C@@H]1CCC[C@H](O)[NH2+]1 258484434 573205210 /nfs/dbraw/zinc/20/52/10/573205210.db2.gz FITIOHLTHDWZSF-ONGXEEELSA-N 1 0 193.246 1.525 10 10 ADCERO C[C@H]1CN(C)c2ccc(C[NH3+])cc2N1 259374926 573207967 /nfs/dbraw/zinc/20/79/67/573207967.db2.gz VSCKIBQVLWQLKG-QMMMGPOBSA-N 1 0 191.278 1.396 10 10 ADCERO CC[C@H]([NH3+])c1cc(N)cc(C)c1O 238313462 573208398 /nfs/dbraw/zinc/20/83/98/573208398.db2.gz OIJMGEWIUORNDH-VIFPVBQESA-N 1 0 180.251 1.693 10 10 ADCERO CC[C@H]([NH3+])c1c(O)cccc1CO 238309440 573223953 /nfs/dbraw/zinc/22/39/53/573223953.db2.gz XERCHKZGKJVBQC-QMMMGPOBSA-N 1 0 181.235 1.294 10 10 ADCERO CC[C@H]([NH3+])c1c(O)cc(O)cc1F 238309344 573224270 /nfs/dbraw/zinc/22/42/70/573224270.db2.gz OAZKTGTUBYRDTR-ZETCQYMHSA-N 1 0 185.198 1.647 10 10 ADCERO CC[C@H]([NH3+])c1c(N)ccc(OC)c1O 238309123 573224598 /nfs/dbraw/zinc/22/45/98/573224598.db2.gz QUCXIMVFDIKTRJ-LURJTMIESA-N 1 0 196.250 1.393 10 10 ADCERO CC1(C)C[NH2+][C@H](c2ccccc2O)O1 258596000 573229792 /nfs/dbraw/zinc/22/97/92/573229792.db2.gz QMGRGOHYHDATGN-JTQLQIEISA-N 1 0 193.246 1.789 10 10 ADCERO C[C@@H]1C[NH2+][C@H](c2ccccc2O)OC1 258487414 573235972 /nfs/dbraw/zinc/23/59/72/573235972.db2.gz LMRGNJROSCTDMR-KCJUWKMLSA-N 1 0 193.246 1.647 10 10 ADCERO CC[C@H]([NH3+])c1cc(OC)cc(O)c1O 238314229 573238766 /nfs/dbraw/zinc/23/87/66/573238766.db2.gz JDJYMFCBMMSGAA-QMMMGPOBSA-N 1 0 197.234 1.516 10 10 ADCERO C[NH2+][C@@H](C)c1cc(C)cc(N)c1O 238324278 573240698 /nfs/dbraw/zinc/24/06/98/573240698.db2.gz GZVTZIANBGJHOJ-ZETCQYMHSA-N 1 0 180.251 1.563 10 10 ADCERO C[NH+](C)CCc1cccc(O)c1O 238315506 573243011 /nfs/dbraw/zinc/24/30/11/573243011.db2.gz JKQLFDRJONJYLG-UHFFFAOYSA-N 1 0 181.235 1.202 10 10 ADCERO CC[C@H]([NH3+])c1ccc(OC)c(O)c1O 238317199 573245992 /nfs/dbraw/zinc/24/59/92/573245992.db2.gz SUWILECOLMPUAF-ZETCQYMHSA-N 1 0 197.234 1.516 10 10 ADCERO CC[C@H]([NH3+])c1ccc(N)c(F)c1O 238316570 573249298 /nfs/dbraw/zinc/24/92/98/573249298.db2.gz NUBIVAMUQDQIJX-LURJTMIESA-N 1 0 184.214 1.523 10 10 ADCERO CC[C@H]([NH3+])c1ccc(O)c(C)c1O 238316852 573249606 /nfs/dbraw/zinc/24/96/06/573249606.db2.gz LVDYTSIFFOIHDT-QMMMGPOBSA-N 1 0 181.235 1.816 10 10 ADCERO [NH3+]C1(c2c(O)cccc2O)CCCC1 257981486 573257092 /nfs/dbraw/zinc/25/70/92/573257092.db2.gz DSRGEJQWIVRBKQ-UHFFFAOYSA-N 1 0 193.246 1.826 10 10 ADCERO Cc1cc(CC(C)(C)[NH3+])cc(O)c1O 257986926 573272981 /nfs/dbraw/zinc/27/29/81/573272981.db2.gz FCUFQPMJQGRNTI-UHFFFAOYSA-N 1 0 195.262 1.686 10 10 ADCERO Cc1cc(CCC[NH3+])c(F)c(O)c1O 258270391 573273152 /nfs/dbraw/zinc/27/31/52/573273152.db2.gz ZDULHLZRKPPSEG-UHFFFAOYSA-N 1 0 199.225 1.437 10 10 ADCERO [NH3+]CC1(c2cccc(O)c2O)CCC1 257991317 573275926 /nfs/dbraw/zinc/27/59/26/573275926.db2.gz FOGMGBCJNKIQFY-UHFFFAOYSA-N 1 0 193.246 1.478 10 10 ADCERO CN(C)c1ccc2c(c1)COC[C@H]2[NH3+] 238331034 573279298 /nfs/dbraw/zinc/27/92/98/573279298.db2.gz XDBIAHWPAJDRJV-LLVKDONJSA-N 1 0 192.262 1.283 10 10 ADCERO CCc1cc(N)c(O)c([C@H](C)[NH3+])c1 238332846 573283716 /nfs/dbraw/zinc/28/37/16/573283716.db2.gz BMMBNCWPKYYQGS-LURJTMIESA-N 1 0 180.251 1.557 10 10 ADCERO CC[C@H]([NH3+])C(=O)c1ccc(O)c(O)c1 74245098 573284725 /nfs/dbraw/zinc/28/47/25/573284725.db2.gz SRELCPJJZUFVLV-ZETCQYMHSA-N 1 0 195.218 1.018 10 10 ADCERO C[NH2+][C@H](C)c1cc(N)cc(F)c1O 238332460 573284732 /nfs/dbraw/zinc/28/47/32/573284732.db2.gz PUDQQLQLCXSPDB-RXMQYKEDSA-N 1 0 184.214 1.394 10 10 ADCERO CC(C)[C@@H]([NH3+])Cc1ccc(O)c(O)c1 74244210 573285096 /nfs/dbraw/zinc/28/50/96/573285096.db2.gz CXPPNZSQLZSFHV-VIFPVBQESA-N 1 0 195.262 1.624 10 10 ADCERO C[NH2+][C@H](C)c1cc(F)cc(OC)c1O 238331567 573285110 /nfs/dbraw/zinc/28/51/10/573285110.db2.gz AMYMNAUXQCDKRA-ZCFIWIBFSA-N 1 0 199.225 1.820 10 10 ADCERO Cc1cc(CC[NH3+])c(F)c(O)c1O 257994108 573290534 /nfs/dbraw/zinc/29/05/34/573290534.db2.gz FWSURUSZBYSXPF-UHFFFAOYSA-N 1 0 185.198 1.047 10 10 ADCERO Cc1c([C@@H](C)C[NH3+])cc(O)c(O)c1C 257996771 573293971 /nfs/dbraw/zinc/29/39/71/573293971.db2.gz GDSFXPHNFSZPTQ-LURJTMIESA-N 1 0 195.262 1.777 10 10 ADCERO Cn1c(CC[NH3+])ccc1-c1ccc[nH]1 74275514 573296427 /nfs/dbraw/zinc/29/64/27/573296427.db2.gz LTDQRLSYIMVWHI-UHFFFAOYSA-N 1 0 189.262 1.521 10 10 ADCERO CO[C@@H](c1ccc(O)c(O)c1)[C@H](C)[NH3+] 238335810 573297731 /nfs/dbraw/zinc/29/77/31/573297731.db2.gz MERTWYJVRRDIDS-QUBYGPBYSA-N 1 0 197.234 1.133 10 10 ADCERO C[C@@H]1CO[C@H](c2ccccc2O)[NH2+]1 258623353 573297802 /nfs/dbraw/zinc/29/78/02/573297802.db2.gz RIOYJZYLNOFTLW-GMSGAONNSA-N 1 0 179.219 1.399 10 10 ADCERO N#[N+]CC(=O)c1ccc(F)c(Cl)c1 106876358 573323754 /nfs/dbraw/zinc/32/37/54/573323754.db2.gz ZTRFPCJPDHZSTC-UHFFFAOYSA-N 1 0 198.584 1.962 10 10 ADCERO COc1ccc([C@H](C)[NH3+])c(O)c1O 238343252 573328130 /nfs/dbraw/zinc/32/81/30/573328130.db2.gz LDPLXWVEUNLBKP-YFKPBYRVSA-N 1 0 183.207 1.126 10 10 ADCERO C[NH2+][C@H](CO)c1cc(C)cc(C)c1O 238359292 573331025 /nfs/dbraw/zinc/33/10/25/573331025.db2.gz OZNHPAUKLLMHSF-SNVBAGLBSA-N 1 0 195.262 1.262 10 10 ADCERO CCCOc1ccc(C[NH2+]C)c(O)c1 50273160 573341971 /nfs/dbraw/zinc/34/19/71/573341971.db2.gz REQOJNXBDZEIAY-UHFFFAOYSA-N 1 0 195.262 1.900 10 10 ADCERO CC(C)N1CCc2cc(C[NH3+])ccc21 258005476 573343351 /nfs/dbraw/zinc/34/33/51/573343351.db2.gz GHQKATYMECVHDF-UHFFFAOYSA-N 1 0 190.290 1.916 10 10 ADCERO COC[C@H]([NH3+])c1c(C)cc(C)cc1O 238356174 573344838 /nfs/dbraw/zinc/34/48/38/573344838.db2.gz IICMHEKMAOZKFD-VIFPVBQESA-N 1 0 195.262 1.655 10 10 ADCERO COc1ccc(C)c([C@@H]([NH3+])CF)c1O 238363290 573346975 /nfs/dbraw/zinc/34/69/75/573346975.db2.gz UTUSRWYGKUKWFE-ZETCQYMHSA-N 1 0 199.225 1.679 10 10 ADCERO Cc1ccc(CC2([NH3+])CC2)c(O)c1O 258006178 573351942 /nfs/dbraw/zinc/35/19/42/573351942.db2.gz GYNNZLITXVYFHR-UHFFFAOYSA-N 1 0 193.246 1.440 10 10 ADCERO [NH3+]C1(c2ccccc2O)CC=CC1 258328112 573374849 /nfs/dbraw/zinc/37/48/49/573374849.db2.gz URVCGNDQAJGPAI-UHFFFAOYSA-N 1 0 175.231 1.896 10 10 ADCERO COc1cc(N)c(O)c([C@@H](C)[NH3+])c1 238374886 573382837 /nfs/dbraw/zinc/38/28/37/573382837.db2.gz XIUFYCFWYMRXJT-RXMQYKEDSA-N 1 0 182.223 1.003 10 10 ADCERO COC[C@@H]([NH3+])c1c(C)cccc1O 238375128 573385499 /nfs/dbraw/zinc/38/54/99/573385499.db2.gz FKFDZBMIYZTXCA-MRVPVSSYSA-N 1 0 181.235 1.347 10 10 ADCERO C[C@]([NH3+])(c1ccccc1O)C1CC1 107165805 573395710 /nfs/dbraw/zinc/39/57/10/573395710.db2.gz LONPSBKRXIZVOT-LLVKDONJSA-N 1 0 177.247 1.976 10 10 ADCERO CCn1ccc(C[C@H](C)[NH2+]C)cc1=O 257810106 573396161 /nfs/dbraw/zinc/39/61/61/573396161.db2.gz AEGMKWLDUINXGB-VIFPVBQESA-N 1 0 194.278 1.019 10 10 ADCERO CC[C@H]([NH3+])c1cc(N)cc(F)c1O 211735144 573402943 /nfs/dbraw/zinc/40/29/43/573402943.db2.gz OPBMCQHCXNEZEU-QMMMGPOBSA-N 1 0 184.214 1.523 10 10 ADCERO CO[C@H](c1ccc(O)c(O)c1)[C@@H](C)[NH3+] 238389283 573406138 /nfs/dbraw/zinc/40/61/38/573406138.db2.gz MERTWYJVRRDIDS-LDWIPMOCSA-N 1 0 197.234 1.133 10 10 ADCERO Cc1cc(C[C@H](C)[NH3+])cc(O)c1O 258020307 573406250 /nfs/dbraw/zinc/40/62/50/573406250.db2.gz OBDVULWHJGZQFC-ZETCQYMHSA-N 1 0 181.235 1.296 10 10 ADCERO COc1cc(O)c(C[NH+](C)C)cc1O 238391305 573423474 /nfs/dbraw/zinc/42/34/74/573423474.db2.gz NYBJPNUQJAJFJZ-UHFFFAOYSA-N 1 0 197.234 1.168 10 10 ADCERO COc1cc(O)cc([C@H](C)[NH3+])c1O 238395407 573436455 /nfs/dbraw/zinc/43/64/55/573436455.db2.gz WKVCQJAGFVXMAW-YFKPBYRVSA-N 1 0 183.207 1.126 10 10 ADCERO C[NH+](C)[C@H]1CCNc2cccc(O)c21 257813305 573436862 /nfs/dbraw/zinc/43/68/62/573436862.db2.gz CBPWGJSNMPMREL-VIFPVBQESA-N 1 0 192.262 1.811 10 10 ADCERO Oc1cc([C@@H]2CCC[NH2+]2)cc(F)c1O 258021708 573436915 /nfs/dbraw/zinc/43/69/15/573436915.db2.gz IHPITRHSPJYSOM-QMMMGPOBSA-N 1 0 197.209 1.661 10 10 ADCERO [NH3+]C1(c2ccc(O)c(O)c2F)CCC1 258021684 573440358 /nfs/dbraw/zinc/44/03/58/573440358.db2.gz IHKDCFYKPKIULG-UHFFFAOYSA-N 1 0 197.209 1.575 10 10 ADCERO C[C@]1(c2ccccc2O)CC[NH2+]1 258345017 573440653 /nfs/dbraw/zinc/44/06/53/573440653.db2.gz VQNYRSDWJFEOJW-SNVBAGLBSA-N 1 0 163.220 1.601 10 10 ADCERO C[C@H]1CCN(c2ccc(C[NH3+])cc2)C1 40716729 571961588 /nfs/dbraw/zinc/96/15/88/571961588.db2.gz NIOQLNOOSRHVFF-JTQLQIEISA-N 1 0 190.290 1.992 10 10 ADCERO Cc1ccc(C[C@@H](C)[NH3+])c(O)c1O 258039747 573490658 /nfs/dbraw/zinc/49/06/58/573490658.db2.gz QCLJXOHPYMARAD-SSDOTTSWSA-N 1 0 181.235 1.296 10 10 ADCERO C[C@@H]1Cc2cc(O)c(O)cc2C[NH2+]1 33641860 572028363 /nfs/dbraw/zinc/02/83/63/572028363.db2.gz GAYCCAXXEKOMIU-ZCFIWIBFSA-N 1 0 179.219 1.132 10 10 ADCERO Cc1cc([C@@H](C)[NH3+])c(F)c(O)c1O 258042464 573492478 /nfs/dbraw/zinc/49/24/78/573492478.db2.gz JXEDNASMKAFPQJ-RXMQYKEDSA-N 1 0 185.198 1.565 10 10 ADCERO Cc1ccc([C@@H](C)C[NH3+])c(O)c1O 258048252 573506192 /nfs/dbraw/zinc/50/61/92/573506192.db2.gz QXNJSQXIPJLFRL-ZETCQYMHSA-N 1 0 181.235 1.468 10 10 ADCERO Cc1c(O)cc([C@H](C)[NH3+])c(O)c1C 238422828 573511970 /nfs/dbraw/zinc/51/19/70/573511970.db2.gz FKXKKVZXCJLXQC-ZETCQYMHSA-N 1 0 181.235 1.734 10 10 ADCERO C[C@H]([NH3+])c1cc(O)c(F)cc1O 238422930 573512081 /nfs/dbraw/zinc/51/20/81/573512081.db2.gz WCCBFBXAONWMFR-BYPYZUCNSA-N 1 0 171.171 1.257 10 10 ADCERO COC[C@@H]1Cc2cccc(O)c2C[NH2+]1 257823771 573512184 /nfs/dbraw/zinc/51/21/84/573512184.db2.gz GRGXOWDYZPJIGO-VIFPVBQESA-N 1 0 193.246 1.053 10 10 ADCERO C[C@H]([NH3+])c1cc(O)c(Cl)cc1O 238422875 573511948 /nfs/dbraw/zinc/51/19/48/573511948.db2.gz NOFUJHOSIHSLLN-BYPYZUCNSA-N 1 0 187.626 1.771 10 10 ADCERO Cc1cc(O)c([C@H](C)[NH3+])cc1N 238422367 573513267 /nfs/dbraw/zinc/51/32/67/573513267.db2.gz IYWFCJOHNIMCAE-LURJTMIESA-N 1 0 166.224 1.303 10 10 ADCERO C[NH2+]Cc1c([O-])ccc(F)c1F 107333304 573531939 /nfs/dbraw/zinc/53/19/39/573531939.db2.gz ZRYROPYRURENGW-UHFFFAOYSA-N 1 0 173.162 1.390 10 10 ADCERO Cc1cc(O)c(O)cc1C[C@H](C)[NH3+] 257828356 573535773 /nfs/dbraw/zinc/53/57/73/573535773.db2.gz IJHQPTYVAIBCFC-ZETCQYMHSA-N 1 0 181.235 1.296 10 10 ADCERO COc1c(O)ccc(O)c1[C@H](C)[NH3+] 238435409 573541608 /nfs/dbraw/zinc/54/16/08/573541608.db2.gz QURLPYJHOFSZFG-YFKPBYRVSA-N 1 0 183.207 1.126 10 10 ADCERO C[C@@H](Sc1nccs1)C(N)=[NH2+] 49832653 572817729 /nfs/dbraw/zinc/81/77/29/572817729.db2.gz FAXLXIIYTIZAGI-SCSAIBSYSA-N 1 0 187.293 1.560 10 10 ADCERO C[C@H]1CC[N@@H+]1CCc1ccc(N)cc1 86678154 573562910 /nfs/dbraw/zinc/56/29/10/573562910.db2.gz ZKMMGRIZULYEKQ-JTQLQIEISA-N 1 0 190.290 1.906 10 10 ADCERO C[C@H](c1ccccc1O)N1CC([NH3+])C1 83634688 573572966 /nfs/dbraw/zinc/57/29/66/573572966.db2.gz BHWZUHWILSJLJN-MRVPVSSYSA-N 1 0 192.262 1.096 10 10 ADCERO CO[C@@H](C)CNc1ccc(N)cc1 145275155 573576707 /nfs/dbraw/zinc/57/67/07/573576707.db2.gz XEOVPHDQYSDROI-QMMMGPOBSA-N 1 0 180.251 1.716 10 10 ADCERO COc1cc([C@H](C)[NH3+])cc(O)c1O 145272449 573576730 /nfs/dbraw/zinc/57/67/30/573576730.db2.gz KNJKCNZGJHXZGY-YFKPBYRVSA-N 1 0 183.207 1.126 10 10 ADCERO C[NH+](C)C1CN(c2ccc(N)cc2)C1 113279419 572998771 /nfs/dbraw/zinc/99/87/71/572998771.db2.gz GPMQKWXGPNVWPB-UHFFFAOYSA-N 1 0 191.278 1.019 10 10 ADCERO Cc1c(F)ccc(O)c1[C@@H]1CC[NH2+]1 104575454 573023591 /nfs/dbraw/zinc/02/35/91/573023591.db2.gz HUTJPDIIXXTXHJ-QMMMGPOBSA-N 1 0 181.210 1.874 10 10 ADCERO Cc1c(F)ccc(O)c1[C@@H](C)[NH3+] 104574938 573023675 /nfs/dbraw/zinc/02/36/75/573023675.db2.gz DATFJBJCOMKBPY-ZCFIWIBFSA-N 1 0 169.199 1.859 10 10 ADCERO Cc1cn(C)c2cccc(CC[NH3+])c12 258229453 573024636 /nfs/dbraw/zinc/02/46/36/573024636.db2.gz WINCEJUJNJQKHV-UHFFFAOYSA-N 1 0 188.274 1.988 10 10 ADCERO Cc1c(F)ccc(O)c1[C@H]1CC[NH2+]1 104575457 573027632 /nfs/dbraw/zinc/02/76/32/573027632.db2.gz HUTJPDIIXXTXHJ-MRVPVSSYSA-N 1 0 181.210 1.874 10 10 ADCERO CC[NH2+]Cc1ccc(N)cc1O 238264046 573063284 /nfs/dbraw/zinc/06/32/84/573063284.db2.gz XVPOTWLDLYJYBE-UHFFFAOYSA-N 1 0 166.224 1.084 10 10 ADCERO C[C@H](C[NH3+])c1cccc(O)c1O 114275522 573069129 /nfs/dbraw/zinc/06/91/29/573069129.db2.gz SUQTUQIJLDLCFV-ZCFIWIBFSA-N 1 0 167.208 1.160 10 10 ADCERO CC[C@](C)([NH3+])Cc1ccc(N)cc1 238284491 573135111 /nfs/dbraw/zinc/13/51/11/573135111.db2.gz PXLQIPCUWCBNSR-NSHDSACASA-N 1 0 178.279 1.939 10 10 ADCERO C[C@@H]([NH3+])c1c(Cl)ccc(O)c1O 257955927 573137605 /nfs/dbraw/zinc/13/76/05/573137605.db2.gz BIZIGTXNDDOFMJ-SCSAIBSYSA-N 1 0 187.626 1.771 10 10 ADCERO COC[C@@H]([NH3+])c1ccc(C)cc1O 104667050 573150904 /nfs/dbraw/zinc/15/09/04/573150904.db2.gz XTCKIKDJEJFGJS-SECBINFHSA-N 1 0 181.235 1.347 10 10 ADCERO COC[C@H]([NH3+])c1ccc(C)cc1O 104669983 573161447 /nfs/dbraw/zinc/16/14/47/573161447.db2.gz XTCKIKDJEJFGJS-VIFPVBQESA-N 1 0 181.235 1.347 10 10 ADCERO CN(C)c1ccc2c(c1)[C@@H]([NH3+])CCO2 104676261 573173837 /nfs/dbraw/zinc/17/38/37/573173837.db2.gz QBWOOFLEESICOA-JTQLQIEISA-N 1 0 192.262 1.535 10 10 ADCERO Oc1cc([C@@H]2CCC[NH2+]2)cc(O)c1O 104682328 573183141 /nfs/dbraw/zinc/18/31/41/573183141.db2.gz MIZQNKCQSZOMSB-ZETCQYMHSA-N 1 0 195.218 1.228 10 10 ADCERO CCC[NH2+]CC/C=C\c1nccn1C 211656612 573195669 /nfs/dbraw/zinc/19/56/69/573195669.db2.gz NQSQWMOTGMONLY-XQRVVYSFSA-N 1 0 193.294 1.823 10 10 ADCERO Oc1ccc([C@H]2CC[NH2+]C2)c(F)c1O 257972854 573212503 /nfs/dbraw/zinc/21/25/03/573212503.db2.gz DATGOBNDYKIJKK-LURJTMIESA-N 1 0 197.209 1.314 10 10 ADCERO C[C@@H]1CN(C)c2ccc(C[NH3+])cc2N1 259374923 573211639 /nfs/dbraw/zinc/21/16/39/573211639.db2.gz VSCKIBQVLWQLKG-MRVPVSSYSA-N 1 0 191.278 1.396 10 10 ADCERO [NH3+]Cc1ccc2c(c1O)CCCC2 257971445 573212020 /nfs/dbraw/zinc/21/20/20/573212020.db2.gz IJPWZHKKESIVKT-UHFFFAOYSA-N 1 0 177.247 1.730 10 10 ADCERO CC[C@H]([NH3+])c1cc(O)cc(F)c1O 238313903 573212175 /nfs/dbraw/zinc/21/21/75/573212175.db2.gz AUPRKBIISHQIDM-QMMMGPOBSA-N 1 0 185.198 1.647 10 10 ADCERO CC[C@H]([NH3+])c1cc(O)c(OC)cc1O 238313794 573212187 /nfs/dbraw/zinc/21/21/87/573212187.db2.gz IFUGFZZOEFLTNL-ZETCQYMHSA-N 1 0 197.234 1.516 10 10 ADCERO CC[C@H]([NH3+])c1cc(O)c(C)cc1O 238313653 573212317 /nfs/dbraw/zinc/21/23/17/573212317.db2.gz PEKCZUXGSOOJCS-QMMMGPOBSA-N 1 0 181.235 1.816 10 10 ADCERO CC[C@H]([NH3+])c1cc(O)cc(C)c1O 238313888 573215246 /nfs/dbraw/zinc/21/52/46/573215246.db2.gz AGXQITLABNVFTO-VIFPVBQESA-N 1 0 181.235 1.816 10 10 ADCERO Oc1ccc([C@@H]2CC[NH2+]C2)c(F)c1O 257972856 573217313 /nfs/dbraw/zinc/21/73/13/573217313.db2.gz DATGOBNDYKIJKK-ZCFIWIBFSA-N 1 0 197.209 1.314 10 10 ADCERO CC[C@H]([NH3+])c1c(O)ccc(O)c1N 238309105 573222454 /nfs/dbraw/zinc/22/24/54/573222454.db2.gz YQZMZXXWUBJKMU-YFKPBYRVSA-N 1 0 182.223 1.090 10 10 ADCERO CC[C@H]([NH3+])c1c(O)ccc(OC)c1O 238309415 573223072 /nfs/dbraw/zinc/22/30/72/573223072.db2.gz ZWQLYSGKYZTHAH-LURJTMIESA-N 1 0 197.234 1.516 10 10 ADCERO C[NH2+][C@@H](C)c1c(O)cc(C)cc1O 238322337 573229137 /nfs/dbraw/zinc/22/91/37/573229137.db2.gz KVDSPEWCGXUXEA-ZETCQYMHSA-N 1 0 181.235 1.687 10 10 ADCERO Cc1cc([C@H]([NH3+])CO)ccc1N(C)C 238314978 573236633 /nfs/dbraw/zinc/23/66/33/573236633.db2.gz XLIIUTPOTZMKPK-SNVBAGLBSA-N 1 0 194.278 1.053 10 10 ADCERO CC[C@H]([NH3+])c1ccc(F)c(O)c1O 238316050 573244618 /nfs/dbraw/zinc/24/46/18/573244618.db2.gz IEFHQDGGZQRNTC-ZETCQYMHSA-N 1 0 185.198 1.647 10 10 ADCERO C[C@H]1C[NH2+][C@@H](c2ccccc2O)O1 258614174 573259061 /nfs/dbraw/zinc/25/90/61/573259061.db2.gz QYWSTPXMUJODKZ-OIBJUYFYSA-N 1 0 179.219 1.399 10 10 ADCERO C[C@H]1C[NH2+][C@H](c2ccccc2O)O1 258614178 573262483 /nfs/dbraw/zinc/26/24/83/573262483.db2.gz QYWSTPXMUJODKZ-XVKPBYJWSA-N 1 0 179.219 1.399 10 10 ADCERO C[C@@H](CC[NH3+])c1c(F)ccc(O)c1O 258279528 573289725 /nfs/dbraw/zinc/28/97/25/573289725.db2.gz ZYZMZZWDTYWZSP-LURJTMIESA-N 1 0 199.225 1.689 10 10 ADCERO CC[N@H+](C)Cc1cccc(OC)c1O 132545378 573312946 /nfs/dbraw/zinc/31/29/46/573312946.db2.gz JPMXIJAQAUGUBN-UHFFFAOYSA-N 1 0 195.262 1.853 10 10 ADCERO C[C@H]([NH2+]CCF)c1ccc(O)cc1O 308562024 573356837 /nfs/dbraw/zinc/35/68/37/573356837.db2.gz WNGPRMGOFVYLIG-ZETCQYMHSA-N 1 0 199.225 1.718 10 10 ADCERO CN(C)C(=[NH2+])Nc1ccc(N)cc1 117744045 573361206 /nfs/dbraw/zinc/36/12/06/573361206.db2.gz MHKRHEUNMBURQE-UHFFFAOYSA-N 1 0 178.239 1.177 10 10 ADCERO Cn1ccc2c(C[NH3+])c(O)ccc21 107125396 573363547 /nfs/dbraw/zinc/36/35/47/573363547.db2.gz JUTXTYOLMOQVEP-UHFFFAOYSA-N 1 0 176.219 1.343 10 10 ADCERO [NH3+]Cc1ccc(N2C[C@H]3C[C@H]3C2)cc1 107133604 573368420 /nfs/dbraw/zinc/36/84/20/573368420.db2.gz LAXCSFGAYRGPDL-PHIMTYICSA-N 1 0 188.274 1.601 10 10 ADCERO Nc1ccc(C[N@H+]2C[C@H]3C[C@H]3C2)cc1 107133595 573368589 /nfs/dbraw/zinc/36/85/89/573368589.db2.gz AXRVBOHFVNNRCX-PHIMTYICSA-N 1 0 188.274 1.721 10 10 ADCERO CC[C@H]1C[NH2+]Cc2c(O)cccc21 258323004 573368801 /nfs/dbraw/zinc/36/88/01/573368801.db2.gz UMCWZTASPCKTNW-QMMMGPOBSA-N 1 0 177.247 1.989 10 10 ADCERO CCOc1ccc(C(=O)C[N+]#N)cc1 78950735 573369869 /nfs/dbraw/zinc/36/98/69/573369869.db2.gz KJJOSTFTENNHDA-UHFFFAOYSA-N 1 0 190.202 1.569 10 10 ADCERO Cc1cc(C(C)(C)[NH3+])c(O)c(O)c1C 258008546 573369423 /nfs/dbraw/zinc/36/94/23/573369423.db2.gz HCWWNSSXLLAKQF-UHFFFAOYSA-N 1 0 195.262 1.908 10 10 ADCERO CC(C)[C@H]([NH3+])c1c(F)ccc(N)c1O 211710278 573382114 /nfs/dbraw/zinc/38/21/14/573382114.db2.gz VPTXRNNFVMSOIQ-VIFPVBQESA-N 1 0 198.241 1.769 10 10 ADCERO COc1c(C)ccc(C(C)(C)[NH3+])c1O 258011382 573382419 /nfs/dbraw/zinc/38/24/19/573382419.db2.gz HJRUTRYWIBCRDW-UHFFFAOYSA-N 1 0 195.262 1.903 10 10 ADCERO CN1CCC[C@H]([NH3+])c2c(O)cccc21 257804646 573390620 /nfs/dbraw/zinc/39/06/20/573390620.db2.gz SZONECAEGPYZRD-QMMMGPOBSA-N 1 0 192.262 1.622 10 10 ADCERO COC[NH2+]Cc1ccc2c(c1)CCO2 259094112 573392386 /nfs/dbraw/zinc/39/23/86/573392386.db2.gz NSODHTFKSRASPA-UHFFFAOYSA-N 1 0 193.246 1.315 10 10 ADCERO C[C@@H]([NH3+])C1=CSCC1=O 238379146 573392551 /nfs/dbraw/zinc/39/25/51/573392551.db2.gz CYFZMLAXZPJBTM-SCSAIBSYSA-N 1 0 143.211 1.473 10 10 ADCERO [NH3+][C@H]1CCSc2cccc(O)c21 107169771 573397788 /nfs/dbraw/zinc/39/77/88/573397788.db2.gz AWJPWXFYVWPJID-LURJTMIESA-N 1 0 181.260 1.888 10 10 ADCERO COc1cccc(O)c1C1([NH3+])CCC1 238381576 573410591 /nfs/dbraw/zinc/41/05/91/573410591.db2.gz SZWOZKNPOIYQDV-UHFFFAOYSA-N 1 0 193.246 1.739 10 10 ADCERO CC[C@H]([NH3+])c1c(F)ccc(OC)c1O 211751795 573422138 /nfs/dbraw/zinc/42/21/38/573422138.db2.gz KWTLGMJVRYYBIX-ZETCQYMHSA-N 1 0 199.225 1.950 10 10 ADCERO C[C@H](C[NH3+])c1cc(O)c(O)c(F)c1 258030194 573430152 /nfs/dbraw/zinc/43/01/52/573430152.db2.gz IWKGRUKJQDUHRE-RXMQYKEDSA-N 1 0 185.198 1.299 10 10 ADCERO CC(C)([NH3+])c1cc2c(cc1O)OCO2 258027783 573430331 /nfs/dbraw/zinc/43/03/31/573430331.db2.gz IUPSBGMOBKJURP-UHFFFAOYSA-N 1 0 195.218 1.315 10 10 ADCERO [NH3+][C@H]1CCCc2c(F)ccc(O)c21 211795265 573460105 /nfs/dbraw/zinc/46/01/05/573460105.db2.gz AVDSKSURNPVGTO-QMMMGPOBSA-N 1 0 181.210 1.867 10 10 ADCERO Cc1c(CC[NH3+])cc(O)c(O)c1C 258032835 573460197 /nfs/dbraw/zinc/46/01/97/573460197.db2.gz PGKUTGVEOYJJQT-UHFFFAOYSA-N 1 0 181.235 1.216 10 10 ADCERO C[NH2+][C@@H](C)c1ccc(O)c(O)c1O 211790341 573461344 /nfs/dbraw/zinc/46/13/44/573461344.db2.gz OGCYYSKTOMEMSP-YFKPBYRVSA-N 1 0 183.207 1.084 10 10 ADCERO Cc1cc(N)c(O)c([C@H](C)[NH3+])c1 211799774 573467717 /nfs/dbraw/zinc/46/77/17/573467717.db2.gz UPDLDAYOSLAUIZ-LURJTMIESA-N 1 0 166.224 1.303 10 10 ADCERO [NH3+]C1(c2cc(O)c(O)c(F)c2)CCC1 258036284 573467803 /nfs/dbraw/zinc/46/78/03/573467803.db2.gz JNWNABUAYONWRF-UHFFFAOYSA-N 1 0 197.209 1.575 10 10 ADCERO [NH3+]CCc1c(Cl)ccc(O)c1O 258036023 573467114 /nfs/dbraw/zinc/46/71/14/573467114.db2.gz JITORDQMAYUAGD-UHFFFAOYSA-N 1 0 187.626 1.252 10 10 ADCERO CO[C@@H](c1ccc(O)c(O)c1)[C@@H](C)[NH3+] 238409325 573467533 /nfs/dbraw/zinc/46/75/33/573467533.db2.gz MERTWYJVRRDIDS-LHLIQPBNSA-N 1 0 197.234 1.133 10 10 ADCERO CSc1ccc(C[NH3+])c(O)c1 238414600 573484015 /nfs/dbraw/zinc/48/40/15/573484015.db2.gz ONIPRAIQVGNLKN-UHFFFAOYSA-N 1 0 169.249 1.573 10 10 ADCERO C=Cc1ccc(O)c([C@H]([NH3+])[C@@H](C)O)c1 238415854 573484157 /nfs/dbraw/zinc/48/41/57/573484157.db2.gz CHTZHNYVQJACKT-RDDDGLTNSA-N 1 0 193.246 1.416 10 10 ADCERO COc1ccc2c(c1)C[C@H](C[NH3+])N2C 107295661 573484230 /nfs/dbraw/zinc/48/42/30/573484230.db2.gz YHUKLTJHBOJXSN-SECBINFHSA-N 1 0 192.262 1.015 10 10 ADCERO Cc1ccc(CCC[NH3+])c(O)c1O 258048465 573505565 /nfs/dbraw/zinc/50/55/65/573505565.db2.gz RBNNZPGACQUCQO-UHFFFAOYSA-N 1 0 181.235 1.298 10 10 ADCERO C[C@@H](O)[C@@H]([NH3+])c1ccc([S-])cc1O 238422319 573514329 /nfs/dbraw/zinc/51/43/29/573514329.db2.gz HXMBEABSPSCFFL-MLUIRONXSA-N 1 0 199.275 1.062 10 10 ADCERO Cc1cc(N)cc([C@@H](C)[NH3+])c1O 238424646 573521555 /nfs/dbraw/zinc/52/15/55/573521555.db2.gz MXDHFXCOCIJTAV-ZCFIWIBFSA-N 1 0 166.224 1.303 10 10 ADCERO COC[C@@H]1C[NH2+][C@@H]1c1ccccc1O 257827107 573521811 /nfs/dbraw/zinc/52/18/11/573521811.db2.gz HUMCDXQFDQCQFM-KWQFWETISA-N 1 0 193.246 1.299 10 10 ADCERO Cc1cc(O)c(O)cc1[C@@H](C)[NH3+] 257826750 573521971 /nfs/dbraw/zinc/52/19/71/573521971.db2.gz HKIJBMIEGWSANM-ZCFIWIBFSA-N 1 0 167.208 1.426 10 10 ADCERO C[C@@H]([NH3+])c1cc(O)c(F)cc1O 238424951 573522321 /nfs/dbraw/zinc/52/23/21/573522321.db2.gz WCCBFBXAONWMFR-SCSAIBSYSA-N 1 0 171.171 1.257 10 10 ADCERO C[C@@H]([NH3+])C1=CC(=O)CS1 238425257 573526871 /nfs/dbraw/zinc/52/68/71/573526871.db2.gz PTEDCGOFYFMPLE-SCSAIBSYSA-N 1 0 143.211 1.473 10 10 ADCERO C[C@@H]([NH3+])c1cc(O)c(Cl)cc1O 238424924 573526964 /nfs/dbraw/zinc/52/69/64/573526964.db2.gz NOFUJHOSIHSLLN-SCSAIBSYSA-N 1 0 187.626 1.771 10 10 ADCERO Cc1cc(O)c(O)cc1CCCC[NH3+] 257827876 573527244 /nfs/dbraw/zinc/52/72/44/573527244.db2.gz ICXIDFZWYNUJLH-UHFFFAOYSA-N 1 0 195.262 1.688 10 10 ADCERO C[NH2+]Cc1cc(F)cc(Cl)c1[O-] 107350585 573541924 /nfs/dbraw/zinc/54/19/24/573541924.db2.gz NXJRLWAPVLWZLZ-UHFFFAOYSA-N 1 0 189.617 1.904 10 10 ADCERO COc1c(O)cc(O)c2c1CC[C@H]2[NH3+] 238434832 573544262 /nfs/dbraw/zinc/54/42/62/573544262.db2.gz XPBORBFQTXLPHF-ZCFIWIBFSA-N 1 0 195.218 1.052 10 10 ADCERO CCC1CN(c2ccc(C[NH3+])cc2)C1 86681713 573567431 /nfs/dbraw/zinc/56/74/31/573567431.db2.gz GCUFPHPAQHQPEC-UHFFFAOYSA-N 1 0 190.290 1.992 10 10 ADCERO C[NH2+]CN(C)c1ccc2c(c1)CCO2 258795090 573575132 /nfs/dbraw/zinc/57/51/32/573575132.db2.gz CTVFSHOIDMHWGY-UHFFFAOYSA-N 1 0 192.262 1.235 10 10 ADCERO [NH3+]Cc1cc2c3c(c1)CCN3CCC2 259514065 573575402 /nfs/dbraw/zinc/57/54/02/573575402.db2.gz PDDGCBIVTHVQQX-UHFFFAOYSA-N 1 0 188.274 1.454 10 10 ADCERO Cc1ccc(C)c([C@](C)([NH3+])CO)c1O 238456304 573593422 /nfs/dbraw/zinc/59/34/22/573593422.db2.gz VWTZMHQXPGUZRK-LLVKDONJSA-N 1 0 195.262 1.175 10 10 ADCERO COc1c(O)cc2c(c1O)[C@H]([NH3+])CC2 238449920 573613392 /nfs/dbraw/zinc/61/33/92/573613392.db2.gz IWAPWAJVMMXAMG-ZCFIWIBFSA-N 1 0 195.218 1.052 10 10 ADCERO Cc1cccc(O)c1[C@@H]([NH3+])[C@@H](C)O 238449329 573613415 /nfs/dbraw/zinc/61/34/15/573613415.db2.gz JKHQDFUGAYXYRT-XCBNKYQSSA-N 1 0 181.235 1.081 10 10 ADCERO Cc1cc(F)c(O)c(C[NH3+])c1 211957299 573616140 /nfs/dbraw/zinc/61/61/40/573616140.db2.gz BVZUKQVPVZVPNN-UHFFFAOYSA-N 1 0 155.172 1.298 10 10 ADCERO Cc1cc(C2(C[NH3+])CC2)cc(O)c1O 258070210 573617070 /nfs/dbraw/zinc/61/70/70/573617070.db2.gz MENFUJHGTSSHPS-UHFFFAOYSA-N 1 0 193.246 1.397 10 10 ADCERO N#[N+]CC(=O)c1ccccc1[N+](=O)[O-] 142895863 573622005 /nfs/dbraw/zinc/62/20/05/573622005.db2.gz VOSSLASNONSHOH-UHFFFAOYSA-N 1 0 191.146 1.078 10 10 ADCERO Cc1ccc(O)c2c1OC[C@@H]2[NH3+] 238459130 573631845 /nfs/dbraw/zinc/63/18/45/573631845.db2.gz AMNZVQATCMOPFF-LURJTMIESA-N 1 0 165.192 1.093 10 10 ADCERO CC(C)([NH3+])c1c(O)ccc2c1COC2 258072758 573634519 /nfs/dbraw/zinc/63/45/19/573634519.db2.gz MJPGORWNIPZRAJ-UHFFFAOYSA-N 1 0 193.246 1.616 10 10 ADCERO Cc1cn(C)c2cc(CC[NH3+])ccc12 258073232 573634946 /nfs/dbraw/zinc/63/49/46/573634946.db2.gz MLZYGJJDFLUWTA-UHFFFAOYSA-N 1 0 188.274 1.988 10 10 ADCERO Cc1cc(C=O)c(O)c(C[NH+](C)C)c1 75581246 573635949 /nfs/dbraw/zinc/63/59/49/573635949.db2.gz QXUMUFQEOAHANE-UHFFFAOYSA-N 1 0 193.246 1.575 10 10 ADCERO COc1cc(O)c(C[NH3+])cc1C 211974786 573635962 /nfs/dbraw/zinc/63/59/62/573635962.db2.gz YJQDCVCLAMPLTF-UHFFFAOYSA-N 1 0 167.208 1.168 10 10 ADCERO C[C@]1(c2ccccc2O)[NH2+]CCS1 75598310 573637940 /nfs/dbraw/zinc/63/79/40/573637940.db2.gz UJMADGHHOYHVSC-JTQLQIEISA-N 1 0 195.287 1.901 10 10 ADCERO C[C@H]1C[C@@H](c2cccc(O)c2O)C[NH2+]1 238460592 573637341 /nfs/dbraw/zinc/63/73/41/573637341.db2.gz VOLIBURRFVCJRE-JGVFFNPUSA-N 1 0 193.246 1.563 10 10 ADCERO CCc1cc(F)c(O)c(C[NH3+])c1 211976912 573637519 /nfs/dbraw/zinc/63/75/19/573637519.db2.gz BJWPCKNXJYAGJZ-UHFFFAOYSA-N 1 0 169.199 1.552 10 10 ADCERO C[C@@H]1c2c(O)ccc(O)c2CC[N@H+]1C 238462009 573640094 /nfs/dbraw/zinc/64/00/94/573640094.db2.gz YEIZOXFDQHGAMZ-SSDOTTSWSA-N 1 0 193.246 1.647 10 10 ADCERO CCc1cc(CNC[NH3+])ccc1OC 258827471 573640148 /nfs/dbraw/zinc/64/01/48/573640148.db2.gz GVWBJJBMKSNTDI-UHFFFAOYSA-N 1 0 194.278 1.263 10 10 ADCERO C=Cc1ccc(O)c([C@H]([NH3+])[C@H](C)O)c1 238461719 573640426 /nfs/dbraw/zinc/64/04/26/573640426.db2.gz CHTZHNYVQJACKT-WRWORJQWSA-N 1 0 193.246 1.416 10 10 ADCERO NC[C@H]([NH2+]C1CC1)c1ccccc1O 257839265 573643325 /nfs/dbraw/zinc/64/33/25/573643325.db2.gz LOLMTGQACVKORM-JTQLQIEISA-N 1 0 192.262 1.144 10 10 ADCERO C[NH2+]CN(C)c1ccc(OC)cc1 258834136 573647128 /nfs/dbraw/zinc/64/71/28/573647128.db2.gz HLBIXYJVLLWDJY-UHFFFAOYSA-N 1 0 180.251 1.308 10 10 ADCERO COc1cc(Cl)cc(C[NH3+])c1O 107736385 573647647 /nfs/dbraw/zinc/64/76/47/573647647.db2.gz HCPOSOVRINQJSB-UHFFFAOYSA-N 1 0 187.626 1.513 10 10 ADCERO C[C@@H]1C[C@@H](c2cccc(O)c2O)C[NH2+]1 238471413 573658848 /nfs/dbraw/zinc/65/88/48/573658848.db2.gz VOLIBURRFVCJRE-HTQZYQBOSA-N 1 0 193.246 1.563 10 10 ADCERO Cc1cc(N)c(O)c([C@@H]([NH3+])C2CC2)c1 238471548 573658324 /nfs/dbraw/zinc/65/83/24/573658324.db2.gz HSNAIDGCSCQSIA-JTQLQIEISA-N 1 0 192.262 1.693 10 10 ADCERO Cc1cc(N)c(O)c([C@H]2CC[NH2+]2)c1 238471816 573658458 /nfs/dbraw/zinc/65/84/58/573658458.db2.gz PHSZJGRNKBKHIT-SECBINFHSA-N 1 0 178.235 1.317 10 10 ADCERO COc1ccc(N(C)C[NH3+])cc1OC 258850065 573659457 /nfs/dbraw/zinc/65/94/57/573659457.db2.gz IVNAFQNIHOYQKQ-UHFFFAOYSA-N 1 0 196.250 1.056 10 10 ADCERO N#[N+]CC(=O)C1CCCCCC1 259543117 573659483 /nfs/dbraw/zinc/65/94/83/573659483.db2.gz BWNFUCFQZNOAQQ-UHFFFAOYSA-N 1 0 166.224 1.827 10 10 ADCERO C[NH+](C)Cc1cc2c(cc1O)OCO2 96942622 573663373 /nfs/dbraw/zinc/66/33/73/573663373.db2.gz XMJMZKYQWBRCCX-UHFFFAOYSA-N 1 0 195.218 1.183 10 10 ADCERO CCOc1ccc(N(C)C[NH3+])cc1F 258860942 573663508 /nfs/dbraw/zinc/66/35/08/573663508.db2.gz JYNDLEIBLTXYKB-UHFFFAOYSA-N 1 0 198.241 1.577 10 10 ADCERO C[C@@H](CC[NH3+])c1ccc(O)c(O)c1F 258084452 573665701 /nfs/dbraw/zinc/66/57/01/573665701.db2.gz JFVTYHSIJVJHGW-LURJTMIESA-N 1 0 199.225 1.689 10 10 ADCERO CCOC(=O)c1cccc(C[NH3+])c1O 258080334 573678740 /nfs/dbraw/zinc/67/87/40/573678740.db2.gz VLIIPANKWZKCCB-UHFFFAOYSA-N 1 0 195.218 1.028 10 10 ADCERO C[C@H]1CN(Cc2ccccc2O)CO1 238479060 573687772 /nfs/dbraw/zinc/68/77/72/573687772.db2.gz FCLGASWZFFKXSR-VIFPVBQESA-N 1 0 193.246 1.570 10 10 ADCERO COc1ccc(C[NH2+]CO)cc1C 258881297 573691035 /nfs/dbraw/zinc/69/10/35/573691035.db2.gz IBAABVBJPIOBPK-UHFFFAOYSA-N 1 0 181.235 1.043 10 10 ADCERO CC[NH2+][C@@H]1CCOc2cccc(O)c21 257851168 573693400 /nfs/dbraw/zinc/69/34/00/573693400.db2.gz OXMQYCXTWZTIRN-MRVPVSSYSA-N 1 0 193.246 1.825 10 10 ADCERO C[C@@H]1[NH2+]CCc2c1ccc(O)c2O 75793202 573696213 /nfs/dbraw/zinc/69/62/13/573696213.db2.gz DZYVXGBVZYPALR-LURJTMIESA-N 1 0 179.219 1.305 10 10 ADCERO C[NH+](C)Cc1ccc(O)c(O)c1 108239147 573703955 /nfs/dbraw/zinc/70/39/55/573703955.db2.gz UKBJPGDUWHCWPQ-UHFFFAOYSA-N 1 0 167.208 1.159 10 10 ADCERO Cc1ccc([C@@](C)([NH3+])CO)c(O)c1C 238483823 573703958 /nfs/dbraw/zinc/70/39/58/573703958.db2.gz FBMRMRDMDLXHLF-NSHDSACASA-N 1 0 195.262 1.175 10 10 ADCERO C[C@H]([NH3+])c1ccc(N(C)C)cc1F 75845025 573706285 /nfs/dbraw/zinc/70/62/85/573706285.db2.gz AGUNSZSJXBHPTA-ZETCQYMHSA-N 1 0 182.242 1.911 10 10 ADCERO Cc1cc(C[NH3+])c(O)c(O)c1C 258096107 573710849 /nfs/dbraw/zinc/71/08/49/573710849.db2.gz XIFPWQAWNKISIS-UHFFFAOYSA-N 1 0 167.208 1.173 10 10 ADCERO Cc1ccc(CCCC[NH3+])c(O)c1O 258095998 573713321 /nfs/dbraw/zinc/71/33/21/573713321.db2.gz OGZKTQATLDUDHV-UHFFFAOYSA-N 1 0 195.262 1.688 10 10 ADCERO Cc1cc(O)c2c(c1O)CC[C@@H]2[NH3+] 238492776 573713345 /nfs/dbraw/zinc/71/33/45/573713345.db2.gz DUBWFGYJBLOGJK-ZETCQYMHSA-N 1 0 179.219 1.352 10 10 ADCERO Cc1cc(O)c2c(c1O)CCC[C@@H]2[NH3+] 238492680 573713364 /nfs/dbraw/zinc/71/33/64/573713364.db2.gz PQQUCPWUCXYUCC-QMMMGPOBSA-N 1 0 193.246 1.742 10 10 ADCERO COc1ccc(N(C)C[NH3+])c(C)c1C 258890763 573713373 /nfs/dbraw/zinc/71/33/73/573713373.db2.gz MZKABDYRQGTESR-UHFFFAOYSA-N 1 0 194.278 1.664 10 10 ADCERO [NH3+]CC1(c2cc(O)c(O)c(F)c2)CC1 258096163 573713603 /nfs/dbraw/zinc/71/36/03/573713603.db2.gz OILIGNFSLXXDLE-UHFFFAOYSA-N 1 0 197.209 1.227 10 10 ADCERO Cc1c([C@H](C)[NH3+])cc(O)c(O)c1C 258105992 573721092 /nfs/dbraw/zinc/72/10/92/573721092.db2.gz YKRFWDGTRGHWNE-ZETCQYMHSA-N 1 0 181.235 1.734 10 10 ADCERO C[NH2+]Cc1c(O)ccc(C)c1C 108285628 573727768 /nfs/dbraw/zinc/72/77/68/573727768.db2.gz UEJOUMZNCJURHB-UHFFFAOYSA-N 1 0 165.236 1.728 10 10 ADCERO Cc1cc(O)c(C2([NH3+])CC2)c(O)c1 238487577 573727998 /nfs/dbraw/zinc/72/79/98/573727998.db2.gz VYHKKWLPJCLEJC-UHFFFAOYSA-N 1 0 179.219 1.354 10 10 ADCERO [NH3+]Cc1c(O)ccc2c1CCC2 108285150 573728031 /nfs/dbraw/zinc/72/80/31/573728031.db2.gz PNBAHIAUHYHKOA-UHFFFAOYSA-N 1 0 163.220 1.340 10 10 ADCERO Cc1cc(CC2([NH3+])CC2)cc(O)c1O 258106375 573728328 /nfs/dbraw/zinc/72/83/28/573728328.db2.gz PGAAZKZFXTVSHR-UHFFFAOYSA-N 1 0 193.246 1.440 10 10 ADCERO Cc1cc(O)c([C@@H]([NH3+])C2CC2)cc1O 238488445 573730527 /nfs/dbraw/zinc/73/05/27/573730527.db2.gz PIKRMPULWKRCKS-NSHDSACASA-N 1 0 193.246 1.816 10 10 ADCERO Cc1cc(O)c(C2([NH3+])CCC2)cc1O 258113509 573734995 /nfs/dbraw/zinc/73/49/95/573734995.db2.gz PZHIZHJJDGHBMU-UHFFFAOYSA-N 1 0 193.246 1.744 10 10 ADCERO [NH3+]CCCc1c(F)ccc(O)c1O 258113446 573736672 /nfs/dbraw/zinc/73/66/72/573736672.db2.gz PXMWWMOZCFFVAT-UHFFFAOYSA-N 1 0 185.198 1.128 10 10 ADCERO [NH3+]C[C@H](F)c1ccc(O)c(O)c1 108289335 573736174 /nfs/dbraw/zinc/73/61/74/573736174.db2.gz NEVNPXHLIFMZLX-LURJTMIESA-N 1 0 171.171 1.067 10 10 ADCERO C[C@H]([NH3+])Cc1cc(O)c(O)c(F)c1 258103743 573742659 /nfs/dbraw/zinc/74/26/59/573742659.db2.gz PAOWUZJXVRBSTQ-YFKPBYRVSA-N 1 0 185.198 1.127 10 10 ADCERO CCOc1cccc(O)c1C(C)(C)[NH3+] 258103607 573742768 /nfs/dbraw/zinc/74/27/68/573742768.db2.gz OYHBMTACGLDUEI-UHFFFAOYSA-N 1 0 195.262 1.985 10 10 ADCERO COc1ccc(CNC[NH3+])cc1C 258903834 573745351 /nfs/dbraw/zinc/74/53/51/573745351.db2.gz OMLLBDGSUPIBCH-UHFFFAOYSA-N 1 0 180.251 1.009 10 10 ADCERO Cc1ccc2c(c1O)[C@@H]([NH3+])CCO2 238500838 573745520 /nfs/dbraw/zinc/74/55/20/573745520.db2.gz FWQVCQJNMYKUFX-ZETCQYMHSA-N 1 0 179.219 1.483 10 10 ADCERO C[NH2+][C@@H](C)c1cc(O)c(O)cc1C 257873296 573747124 /nfs/dbraw/zinc/74/71/24/573747124.db2.gz YRHPILBAWHXHLY-ZETCQYMHSA-N 1 0 181.235 1.687 10 10 ADCERO CO[C@@H]1C[NH2+][C@H](c2ccccc2O)C1 257864556 573753682 /nfs/dbraw/zinc/75/36/82/573753682.db2.gz RTLKFKOXBAJRKD-WPRPVWTQSA-N 1 0 193.246 1.442 10 10 ADCERO CO[C@H]1C[NH2+][C@H](c2ccccc2O)C1 257864550 573754002 /nfs/dbraw/zinc/75/40/02/573754002.db2.gz RTLKFKOXBAJRKD-SCZZXKLOSA-N 1 0 193.246 1.442 10 10 ADCERO C[NH2+]C[C@@H](F)c1ccc(O)c(O)c1 257870575 573770478 /nfs/dbraw/zinc/77/04/78/573770478.db2.gz YECHXMVQLHUSSI-SSDOTTSWSA-N 1 0 185.198 1.328 10 10 ADCERO OC[C@H]1C[NH2+][C@@H](c2ccccc2O)C1 108340985 573770717 /nfs/dbraw/zinc/77/07/17/573770717.db2.gz XPRYCOXMIKTTOG-PSASIEDQSA-N 1 0 193.246 1.035 10 10 ADCERO CCN1CCNc2cc(C[NH3+])ccc21 258422682 573770949 /nfs/dbraw/zinc/77/09/49/573770949.db2.gz DYANTBOLCTXDGM-UHFFFAOYSA-N 1 0 191.278 1.397 10 10 ADCERO [NH3+]CCCCc1c(F)ccc(O)c1O 258129412 573776810 /nfs/dbraw/zinc/77/68/10/573776810.db2.gz MZVCTELNJBVKGJ-UHFFFAOYSA-N 1 0 199.225 1.518 10 10 ADCERO Cc1cc([C@H](C)C[NH3+])c(F)c(O)c1O 258129215 573776841 /nfs/dbraw/zinc/77/68/41/573776841.db2.gz MVJUQIKIIRRCRM-ZCFIWIBFSA-N 1 0 199.225 1.608 10 10 ADCERO C[NH2+]Cc1cc(F)cc(OC)c1O 108370324 573778449 /nfs/dbraw/zinc/77/84/49/573778449.db2.gz KRXBUXAWVNMUDL-UHFFFAOYSA-N 1 0 185.198 1.259 10 10 ADCERO CC(C)(C)[NH2+]Cc1cc(N)ccc1O 238107962 573778542 /nfs/dbraw/zinc/77/85/42/573778542.db2.gz OOVYVKQCMUJJBN-UHFFFAOYSA-N 1 0 194.278 1.863 10 10 ADCERO Cc1cc(O)c(O)cc1C1([NH3+])CC1 257875460 573778702 /nfs/dbraw/zinc/77/87/02/573778702.db2.gz ZFFQAXNYCCISRC-UHFFFAOYSA-N 1 0 179.219 1.354 10 10 ADCERO Cc1c(F)cc2c(c1O)[C@H]([NH3+])CC2 238503191 573786304 /nfs/dbraw/zinc/78/63/04/573786304.db2.gz VMRRODKVIPDUHK-MRVPVSSYSA-N 1 0 181.210 1.786 10 10 ADCERO COc1ccc(N(C)C)c([C@H](C)[NH3+])c1 258128650 573799999 /nfs/dbraw/zinc/79/99/99/573799999.db2.gz RGGVTOBGDPERCA-QMMMGPOBSA-N 1 0 194.278 1.781 10 10 ADCERO CN(C)c1ccc(/C=C/C[NH3+])cc1F 258133746 573805964 /nfs/dbraw/zinc/80/59/64/573805964.db2.gz RTIBBXVYIANMJY-ONEGZZNKSA-N 1 0 194.253 1.864 10 10 ADCERO C[C@H]([NH3+])Cc1nc2c([nH]1)CSCC2 107238278 573818921 /nfs/dbraw/zinc/81/89/21/573818921.db2.gz ZOHOSNMNUMVFQX-LURJTMIESA-N 1 0 197.307 1.089 10 10 ADCERO CC[NH2+]Cc1cc(O)c(C)cc1O 143486827 573827244 /nfs/dbraw/zinc/82/72/44/573827244.db2.gz RLGDXABOIZTZEC-UHFFFAOYSA-N 1 0 181.235 1.516 10 10 ADCERO CC(C)([NH3+])c1c(F)ccc(N)c1O 238146967 573829442 /nfs/dbraw/zinc/82/94/42/573829442.db2.gz ABDNGDRNVRYSPP-UHFFFAOYSA-N 1 0 184.214 1.307 10 10 ADCERO CC(C)([NH3+])c1cc(CO)ccc1O 238148281 573829764 /nfs/dbraw/zinc/82/97/64/573829764.db2.gz PWAFBTJKLXUFCP-UHFFFAOYSA-N 1 0 181.235 1.078 10 10 ADCERO CC(C)c1ccc(O)c2c1OC[C@H]2[NH3+] 238159149 573840329 /nfs/dbraw/zinc/84/03/29/573840329.db2.gz LUJDKMHIISVUPB-MRVPVSSYSA-N 1 0 193.246 1.908 10 10 ADCERO Cc1cccc(O)c1[C@@H]1COCC[NH2+]1 238536554 573844658 /nfs/dbraw/zinc/84/46/58/573844658.db2.gz QHLLFOQFPSRZTA-VIFPVBQESA-N 1 0 193.246 1.362 10 10 ADCERO C[NH2+]Cc1ccc2c(c1)C[C@@H](C)N2C 258159973 573846118 /nfs/dbraw/zinc/84/61/18/573846118.db2.gz RMUFOCPOLWWIPS-SECBINFHSA-N 1 0 190.290 1.787 10 10 ADCERO C[NH2+]Cc1ccc2c(c1)C[C@H](C)N2C 258159975 573848943 /nfs/dbraw/zinc/84/89/43/573848943.db2.gz RMUFOCPOLWWIPS-VIFPVBQESA-N 1 0 190.290 1.787 10 10 ADCERO CC(C)([NH3+])c1cc(N)c(F)cc1O 238150872 573850646 /nfs/dbraw/zinc/85/06/46/573850646.db2.gz PFQKUHXQMLZFEX-UHFFFAOYSA-N 1 0 184.214 1.307 10 10 ADCERO Nc1ccc(C[C@]2(F)CC[NH2+]C2)cc1 257888638 573855123 /nfs/dbraw/zinc/85/51/23/573855123.db2.gz WRQNKNCGKMFTIQ-LLVKDONJSA-N 1 0 194.253 1.513 10 10 ADCERO Cc1cccc([C@@H]([NH3+])C(F)F)c1O 238541853 573856640 /nfs/dbraw/zinc/85/66/40/573856640.db2.gz HGGXPRPQXPOHLU-SSDOTTSWSA-N 1 0 187.189 1.966 10 10 ADCERO CCCN1CCc2cc(C[NH3+])ccc21 258157393 573856942 /nfs/dbraw/zinc/85/69/42/573856942.db2.gz NMEOFICZGJBCFT-UHFFFAOYSA-N 1 0 190.290 1.918 10 10 ADCERO CC(C)[C@@H]([NH3+])c1c(O)cccc1O 238167531 573857687 /nfs/dbraw/zinc/85/76/87/573857687.db2.gz ISGXPPYNXSHHAU-SNVBAGLBSA-N 1 0 181.235 1.754 10 10 ADCERO CC(C)[C@H]([NH3+])c1c(O)cccc1O 238168794 573858364 /nfs/dbraw/zinc/85/83/64/573858364.db2.gz ISGXPPYNXSHHAU-JTQLQIEISA-N 1 0 181.235 1.754 10 10 ADCERO CC(C)[C@H]([NH3+])c1c(O)ccc(O)c1O 238168721 573861276 /nfs/dbraw/zinc/86/12/76/573861276.db2.gz GNJDHFZLEFDIOG-VIFPVBQESA-N 1 0 197.234 1.459 10 10 ADCERO CC[C@@]1(c2ccccc2O)CC[NH2+]1 258165482 573861358 /nfs/dbraw/zinc/86/13/58/573861358.db2.gz MADNWVNDXQIWCV-NSHDSACASA-N 1 0 177.247 1.991 10 10 ADCERO CCOc1ccc(N(C)C[NH3+])cc1C 258978605 573872140 /nfs/dbraw/zinc/87/21/40/573872140.db2.gz XTTGYHXNLQMGGO-UHFFFAOYSA-N 1 0 194.278 1.746 10 10 ADCERO Cc1cc([C@H]2CC[NH2+]C2)cc(O)c1O 258171064 573877840 /nfs/dbraw/zinc/87/78/40/573877840.db2.gz VUQQSYSFYFMCLR-QMMMGPOBSA-N 1 0 193.246 1.483 10 10 ADCERO [NH3+]C[C@H]1Cc2cc3c(cc21)OCO3 144997827 573889825 /nfs/dbraw/zinc/88/98/25/573889825.db2.gz GXBXXAKNNDLMSW-SSDOTTSWSA-N 1 0 177.203 1.014 10 10 ADCERO CC(C)[C@H]([NH3+])c1cccc(N)c1O 238181226 573893615 /nfs/dbraw/zinc/89/36/15/573893615.db2.gz NWKZMYXHGPNESD-VIFPVBQESA-N 1 0 180.251 1.630 10 10 ADCERO Cc1ccc(C(=O)C[N+]#N)cc1C 84443981 573895543 /nfs/dbraw/zinc/89/55/43/573895543.db2.gz WHWYTNDAQFDFBI-UHFFFAOYSA-N 1 0 174.203 1.787 10 10 ADCERO CC(C)[C@H]([NH3+])c1cc(O)c(O)cc1O 238174019 573895815 /nfs/dbraw/zinc/89/58/15/573895815.db2.gz KMCUERTWWRQYKE-JTQLQIEISA-N 1 0 197.234 1.459 10 10 ADCERO CC[NH2+][C@H](CN)c1ccccc1O 257903792 573904195 /nfs/dbraw/zinc/90/41/95/573904195.db2.gz PHVDUAWWPJOGML-SECBINFHSA-N 1 0 180.251 1.002 10 10 ADCERO CC[NH2+][C@@H](CN)c1ccccc1O 257903793 573904251 /nfs/dbraw/zinc/90/42/51/573904251.db2.gz PHVDUAWWPJOGML-VIFPVBQESA-N 1 0 180.251 1.002 10 10 ADCERO Cc1cc(C)c([C@@H]([NH3+])CO)c(O)c1C 259581753 573916597 /nfs/dbraw/zinc/91/65/97/573916597.db2.gz YHAIKYMDVBTAAF-VIFPVBQESA-N 1 0 195.262 1.310 10 10 ADCERO CC(C)[NH2+]Cc1ccc(N)cc1O 238187142 573923531 /nfs/dbraw/zinc/92/35/31/573923531.db2.gz FZRDPSSKEOHZQJ-UHFFFAOYSA-N 1 0 180.251 1.472 10 10 ADCERO Cc1c(C2([NH3+])CC2)cc(O)c(O)c1C 258181667 573923592 /nfs/dbraw/zinc/92/35/92/573923592.db2.gz WOHHUZRBSBLUJO-UHFFFAOYSA-N 1 0 193.246 1.662 10 10 ADCERO C[NH2+]CCCSc1nccs1 42409054 573940309 /nfs/dbraw/zinc/94/03/09/573940309.db2.gz MTQPKTDPQUZUQV-UHFFFAOYSA-N 1 0 188.321 1.845 10 10 ADCERO CC(C)c1ccc2c(c1O)[C@@H]([NH3+])CO2 238214846 573942104 /nfs/dbraw/zinc/94/21/04/573942104.db2.gz AJOAOMSNWMMHOT-QMMMGPOBSA-N 1 0 193.246 1.908 10 10 ADCERO CSc1ccc([C@@H]([NH3+])CO)c(O)c1 258185602 573942330 /nfs/dbraw/zinc/94/23/30/573942330.db2.gz RFDYGLVRCFKZPX-QMMMGPOBSA-N 1 0 199.275 1.106 10 10 ADCERO CSc1ccc([C@H]([NH3+])CO)c(O)c1 258185600 573942424 /nfs/dbraw/zinc/94/24/24/573942424.db2.gz RFDYGLVRCFKZPX-MRVPVSSYSA-N 1 0 199.275 1.106 10 10 ADCERO CC1(C)Oc2ccc(C[NH3+])c(O)c2O1 238203600 573945703 /nfs/dbraw/zinc/94/57/03/573945703.db2.gz YDJBUTNTVDTZAG-UHFFFAOYSA-N 1 0 195.218 1.358 10 10 ADCERO Cc1c(O)ccc(C(C)(C)[NH3+])c1O 257915380 573946883 /nfs/dbraw/zinc/94/68/83/573946883.db2.gz BJAPOHDVZZZBJR-UHFFFAOYSA-N 1 0 181.235 1.600 10 10 ADCERO Cc1cc([C@H](C)C[NH3+])cc(O)c1O 257915419 573947130 /nfs/dbraw/zinc/94/71/30/573947130.db2.gz BJBIVQAFQQQOSI-SSDOTTSWSA-N 1 0 181.235 1.468 10 10 ADCERO [NH3+]C1(c2ccccc2O)CC(F)C1 257914010 573946824 /nfs/dbraw/zinc/94/68/24/573946824.db2.gz QRDVAGINAUQNMN-UHFFFAOYSA-N 1 0 181.210 1.678 10 10 ADCERO CC(=O)c1cc(Cl)cc(C[NH3+])c1O 87567897 573951036 /nfs/dbraw/zinc/95/10/36/573951036.db2.gz FMYONNPUVLTLSQ-UHFFFAOYSA-N 1 0 199.637 1.707 10 10 ADCERO COCc1cccc([C@H](C)[NH3+])c1O 257911920 573957283 /nfs/dbraw/zinc/95/72/83/573957283.db2.gz AWZKOZRQUCVZKX-ZETCQYMHSA-N 1 0 181.235 1.558 10 10 ADCERO C[NH2+]CCc1cc(C)c(O)c(O)c1F 258190938 573962621 /nfs/dbraw/zinc/96/26/21/573962621.db2.gz RRMJPYGICNODGM-UHFFFAOYSA-N 1 0 199.225 1.307 10 10 ADCERO Oc1ccc([C@@H]2CCC[NH2+]2)c(F)c1O 258189601 573962761 /nfs/dbraw/zinc/96/27/61/573962761.db2.gz XGYBYKJJZADYIZ-ZETCQYMHSA-N 1 0 197.209 1.661 10 10 ADCERO C[C@H]([NH3+])CCSc1nccs1 81889718 573972549 /nfs/dbraw/zinc/97/25/49/573972549.db2.gz MYMMPCFOMQKHNE-LURJTMIESA-N 1 0 188.321 1.973 10 10 ADCERO Oc1cc(O)c(-c2ncc[nH]2)cc1O 104397032 573972622 /nfs/dbraw/zinc/97/26/22/573972622.db2.gz RWSLDOWNQXSNKD-UHFFFAOYSA-N 1 0 192.174 1.194 10 10 ADCERO C[C@H](Sc1nccs1)[C@@H](C)[NH3+] 81889613 573972626 /nfs/dbraw/zinc/97/26/26/573972626.db2.gz VHGYBBZYBZBRFH-RITPCOANSA-N 1 0 188.321 1.971 10 10 ADCERO C[NH2+][C@@H](C)CSc1nccs1 81889384 573972767 /nfs/dbraw/zinc/97/27/67/573972767.db2.gz NFFWWSPFHCMDJG-LURJTMIESA-N 1 0 188.321 1.843 10 10 ADCERO C[C@H]([NH3+])CSc1nccs1 81889432 573975430 /nfs/dbraw/zinc/97/54/30/573975430.db2.gz GGDXYVBRXCUABV-YFKPBYRVSA-N 1 0 174.294 1.582 10 10 ADCERO CCC[C@H]([NH3+])c1cc(O)c(O)cc1O 104405573 573975939 /nfs/dbraw/zinc/97/59/39/573975939.db2.gz WITGSFUYIODPIK-ZETCQYMHSA-N 1 0 197.234 1.603 10 10 ADCERO CC(C)([NH3+])c1cc2c(cc1O)COC2 258194272 573977850 /nfs/dbraw/zinc/97/78/50/573977850.db2.gz XRCWADCMPMHIRV-UHFFFAOYSA-N 1 0 193.246 1.616 10 10 ADCERO CC[C@@H]([NH3+])c1cccc(CO)c1O 104454441 573983962 /nfs/dbraw/zinc/98/39/62/573983962.db2.gz YIQZAKMZGYPSMQ-SECBINFHSA-N 1 0 181.235 1.294 10 10 ADCERO CCc1ccc(O)c([C@@](C)([NH3+])CO)c1 104455355 573986453 /nfs/dbraw/zinc/98/64/53/573986453.db2.gz NHZUMPACLHMLAO-NSHDSACASA-N 1 0 195.262 1.121 10 10 ADCERO COc1cc([C@@H]2CC[NH2+]2)cc(O)c1O 104459614 573987395 /nfs/dbraw/zinc/98/73/95/573987395.db2.gz YUYUSNILKXSVQN-ZETCQYMHSA-N 1 0 195.218 1.141 10 10 ADCERO COc1cc(C)cc([C@@H]2CC[NH2+]2)c1O 104460998 573989237 /nfs/dbraw/zinc/98/92/37/573989237.db2.gz RBGNXCIERGRVFG-VIFPVBQESA-N 1 0 193.246 1.744 10 10 ADCERO CCC[C@@H]([NH3+])c1cccc(N)c1O 238238769 574002961 /nfs/dbraw/zinc/00/29/61/574002961.db2.gz HJHTWYXLZDKXEN-MRVPVSSYSA-N 1 0 180.251 1.774 10 10 ADCERO CCC[C@@H]([NH3+])c1cc(O)c(O)c(O)c1 104485677 574003757 /nfs/dbraw/zinc/00/37/57/574003757.db2.gz SHGZLTCYRHQBIT-SSDOTTSWSA-N 1 0 197.234 1.603 10 10 ADCERO CCC[C@H]([NH3+])c1cc(O)c(O)c(O)c1 104487316 574003806 /nfs/dbraw/zinc/00/38/06/574003806.db2.gz SHGZLTCYRHQBIT-ZETCQYMHSA-N 1 0 197.234 1.603 10 10 ADCERO Cc1c(F)ccc(O)c1[C@H]([NH3+])[C@H](C)O 104486191 574003842 /nfs/dbraw/zinc/00/38/42/574003842.db2.gz RJTCZQOISTVGEG-QUBYGPBYSA-N 1 0 199.225 1.220 10 10 ADCERO COC[C@@H]([NH3+])c1c(O)cc(C)cc1O 104485683 574003885 /nfs/dbraw/zinc/00/38/85/574003885.db2.gz GJPQCGTWRTYKGM-SSDOTTSWSA-N 1 0 197.234 1.052 10 10 ADCERO COC[C@H]([NH3+])c1c(O)ccc(F)c1C 104487754 574004145 /nfs/dbraw/zinc/00/41/45/574004145.db2.gz XWTNJYPPCGAUIS-QMMMGPOBSA-N 1 0 199.225 1.486 10 10 ADCERO [NH3+]Cc1cc(N2CCCC2)ccc1O 258201047 574004925 /nfs/dbraw/zinc/00/49/25/574004925.db2.gz YIPJOXCCAWJZGA-UHFFFAOYSA-N 1 0 192.262 1.451 10 10 ADCERO Cc1c(F)ccc(O)c1[C@H]([NH3+])[C@@H](C)O 104486182 574005374 /nfs/dbraw/zinc/00/53/74/574005374.db2.gz RJTCZQOISTVGEG-LHLIQPBNSA-N 1 0 199.225 1.220 10 10 ADCERO Cc1c(F)ccc(O)c1[C@H]([NH3+])CCO 104493902 574009254 /nfs/dbraw/zinc/00/92/54/574009254.db2.gz KBKPCSQZXQBOPY-MRVPVSSYSA-N 1 0 199.225 1.222 10 10 ADCERO Cc1c(F)ccc(O)c1[C@@H]([NH3+])CCO 104493904 574010761 /nfs/dbraw/zinc/01/07/61/574010761.db2.gz KBKPCSQZXQBOPY-QMMMGPOBSA-N 1 0 199.225 1.222 10 10 ADCERO COC[C@H]([NH3+])c1c(O)cc(C)cc1O 104490475 574011054 /nfs/dbraw/zinc/01/10/54/574011054.db2.gz GJPQCGTWRTYKGM-ZETCQYMHSA-N 1 0 197.234 1.052 10 10 ADCERO CC(=O)[C@H]([NH3+])c1ccc(Cl)cc1O 104492602 574011121 /nfs/dbraw/zinc/01/11/21/574011121.db2.gz ZPNGXNFHRGXTGH-VIFPVBQESA-N 1 0 199.637 1.634 10 10 ADCERO CC(=O)[C@H]([NH3+])c1cc(Cl)ccc1O 104492617 574011171 /nfs/dbraw/zinc/01/11/71/574011171.db2.gz XBRXZRJVURPXED-VIFPVBQESA-N 1 0 199.637 1.634 10 10 ADCERO CC(=O)[C@@H]([NH3+])c1ccc(Cl)cc1O 104492609 574011296 /nfs/dbraw/zinc/01/12/96/574011296.db2.gz ZPNGXNFHRGXTGH-SECBINFHSA-N 1 0 199.637 1.634 10 10 ADCERO CCC[C@H]([NH3+])c1ccc(N)cc1O 238247721 574015058 /nfs/dbraw/zinc/01/50/58/574015058.db2.gz HGVIWWZDEIYUSP-VIFPVBQESA-N 1 0 180.251 1.774 10 10 ADCERO C[C@@H]([NH3+])c1cc([S-])ccc1O 104505961 574019930 /nfs/dbraw/zinc/01/99/30/574019930.db2.gz NHWUUYVRGUVMRN-RXMQYKEDSA-N 1 0 169.249 1.701 10 10 ADCERO CCC[C@@H]([NH3+])c1cc(F)cc(N)c1O 104510900 574021444 /nfs/dbraw/zinc/02/14/44/574021444.db2.gz DXMPIYVDQWPJDB-MRVPVSSYSA-N 1 0 198.241 1.913 10 10 ADCERO CC[C@@H]([NH3+])c1cc(N)c(F)cc1O 104512410 574021660 /nfs/dbraw/zinc/02/16/60/574021660.db2.gz RVBYBUZBDHKBOA-SSDOTTSWSA-N 1 0 184.214 1.523 10 10 ADCERO CC(C)[C@@H]([NH3+])c1cc(C[NH3+])ccc1O 104515881 574021777 /nfs/dbraw/zinc/02/17/77/574021777.db2.gz LLGPNKGOVUEIIQ-LLVKDONJSA-N 1 0 194.278 1.507 10 10 ADCERO Nc1ccc(F)c([C@H]([NH3+])C2CC2)c1O 104513639 574022066 /nfs/dbraw/zinc/02/20/66/574022066.db2.gz XARBJYLPQOKJJQ-SECBINFHSA-N 1 0 196.225 1.523 10 10 ADCERO C[C@@H]([NH3+])c1cc2ccc[nH]c-2cc1=O 104515044 574022100 /nfs/dbraw/zinc/02/21/00/574022100.db2.gz JPBPEKOKJGIJBO-SSDOTTSWSA-N 1 0 188.230 1.960 10 10 ADCERO CC[C@@H]([NH3+])c1cc(N)cc(F)c1O 104512415 574022403 /nfs/dbraw/zinc/02/24/03/574022403.db2.gz OPBMCQHCXNEZEU-MRVPVSSYSA-N 1 0 184.214 1.523 10 10 ADCERO CC[C@@H]([NH3+])c1cc(C[NH3+])ccc1O 104515057 574022679 /nfs/dbraw/zinc/02/26/79/574022679.db2.gz GPZRKTXOGIKINS-SECBINFHSA-N 1 0 180.251 1.261 10 10 ADCERO C[NH2+][C@H](C)c1cc(OC)cc(C)c1O 104517985 574025164 /nfs/dbraw/zinc/02/51/64/574025164.db2.gz ZQMJRJYTYIZGSJ-MRVPVSSYSA-N 1 0 195.262 1.990 10 10 ADCERO C[NH2+][C@H](C)c1cc(C)cc(OC)c1O 104518646 574025459 /nfs/dbraw/zinc/02/54/59/574025459.db2.gz QQEVJIPBRKWMLX-MRVPVSSYSA-N 1 0 195.262 1.990 10 10 ADCERO C[NH2+][C@H](C)c1cc(C)cc(C=O)c1[O-] 104523696 574025593 /nfs/dbraw/zinc/02/55/93/574025593.db2.gz LSRPPJPKUFBPMK-MRVPVSSYSA-N 1 0 193.246 1.794 10 10 ADCERO C[C@@H]1[NH2+]C[C@H]1Oc1ccc(N)cc1 1218383066 763952929 /nfs/dbraw/zinc/95/29/29/763952929.db2.gz MHHOHHGJPZQDTN-OIBJUYFYSA-N 1 0 178.235 1.008 10 10 ADCERO C[C@@H]1[NH2+]C[C@@H]1Oc1ccc(N)cc1 1218383072 763953706 /nfs/dbraw/zinc/95/37/06/763953706.db2.gz MHHOHHGJPZQDTN-XVKPBYJWSA-N 1 0 178.235 1.008 10 10 ADCERO C[C@H]1[NH2+]C[C@H]1Oc1ccc(N)cc1 1218383062 763954506 /nfs/dbraw/zinc/95/45/06/763954506.db2.gz MHHOHHGJPZQDTN-GMSGAONNSA-N 1 0 178.235 1.008 10 10 ADCERO C[C@H]1[NH2+]C[C@@H]1Oc1ccc(N)cc1 1218383070 763956348 /nfs/dbraw/zinc/95/63/48/763956348.db2.gz MHHOHHGJPZQDTN-XCBNKYQSSA-N 1 0 178.235 1.008 10 10 ADCERO CN(C)c1ccc(C[NH+](C)C)cc1 32170555 1169066798 /nfs/dbraw/zinc/06/67/98/1169066798.db2.gz UDGNCGOMVIKQOW-UHFFFAOYSA-N 1 0 178.279 1.814 10 10 ADCERO CC[C@@H]1CC[NH2+][C@@H](CC(=O)C(C)=O)C1 167563139 673968017 /nfs/dbraw/zinc/96/80/17/673968017.db2.gz MFJIZVFWDKVMOL-NXEZZACHSA-N 1 0 197.278 1.313 10 10 ADCERO CC[C@H]1CC[NH2+][C@@H](CC(=O)C(C)=O)C1 167563251 673968254 /nfs/dbraw/zinc/96/82/54/673968254.db2.gz MFJIZVFWDKVMOL-VHSXEESVSA-N 1 0 197.278 1.313 10 10 ADCERO CC[C@@H]1CC[NH2+][C@H](CC(=O)C(C)=O)C1 167562906 673968293 /nfs/dbraw/zinc/96/82/93/673968293.db2.gz MFJIZVFWDKVMOL-ZJUUUORDSA-N 1 0 197.278 1.313 10 10 ADCERO CC[C@H]1CC[NH2+][C@H](CC(=O)C(C)=O)C1 167563018 673968361 /nfs/dbraw/zinc/96/83/61/673968361.db2.gz MFJIZVFWDKVMOL-UWVGGRQHSA-N 1 0 197.278 1.313 10 10 ADCERO Nc1ccc(O[C@@H]2CCC[NH2+]C2)cc1 139935356 1169200992 /nfs/dbraw/zinc/20/09/92/1169200992.db2.gz RYJHMASIFLSIQW-LLVKDONJSA-N 1 0 192.262 1.400 10 10 ADCERO C[NH+](C)Cc1cc(O)ccc1O 144628142 1169222593 /nfs/dbraw/zinc/22/25/93/1169222593.db2.gz ZYXLGIIYEXDMGI-UHFFFAOYSA-N 1 0 167.208 1.159 10 10 ADCERO CCOc1cccc(C[NH+](C)C)c1O 168384842 1169291991 /nfs/dbraw/zinc/29/19/91/1169291991.db2.gz JXNXMANPWKCOQX-UHFFFAOYSA-N 1 0 195.262 1.853 10 10 ADCERO CC[N@@H+]1CCc2cccc(O)c2C1 221272089 1169351214 /nfs/dbraw/zinc/35/12/14/1169351214.db2.gz KATOLBDJICROGM-UHFFFAOYSA-N 1 0 177.247 1.770 10 10 ADCERO Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 259680307 1169438682 /nfs/dbraw/zinc/43/86/82/1169438682.db2.gz JBPJSTLDIIDFPG-JTQLQIEISA-N 1 0 191.278 1.196 10 10 ADCERO Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 259680320 1169439050 /nfs/dbraw/zinc/43/90/50/1169439050.db2.gz JBPJSTLDIIDFPG-SNVBAGLBSA-N 1 0 191.278 1.196 10 10 ADCERO CC[N@H+](C)Cc1ccc(O)c(O)c1 307698423 1169537088 /nfs/dbraw/zinc/53/70/88/1169537088.db2.gz HXVRZMKFSHNVJV-UHFFFAOYSA-N 1 0 181.235 1.550 10 10 ADCERO N#[N+]N=C1CCON1 196309332 566274797 /nfs/dbraw/zinc/27/47/97/566274797.db2.gz NNTSSTMCVWAVAU-UHFFFAOYSA-N 1 0 112.092 1.031 10 10 ADCERO C[C@H]([NH2+]C1CC1)c1cc(O)ccc1O 21961241 571675830 /nfs/dbraw/zinc/67/58/30/571675830.db2.gz DEFYFDXLSWJMDD-ZETCQYMHSA-N 1 0 193.246 1.911 10 10 ADCERO Cc1cc(CO)c(O)c(C[NH+](C)C)c1 213870346 571680560 /nfs/dbraw/zinc/68/05/60/571680560.db2.gz NIOZZKSHJPJJKL-UHFFFAOYSA-N 1 0 195.262 1.255 10 10 ADCERO C[C@H]1c2cc(O)c(O)cc2CC[N@H+]1C 1715917 571681673 /nfs/dbraw/zinc/68/16/73/571681673.db2.gz RKMGOUZXGHZLBJ-ZETCQYMHSA-N 1 0 193.246 1.647 10 10 endogenous,in-man ADCERO Cc1cc(N)c(O)c(O)c1C[NH+](C)C 213950414 571692814 /nfs/dbraw/zinc/69/28/14/571692814.db2.gz WSTZTMWSTOYJDJ-UHFFFAOYSA-N 1 0 196.250 1.050 10 10 ADCERO Cc1c(O)c(N)cc(O)c1C[NH+](C)C 213950492 571692915 /nfs/dbraw/zinc/69/29/15/571692915.db2.gz PFVHBDJIUJIEQY-UHFFFAOYSA-N 1 0 196.250 1.050 10 10 ADCERO COc1ccc(O)c([C@H](C)[NH3+])c1OC 214019479 571704197 /nfs/dbraw/zinc/70/41/97/571704197.db2.gz NONQCHSFUZLKHL-LURJTMIESA-N 1 0 197.234 1.429 10 10 ADCERO [NH3+]CCc1cc(O)c(O)cc1Cl 214029867 571703691 /nfs/dbraw/zinc/70/36/91/571703691.db2.gz ABBHEHBQUGICJX-UHFFFAOYSA-N 1 0 187.626 1.252 10 10 ADCERO Cc1cc(O)c(C[NH3+])c(Cl)c1 214015950 571703821 /nfs/dbraw/zinc/70/38/21/571703821.db2.gz IJJUBLWLMHNJSM-UHFFFAOYSA-N 1 0 171.627 1.813 10 10 ADCERO COc1ccc(O)c([C@@H](C)[NH3+])c1OC 214019528 571704684 /nfs/dbraw/zinc/70/46/84/571704684.db2.gz NONQCHSFUZLKHL-ZCFIWIBFSA-N 1 0 197.234 1.429 10 10 ADCERO C[NH2+]Cc1c(O)ccc(OC)c1OC 214019620 571704718 /nfs/dbraw/zinc/70/47/18/571704718.db2.gz DTSLOURSVNATCH-UHFFFAOYSA-N 1 0 197.234 1.129 10 10 ADCERO [NH3+]CCC1=CC=CCC1=S 116636211 571714126 /nfs/dbraw/zinc/71/41/26/571714126.db2.gz OTJPCEKXUAGPRZ-UHFFFAOYSA-N 1 0 153.250 1.591 10 10 ADCERO Cc1ccc(C(=O)C=[N+]=N)c(C)c1 725386918 571718602 /nfs/dbraw/zinc/71/86/02/571718602.db2.gz YYFNBZKXMINILK-UHFFFAOYSA-N 1 0 175.211 1.796 10 10 ADCERO [NH3+][C@H](CCO)c1cc(CF)ccc1O 214164655 571725264 /nfs/dbraw/zinc/72/52/64/571725264.db2.gz WXCCFDPXDGWANS-SECBINFHSA-N 1 0 199.225 1.244 10 10 ADCERO [NH3+][C@@H](CCO)c1cc(CF)ccc1O 214164712 571725686 /nfs/dbraw/zinc/72/56/86/571725686.db2.gz WXCCFDPXDGWANS-VIFPVBQESA-N 1 0 199.225 1.244 10 10 ADCERO Cc1ccc(O)c(C2([NH3+])CC2)c1C 214161489 571725628 /nfs/dbraw/zinc/72/56/28/571725628.db2.gz QSGUGGLAOPZBHO-UHFFFAOYSA-N 1 0 177.247 1.957 10 10 ADCERO Cc1cc(C2([NH3+])CC2)c(O)cc1O 214209605 571732206 /nfs/dbraw/zinc/73/22/06/571732206.db2.gz YCLDXATWJXDOFO-UHFFFAOYSA-N 1 0 179.219 1.354 10 10 ADCERO Cc1ccc(C2([NH3+])CC2)c(O)c1O 214208584 571733652 /nfs/dbraw/zinc/73/36/52/571733652.db2.gz BCJJKTSQZFDGOY-UHFFFAOYSA-N 1 0 179.219 1.354 10 10 ADCERO CCc1cc(C[NH3+])c(O)cc1OC 214270018 571740831 /nfs/dbraw/zinc/74/08/31/571740831.db2.gz WSIMVODWDOUXHO-UHFFFAOYSA-N 1 0 181.235 1.422 10 10 ADCERO CCc1cc(C[NH2+]C)c(O)cc1O 214267107 571741068 /nfs/dbraw/zinc/74/10/68/571741068.db2.gz DZBTXJVBSUCFCX-UHFFFAOYSA-N 1 0 181.235 1.380 10 10 ADCERO CCc1cc([C@H](C)[NH3+])c(O)cc1O 214269613 571741230 /nfs/dbraw/zinc/74/12/30/571741230.db2.gz OQGYEJLXOVQUFF-LURJTMIESA-N 1 0 181.235 1.680 10 10 ADCERO CCc1cc([C@@H](C)[NH3+])c(O)cc1O 214269556 571741594 /nfs/dbraw/zinc/74/15/94/571741594.db2.gz OQGYEJLXOVQUFF-ZCFIWIBFSA-N 1 0 181.235 1.680 10 10 ADCERO Cc1cc(C(C)(C)[NH3+])c(O)cc1O 214269171 571741694 /nfs/dbraw/zinc/74/16/94/571741694.db2.gz IPEYRGYNZWVIBH-UHFFFAOYSA-N 1 0 181.235 1.600 10 10 ADCERO CCOc1ccc([C@@H](C)[NH3+])c(O)c1 24863165 571742890 /nfs/dbraw/zinc/74/28/90/571742890.db2.gz SNYAMCFIHYDFNU-SSDOTTSWSA-N 1 0 181.235 1.811 10 10 ADCERO CCOc1ccc([C@H](C)[NH3+])c(O)c1 24863169 571743970 /nfs/dbraw/zinc/74/39/70/571743970.db2.gz SNYAMCFIHYDFNU-ZETCQYMHSA-N 1 0 181.235 1.811 10 10 ADCERO C[C@H](C[NH+](C)C)Oc1ccc(N)cc1 141397788 571753297 /nfs/dbraw/zinc/75/32/97/571753297.db2.gz TYSQKAQUDQOCKT-SECBINFHSA-N 1 0 194.278 1.598 10 10 ADCERO CSc1ncc(C2([NH3+])CC2)s1 214463249 571757705 /nfs/dbraw/zinc/75/77/05/571757705.db2.gz FYKOQCQLJQHRHX-UHFFFAOYSA-N 1 0 186.305 1.813 10 10 ADCERO CC(C)[N@H+](C)Cc1cc(N)ccc1O 37272260 571764832 /nfs/dbraw/zinc/76/48/32/571764832.db2.gz MGZDCCLYTBMELC-UHFFFAOYSA-N 1 0 194.278 1.815 10 10 ADCERO C[C@H](Cc1ccc(N)cc1)[NH+](C)C 26725938 571773171 /nfs/dbraw/zinc/77/31/71/571773171.db2.gz CZPNGAFMPHTMTI-SECBINFHSA-N 1 0 178.279 1.761 10 10 ADCERO C[N@H+](CCCO)Cc1ccc(N)cc1 38973956 571774061 /nfs/dbraw/zinc/77/40/61/571774061.db2.gz IZXDTVNLBIBTLJ-UHFFFAOYSA-N 1 0 194.278 1.083 10 10 ADCERO Oc1ccc(C[NH+]2CCCC2)cc1O 142697462 571777299 /nfs/dbraw/zinc/77/72/99/571777299.db2.gz XSDVCHANJFTPSY-UHFFFAOYSA-N 1 0 193.246 1.694 10 10 ADCERO C[N+](C)(C)Cc1ccccc1O 1998844 571787524 /nfs/dbraw/zinc/78/75/24/571787524.db2.gz DSSBXSXKPWVWNR-UHFFFAOYSA-O 1 0 166.244 1.598 10 10 ADCERO COc1ccc([N+](C)(C)C)cc1O 1844076 571785447 /nfs/dbraw/zinc/78/54/47/571785447.db2.gz UKGBXDDVUYXRTN-UHFFFAOYSA-O 1 0 182.243 1.598 10 10 ADCERO C[C@@H](COc1ccc(N)cc1)[NH+](C)C 113278401 571787917 /nfs/dbraw/zinc/78/79/17/571787917.db2.gz ZIUOGXYQWQLNQL-VIFPVBQESA-N 1 0 194.278 1.598 10 10 ADCERO C[C@H](COc1ccc(N)cc1)[NH+](C)C 113278403 571788060 /nfs/dbraw/zinc/78/80/60/571788060.db2.gz ZIUOGXYQWQLNQL-SECBINFHSA-N 1 0 194.278 1.598 10 10 ADCERO CN(C)c1ccc(C[NH+](C)C)cc1N 140223453 571789354 /nfs/dbraw/zinc/78/93/54/571789354.db2.gz DGWXGZPUYHIYMQ-UHFFFAOYSA-N 1 0 193.294 1.396 10 10 ADCERO N#[N+]CC(=O)c1cc2ccccc2[nH]1 37632819 571790268 /nfs/dbraw/zinc/79/02/68/571790268.db2.gz QHFLKAVHQPGYJT-UHFFFAOYSA-N 1 0 185.186 1.651 10 10 ADCERO C[C@@H]1Nc2ccc(O)c(C[NH3+])c2S1 27652590 571792031 /nfs/dbraw/zinc/79/20/31/571792031.db2.gz HQAJCVAQIMTHIH-RXMQYKEDSA-N 1 0 196.275 1.715 10 10 ADCERO C[C@H]1Nc2ccc(O)c(C[NH3+])c2S1 27652594 571794207 /nfs/dbraw/zinc/79/42/07/571794207.db2.gz HQAJCVAQIMTHIH-YFKPBYRVSA-N 1 0 196.275 1.715 10 10 ADCERO COc1ccc(O)c(C[NH3+])c1Cl 214505911 571797589 /nfs/dbraw/zinc/79/75/89/571797589.db2.gz AKEALFFQPDGAMC-UHFFFAOYSA-N 1 0 187.626 1.513 10 10 ADCERO CCN(CC[NH3+])c1ccc(OC)cc1 20239429 571799542 /nfs/dbraw/zinc/79/95/42/571799542.db2.gz QENGUIXTICRIAL-UHFFFAOYSA-N 1 0 194.278 1.480 10 10 ADCERO C[NH2+][C@@H]1CCc2c(ccc(O)c2O)C1 3982113 571820671 /nfs/dbraw/zinc/82/06/71/571820671.db2.gz BHDFPNRSDABMPW-MRVPVSSYSA-N 1 0 193.246 1.175 10 10 ADCERO c1cc2c(cc1N1CCC1)C[NH2+]CC2 687802964 571831683 /nfs/dbraw/zinc/83/16/83/571831683.db2.gz SKFIBKVUXSGLNE-UHFFFAOYSA-N 1 0 188.274 1.542 10 10 ADCERO C[NH2+]CC/C=C(\C)c1nccn1C 211703779 571837693 /nfs/dbraw/zinc/83/76/93/571837693.db2.gz PLBSYDLNOOBFBU-WEVVVXLNSA-N 1 0 179.267 1.433 10 10 ADCERO CC(C)[NH2+][C@H](O)c1ccc(O)c(O)c1 28347533 571843325 /nfs/dbraw/zinc/84/33/25/571843325.db2.gz JLTCHVMMHAHMPI-SNVBAGLBSA-N 1 0 197.234 1.087 10 10 ADCERO CC(C)[NH2+][C@@H](O)c1ccc(O)c(O)c1 28347526 571843642 /nfs/dbraw/zinc/84/36/42/571843642.db2.gz JLTCHVMMHAHMPI-JTQLQIEISA-N 1 0 197.234 1.087 10 10 ADCERO C[NH2+][C@H]1CCc2c(ccc(O)c2O)C1 5700696 571845156 /nfs/dbraw/zinc/84/51/56/571845156.db2.gz BHDFPNRSDABMPW-QMMMGPOBSA-N 1 0 193.246 1.175 10 10 ADCERO C[NH2+][C@H]1CCc2cc(O)c(O)cc21 38386865 571845677 /nfs/dbraw/zinc/84/56/77/571845677.db2.gz QBLRJQPPWMFXFH-QMMMGPOBSA-N 1 0 179.219 1.305 10 10 ADCERO C[NH2+][C@@H]1CCc2cc(O)c(O)cc21 38386863 571845984 /nfs/dbraw/zinc/84/59/84/571845984.db2.gz QBLRJQPPWMFXFH-MRVPVSSYSA-N 1 0 179.219 1.305 10 10 ADCERO C[NH2+][C@@H]1CCc2cc(O)c(O)cc2C1 38392181 571846434 /nfs/dbraw/zinc/84/64/34/571846434.db2.gz DBDJGBHJFQMIEQ-SECBINFHSA-N 1 0 193.246 1.175 10 10 ADCERO C[NH2+][C@H]1CCc2cc(O)c(O)cc2C1 38392182 571847034 /nfs/dbraw/zinc/84/70/34/571847034.db2.gz DBDJGBHJFQMIEQ-VIFPVBQESA-N 1 0 193.246 1.175 10 10 ADCERO C[NH2+]CC/C=C\c1nccn1C 211612561 571847347 /nfs/dbraw/zinc/84/73/47/571847347.db2.gz PVUSAJGMYNCDKT-HYXAFXHYSA-N 1 0 165.240 1.043 10 10 ADCERO CC[NH2+]CC/C=C(\C)c1nccn1C 211705589 571856680 /nfs/dbraw/zinc/85/66/80/571856680.db2.gz FZGGFIWHHUNNQQ-UXBLZVDNSA-N 1 0 193.294 1.823 10 10 ADCERO C[NH+](C)Cc1cccc(O)c1O 5965041 571855172 /nfs/dbraw/zinc/85/51/72/571855172.db2.gz FVIHLQHUULUVEB-UHFFFAOYSA-N 1 0 167.208 1.159 10 10 ADCERO C[C@]1([NH3+])CCc2cc(O)c(O)cc2C1 6032121 571856817 /nfs/dbraw/zinc/85/68/17/571856817.db2.gz SCGLDRJDTNNLIA-NSHDSACASA-N 1 0 193.246 1.304 10 10 ADCERO [NH3+]C1(c2cc3c(cc2O)CCC3)CC1 214564366 571858864 /nfs/dbraw/zinc/85/88/64/571858864.db2.gz VCNGGBRHQWQUKD-UHFFFAOYSA-N 1 0 189.258 1.829 10 10 ADCERO C[C@@H]1Nc2c(N)cccc2C[NH2+][C@H]1C 38866129 571860095 /nfs/dbraw/zinc/86/00/95/571860095.db2.gz HBCQOPCEEZENQF-YUMQZZPRSA-N 1 0 191.278 1.561 10 10 ADCERO Cc1cc(O)c(C[NH3+])c(C)c1C 29218436 571863097 /nfs/dbraw/zinc/86/30/97/571863097.db2.gz MKOQSDKTYHSMEO-UHFFFAOYSA-N 1 0 165.236 1.776 10 10 ADCERO C[C@@H](C[NH3+])c1cnc2ccn(C)c2c1 214573407 571869145 /nfs/dbraw/zinc/86/91/45/571869145.db2.gz WPQDDGYCPGXPIL-QMMMGPOBSA-N 1 0 189.262 1.636 10 10 ADCERO Oc1ccc([C@@H]2CCC[NH2+]C2)cc1O 29243033 571864957 /nfs/dbraw/zinc/86/49/57/571864957.db2.gz UXLLSNYRUTZORA-SECBINFHSA-N 1 0 193.246 1.565 10 10 ADCERO C[NH+](C)[C@@H]1Cc2ccc(O)c(O)c2C1 29228005 571864974 /nfs/dbraw/zinc/86/49/74/571864974.db2.gz OTPYIUAXLHFTIM-MRVPVSSYSA-N 1 0 193.246 1.127 10 10 ADCERO C[NH+](C)[C@H]1Cc2ccc(O)c(O)c2C1 29228011 571865501 /nfs/dbraw/zinc/86/55/01/571865501.db2.gz OTPYIUAXLHFTIM-QMMMGPOBSA-N 1 0 193.246 1.127 10 10 ADCERO Cc1cc(Cl)cc(C[NH3+])c1O 29220646 571866027 /nfs/dbraw/zinc/86/60/27/571866027.db2.gz LJAUEQNEDHTITE-UHFFFAOYSA-N 1 0 171.627 1.813 10 10 ADCERO C[NH2+]CCc1cnc2ccn(C)c2c1 214573106 571870613 /nfs/dbraw/zinc/87/06/13/571870613.db2.gz QDRSVTLXBWAXMU-UHFFFAOYSA-N 1 0 189.262 1.335 10 10 ADCERO Cc1ccc(O)c2c1C[NH2+]C2 39059123 571874079 /nfs/dbraw/zinc/87/40/79/571874079.db2.gz DUYKABWCCUBWEQ-UHFFFAOYSA-N 1 0 149.193 1.304 10 10 ADCERO C[C@H](C[NH3+])c1ccc(O)c(O)c1 29561203 571875087 /nfs/dbraw/zinc/87/50/87/571875087.db2.gz IDLSQOHXWOVTGJ-ZCFIWIBFSA-N 1 0 167.208 1.160 10 10 ADCERO CC[C@H]([NH3+])c1cc(CCO)ccc1O 211621123 571877775 /nfs/dbraw/zinc/87/77/75/571877775.db2.gz CLIOPKLAFJAZDS-JTQLQIEISA-N 1 0 195.262 1.337 10 10 ADCERO C=C=C(C[NH3+])c1cccc(O)c1O 139114707 571891390 /nfs/dbraw/zinc/89/13/90/571891390.db2.gz QGVZZOKGEATPRI-UHFFFAOYSA-N 1 0 177.203 1.225 10 10 ADCERO C=C=C(C[NH3+])Cc1cccc(O)c1O 139117242 571893290 /nfs/dbraw/zinc/89/32/90/571893290.db2.gz PYIYTFSKBRNIEL-UHFFFAOYSA-N 1 0 191.230 1.310 10 10 ADCERO C=C=C(C[NH3+])Cc1ccc(O)c(O)c1 139110280 571893462 /nfs/dbraw/zinc/89/34/62/571893462.db2.gz MIUZBLDWIZMQBG-UHFFFAOYSA-N 1 0 191.230 1.310 10 10 ADCERO C[C@H]([NH3+])c1cc(CCCO)ccc1O 211597550 571893791 /nfs/dbraw/zinc/89/37/91/571893791.db2.gz HMUBDVKYCYKAAU-QMMMGPOBSA-N 1 0 195.262 1.337 10 10 ADCERO CC(C)(C)N[N+](=O)c1ccc(N)cc1 687728817 571906243 /nfs/dbraw/zinc/90/62/43/571906243.db2.gz PTCGZXAQOUHVQC-UHFFFAOYSA-N 1 0 194.258 1.982 10 10 ADCERO [NH3+]C/C=C\c1cccc(O)c1O 687678571 571913622 /nfs/dbraw/zinc/91/36/22/571913622.db2.gz WVXVQDNKHIEBAF-RQOWECAXSA-N 1 0 165.192 1.070 10 10 ADCERO Cc1ccc(/C=C\C[NH3+])c(O)c1O 687679757 571917360 /nfs/dbraw/zinc/91/73/60/571917360.db2.gz XFULUFZGLJFKMB-IHWYPQMZSA-N 1 0 179.219 1.378 10 10 ADCERO Cc1cc(/C=C\C[NH3+])cc(O)c1O 687679755 571917562 /nfs/dbraw/zinc/91/75/62/571917562.db2.gz DSXCFFMJQLXPPO-IHWYPQMZSA-N 1 0 179.219 1.378 10 10 ADCERO [NH3+]Cc1ccc2cc(O)c(O)cc2c1 39311914 571922303 /nfs/dbraw/zinc/92/23/03/571922303.db2.gz FHNVRUYXPHJMNN-UHFFFAOYSA-N 1 0 189.214 1.710 10 10 ADCERO [NH3+]C/C=C\c1c(F)ccc(O)c1O 687680165 571923106 /nfs/dbraw/zinc/92/31/06/571923106.db2.gz GTZXKXBPXUWEIG-UPHRSURJSA-N 1 0 183.182 1.209 10 10 ADCERO [NH3+]C/C=C\c1cc(O)c(O)c(F)c1 687680162 571924039 /nfs/dbraw/zinc/92/40/39/571924039.db2.gz DWPTWIQDVNKZMX-UPHRSURJSA-N 1 0 183.182 1.209 10 10 ADCERO [NH3+]C/C=C\c1ccc(O)c(O)c1F 687680189 571924831 /nfs/dbraw/zinc/92/48/31/571924831.db2.gz HAZHSPBABMFDLS-UPHRSURJSA-N 1 0 183.182 1.209 10 10 ADCERO Cc1c(/C=C\C[NH3+])cc(O)c(O)c1C 687681478 571928629 /nfs/dbraw/zinc/92/86/29/571928629.db2.gz RWBZUPXSNJAKRD-ARJAWSKDSA-N 1 0 193.246 1.687 10 10 ADCERO Cc1ccc(C[NH+](C)C)c(O)c1 39414366 571928742 /nfs/dbraw/zinc/92/87/42/571928742.db2.gz FTOYQDIBORAUQK-UHFFFAOYSA-N 1 0 165.236 1.762 10 10 ADCERO CN(C)c1ccc(/C=C\C[NH3+])cc1F 687681640 571928839 /nfs/dbraw/zinc/92/88/39/571928839.db2.gz RTIBBXVYIANMJY-ARJAWSKDSA-N 1 0 194.253 1.864 10 10 ADCERO Cc1cc(/C=C\C[NH3+])c(O)c(O)c1C 687681474 571930845 /nfs/dbraw/zinc/93/08/45/571930845.db2.gz ODMMFQCSWUMJKN-ARJAWSKDSA-N 1 0 193.246 1.687 10 10 ADCERO [NH3+]C/C=C\c1ccc(Cl)c(O)c1O 687682407 571933519 /nfs/dbraw/zinc/93/35/19/571933519.db2.gz IMYDHSWEYHBWGG-UPHRSURJSA-N 1 0 199.637 1.723 10 10 ADCERO [NH3+]C/C=C\c1c(Cl)ccc(O)c1O 687682404 571934104 /nfs/dbraw/zinc/93/41/04/571934104.db2.gz FCYWKDKXTONEHP-UPHRSURJSA-N 1 0 199.637 1.723 10 10 ADCERO Cc1cc(/C=C\C[NH3+])c(F)c(O)c1O 687682074 571934136 /nfs/dbraw/zinc/93/41/36/571934136.db2.gz URESNXACLDVYMJ-IHWYPQMZSA-N 1 0 197.209 1.517 10 10 ADCERO CCC[NH2+]Cc1cc(N)ccc1O 113864190 571945858 /nfs/dbraw/zinc/94/58/58/571945858.db2.gz JXCIBUJZPALRGP-UHFFFAOYSA-N 1 0 180.251 1.474 10 10 ADCERO C[C@H]([NH3+])CCc1cccc(O)c1O 139531861 571949800 /nfs/dbraw/zinc/94/98/00/571949800.db2.gz TYTFWLVYIPQTMZ-ZETCQYMHSA-N 1 0 181.235 1.378 10 10 ADCERO C[C@@H]([NH3+])CCc1cccc(O)c1O 139531989 571952476 /nfs/dbraw/zinc/95/24/76/571952476.db2.gz TYTFWLVYIPQTMZ-SSDOTTSWSA-N 1 0 181.235 1.378 10 10 ADCERO C[C@@H]1CCN(c2ccc(C[NH3+])cc2)C1 40716728 571961298 /nfs/dbraw/zinc/96/12/98/571961298.db2.gz NIOQLNOOSRHVFF-SNVBAGLBSA-N 1 0 190.290 1.992 10 10 ADCERO CN(C)c1ccc(C[NH+](C)C)c(O)c1 139800558 571973781 /nfs/dbraw/zinc/97/37/81/571973781.db2.gz IAZRPQTUXVHCJF-UHFFFAOYSA-N 1 0 194.278 1.520 10 10 ADCERO [NH3+]C1(c2cc3c(cc2O)COC3)CC1 214633640 571974715 /nfs/dbraw/zinc/97/47/15/571974715.db2.gz GTIRCVHEOHMQOI-UHFFFAOYSA-N 1 0 191.230 1.370 10 10 ADCERO C[NH+](C)Cc1ccc(N)cc1O 139799860 571975358 /nfs/dbraw/zinc/97/53/58/571975358.db2.gz DHAMCTOWKNKRRU-UHFFFAOYSA-N 1 0 166.224 1.036 10 10 ADCERO C[C@H](O)[C@H]([NH3+])c1ccc(N(C)C)cc1 41206837 571983886 /nfs/dbraw/zinc/98/38/86/571983886.db2.gz FETDJDVRCQKPFT-KWQFWETISA-N 1 0 194.278 1.133 10 10 ADCERO CCC[NH2+]CCOc1ccc(N)cc1 41206855 571984046 /nfs/dbraw/zinc/98/40/46/571984046.db2.gz ILAMRPJMWPVINM-UHFFFAOYSA-N 1 0 194.278 1.647 10 10 ADCERO Nc1ccc(O[C@H]2CCC[NH2+]C2)cc1 139935488 571990877 /nfs/dbraw/zinc/99/08/77/571990877.db2.gz RYJHMASIFLSIQW-NSHDSACASA-N 1 0 192.262 1.400 10 10 ADCERO CC[NH+](CC)Cc1c(N)cccc1O 59859377 571993181 /nfs/dbraw/zinc/99/31/81/571993181.db2.gz FUONVZULSRTEPD-UHFFFAOYSA-N 1 0 194.278 1.816 10 10 ADCERO C[C@]1([NH3+])CCCc2cccc(O)c21 219506050 571995736 /nfs/dbraw/zinc/99/57/36/571995736.db2.gz PZEMRAFHFVXWKY-NSHDSACASA-N 1 0 177.247 1.902 10 10 ADCERO C[C@H]1Cc2cccc(O)c2[C@@H](C)[NH2+]1 14723603 572015265 /nfs/dbraw/zinc/01/52/65/572015265.db2.gz YDQCMOAPRXUJIY-JGVFFNPUSA-N 1 0 177.247 1.987 10 10 ADCERO C[C@@H]1[NH2+]CCc2ccc(O)c(O)c21 14723165 572015464 /nfs/dbraw/zinc/01/54/64/572015464.db2.gz ZGMORAIVFRLFQJ-LURJTMIESA-N 1 0 179.219 1.305 10 10 ADCERO C[NH2+]CCSc1nccs1 42409049 572015477 /nfs/dbraw/zinc/01/54/77/572015477.db2.gz VBDCNIWVFZOSCB-UHFFFAOYSA-N 1 0 174.294 1.455 10 10 ADCERO C[C@@H](CO)C[NH2+]Cc1ccccc1O 82367482 572019013 /nfs/dbraw/zinc/01/90/13/572019013.db2.gz KBRNQZOPKLPLCQ-SECBINFHSA-N 1 0 195.262 1.110 10 10 ADCERO C[C@H](CO)C[NH2+]Cc1ccccc1O 82367481 572019070 /nfs/dbraw/zinc/01/90/70/572019070.db2.gz KBRNQZOPKLPLCQ-VIFPVBQESA-N 1 0 195.262 1.110 10 10 ADCERO C[C@H]1[NH2+]CCc2cc(O)c(O)c(O)c21 14724836 572019399 /nfs/dbraw/zinc/01/93/99/572019399.db2.gz TVQYXGYPRKPEFG-RXMQYKEDSA-N 1 0 195.218 1.010 10 10 ADCERO C[C@@H]1[NH2+]CCc2cc(O)c(O)c(O)c21 14724834 572019579 /nfs/dbraw/zinc/01/95/79/572019579.db2.gz TVQYXGYPRKPEFG-YFKPBYRVSA-N 1 0 195.218 1.010 10 10 ADCERO C[C@H]1Cc2cccc(O)c2[C@H](C)[NH2+]1 14723607 572019912 /nfs/dbraw/zinc/01/99/12/572019912.db2.gz YDQCMOAPRXUJIY-YUMQZZPRSA-N 1 0 177.247 1.987 10 10 ADCERO C[C@H]1Cc2cc(O)c(O)cc2C[NH2+]1 33641861 572027696 /nfs/dbraw/zinc/02/76/96/572027696.db2.gz GAYCCAXXEKOMIU-LURJTMIESA-N 1 0 179.219 1.132 10 10 ADCERO C[C@H](Cc1ccc(N)cc1)[NH2+]C1CC1 71428801 572038679 /nfs/dbraw/zinc/03/86/79/572038679.db2.gz SYEJYAJPZBUTDF-SECBINFHSA-N 1 0 190.290 1.952 10 10 ADCERO CC[C@H]([NH3+])Cc1cc(O)c(O)c(O)c1 33861526 572040640 /nfs/dbraw/zinc/04/06/40/572040640.db2.gz PIHTUWXBWJFZBZ-ZETCQYMHSA-N 1 0 197.234 1.083 10 10 ADCERO CC[NH2+][C@H](C)Cc1ccc(N)cc1 71428663 572040597 /nfs/dbraw/zinc/04/05/97/572040597.db2.gz RECLAAYOQSSATR-SECBINFHSA-N 1 0 178.279 1.809 10 10 ADCERO CC[C@@H]([NH3+])Cc1ccc(O)c(O)c1O 33861516 572040626 /nfs/dbraw/zinc/04/06/26/572040626.db2.gz LXDBNMYXFKPSSE-SSDOTTSWSA-N 1 0 197.234 1.083 10 10 ADCERO CC[C@@H]([NH3+])Cc1cc(O)c(O)c(O)c1 33861527 572040735 /nfs/dbraw/zinc/04/07/35/572040735.db2.gz PIHTUWXBWJFZBZ-SSDOTTSWSA-N 1 0 197.234 1.083 10 10 ADCERO CC[NH2+][C@@H](C)Cc1ccc(N)cc1 71428662 572040756 /nfs/dbraw/zinc/04/07/56/572040756.db2.gz RECLAAYOQSSATR-VIFPVBQESA-N 1 0 178.279 1.809 10 10 ADCERO CCCOc1ccc(O)c(C[NH3+])c1 71455146 572047541 /nfs/dbraw/zinc/04/75/41/572047541.db2.gz JVFNGSVECIEPAK-UHFFFAOYSA-N 1 0 181.235 1.640 10 10 ADCERO CC(C)COc1ccc(O)c(C[NH3+])c1 71455202 572048275 /nfs/dbraw/zinc/04/82/75/572048275.db2.gz PYZCXSAVQKVKCI-UHFFFAOYSA-N 1 0 195.262 1.886 10 10 ADCERO Nc1ccc(CCC2=[NH+]CCN2)cc1 34076190 572052626 /nfs/dbraw/zinc/05/26/26/572052626.db2.gz RCMAQTNGICROBI-UHFFFAOYSA-N 1 0 189.262 1.203 10 10 ADCERO Cc1cc(C[NH3+])c(O)c2c1CCC2=O 34102709 572054632 /nfs/dbraw/zinc/05/46/32/572054632.db2.gz NDPGJINNPPRNKX-UHFFFAOYSA-N 1 0 191.230 1.288 10 10 ADCERO COc1ccc([C@H](C)[NH3+])c(O)c1OC 34256860 572065891 /nfs/dbraw/zinc/06/58/91/572065891.db2.gz FCARLFYVENFHIW-LURJTMIESA-N 1 0 197.234 1.429 10 10 ADCERO [NH3+]CCSc1ccc(O)c(O)c1 34334115 572075145 /nfs/dbraw/zinc/07/51/45/572075145.db2.gz WNZCIPHBGUISFQ-UHFFFAOYSA-N 1 0 185.248 1.149 10 10 ADCERO CC[N@H+](C)CCOc1ccc(N)cc1 37078094 572082841 /nfs/dbraw/zinc/08/28/41/572082841.db2.gz HXNSRWSCZAIFEI-UHFFFAOYSA-N 1 0 194.278 1.599 10 10 ADCERO CCCCC[N+]#N 34497392 572089200 /nfs/dbraw/zinc/08/92/00/572089200.db2.gz HSIXZGAHLLBZIH-UHFFFAOYSA-N 1 0 98.149 1.477 10 10 ADCERO Cn1cccc1/C=C\CC[NH3+] 214907170 572090335 /nfs/dbraw/zinc/09/03/35/572090335.db2.gz KLBYAINKRWXYAK-DJWKRKHSSA-N 1 0 150.225 1.387 10 10 ADCERO CCCN(C)c1ccc(C[NH3+])cc1 37097716 572092567 /nfs/dbraw/zinc/09/25/67/572092567.db2.gz CFCZSNDKABDWHG-UHFFFAOYSA-N 1 0 178.279 1.992 10 10 ADCERO C[C@@H]1[NH2+][C@H](C)Cc2cc(O)c(O)cc21 71485098 572106859 /nfs/dbraw/zinc/10/68/59/572106859.db2.gz KOGYNXRFBISGEZ-RQJHMYQMSA-N 1 0 193.246 1.693 10 10 ADCERO C[C@H]1Cc2cc(O)c(O)cc2[C@@H](C)[NH2+]1 71485103 572107594 /nfs/dbraw/zinc/10/75/94/572107594.db2.gz KOGYNXRFBISGEZ-NKWVEPMBSA-N 1 0 193.246 1.693 10 10 ADCERO C[C@H]1Cc2cc(O)c(O)cc2[C@H](C)[NH2+]1 71485099 572107674 /nfs/dbraw/zinc/10/76/74/572107674.db2.gz KOGYNXRFBISGEZ-BQBZGAKWSA-N 1 0 193.246 1.693 10 10 ADCERO CCC[N@H+](C)Cc1cc(N)ccc1O 37273348 572110790 /nfs/dbraw/zinc/11/07/90/572110790.db2.gz YAQOOZBBHYFIML-UHFFFAOYSA-N 1 0 194.278 1.816 10 10 ADCERO N#[N+]C1CCCCC1 34849888 572112162 /nfs/dbraw/zinc/11/21/62/572112162.db2.gz RICNAEXRYUNDCD-UHFFFAOYSA-N 1 0 110.160 1.621 10 10 ADCERO CN(C)c1ccc2c(c1)CC[C@@H]2[NH3+] 35032502 572117979 /nfs/dbraw/zinc/11/79/79/572117979.db2.gz XOUANLILGOPKLH-NSHDSACASA-N 1 0 176.263 1.699 10 10 ADCERO COc1cc(C[NH3+])ccc1N1CCC1 687711034 572162090 /nfs/dbraw/zinc/16/20/90/572162090.db2.gz XCXHOTNCRBPWQP-UHFFFAOYSA-N 1 0 192.262 1.364 10 10 ADCERO N#[N+]CC(=O)c1cccc(Cl)c1 82131576 572169773 /nfs/dbraw/zinc/16/97/73/572169773.db2.gz BRLBAVATUULPLC-UHFFFAOYSA-N 1 0 180.594 1.823 10 10 ADCERO [NH3+][C@H]1C[C@@H]2C[C@H]1c1cc(O)c(O)cc12 36093066 572190859 /nfs/dbraw/zinc/19/08/59/572190859.db2.gz QPAZOFORCJMYGG-HQLVHBAOSA-N 1 0 191.230 1.400 10 10 ADCERO CC[C@H](C[NH3+])Sc1nccs1 43542597 572196732 /nfs/dbraw/zinc/19/67/32/572196732.db2.gz CRESVROBIQGXBC-ZCFIWIBFSA-N 1 0 188.321 1.973 10 10 ADCERO CC[C@@H](C[NH3+])Sc1nccs1 43542596 572197514 /nfs/dbraw/zinc/19/75/14/572197514.db2.gz CRESVROBIQGXBC-LURJTMIESA-N 1 0 188.321 1.973 10 10 ADCERO CC(C)[NH2+]Cc1ccc(O)c(O)c1 19880443 572203010 /nfs/dbraw/zinc/20/30/10/572203010.db2.gz HZYGCVOWKHTAAF-UHFFFAOYSA-N 1 0 181.235 1.596 10 10 ADCERO CC(C)[NH2+]Cc1ccc(O)cc1O 19880489 572203166 /nfs/dbraw/zinc/20/31/66/572203166.db2.gz PPXPNWYOPDCIBN-UHFFFAOYSA-N 1 0 181.235 1.596 10 10 ADCERO CC(C)N(C)c1ccc(C[NH3+])cc1 19865391 572203784 /nfs/dbraw/zinc/20/37/84/572203784.db2.gz FEHJNUOGGKZEDC-UHFFFAOYSA-N 1 0 178.279 1.990 10 10 ADCERO CC[C@@H](C)[NH2+]Cc1ccc(O)cc1O 19881989 572204277 /nfs/dbraw/zinc/20/42/77/572204277.db2.gz OKAYCZWERQYVGB-MRVPVSSYSA-N 1 0 195.262 1.986 10 10 ADCERO CC(C)C[NH2+]Cc1ccc(O)cc1O 19882996 572204665 /nfs/dbraw/zinc/20/46/65/572204665.db2.gz GQQXOTHPSLKBGK-UHFFFAOYSA-N 1 0 195.262 1.843 10 10 ADCERO [NH3+]Cc1c(O)ccc2cccc(O)c12 687822326 572204876 /nfs/dbraw/zinc/20/48/76/572204876.db2.gz QWNBHXAZGNATHG-UHFFFAOYSA-N 1 0 189.214 1.710 10 10 ADCERO C[C@H]([NH3+])c1ccc(N(C)C)c(F)c1 19872733 572204877 /nfs/dbraw/zinc/20/48/77/572204877.db2.gz KIJNDCUOIOUWGZ-ZETCQYMHSA-N 1 0 182.242 1.911 10 10 ADCERO Cc1cccc(C[NH2+]C[C@@H](C)O)c1O 83342291 572204901 /nfs/dbraw/zinc/20/49/01/572204901.db2.gz QSZZKEZYJNGYIW-SECBINFHSA-N 1 0 195.262 1.171 10 10 ADCERO Cc1cccc(C[NH2+]C[C@H](C)O)c1O 83342292 572205663 /nfs/dbraw/zinc/20/56/63/572205663.db2.gz QSZZKEZYJNGYIW-VIFPVBQESA-N 1 0 195.262 1.171 10 10 ADCERO [NH3+][C@@H]1CCCc2c1ccc(O)c2O 140388594 572206245 /nfs/dbraw/zinc/20/62/45/572206245.db2.gz DKJQPWKWFQIMBD-MRVPVSSYSA-N 1 0 179.219 1.434 10 10 ADCERO [NH3+][C@H]1CCCc2c1ccc(O)c2O 140388741 572207835 /nfs/dbraw/zinc/20/78/35/572207835.db2.gz DKJQPWKWFQIMBD-QMMMGPOBSA-N 1 0 179.219 1.434 10 10 ADCERO Cc1ccc(S(=O)(=O)C[N+]#N)cc1 36448518 572211249 /nfs/dbraw/zinc/21/12/49/572211249.db2.gz QFHJSLSPJIDEIS-UHFFFAOYSA-N 1 0 196.231 1.027 10 10 ADCERO CC[C@H]([NH3+])Cc1ccc(O)c(O)c1 36778867 572220978 /nfs/dbraw/zinc/22/09/78/572220978.db2.gz ZVTVIPHSXNUZQH-QMMMGPOBSA-N 1 0 181.235 1.378 10 10 ADCERO CC[C@@H]([NH3+])Cc1ccc(O)c(O)c1 36778869 572222749 /nfs/dbraw/zinc/22/27/49/572222749.db2.gz ZVTVIPHSXNUZQH-MRVPVSSYSA-N 1 0 181.235 1.378 10 10 ADCERO C[C@H]([NH3+])c1ccc(N(C)CCO)cc1 37899408 572230180 /nfs/dbraw/zinc/23/01/80/572230180.db2.gz VLLQELCHNHIHQL-VIFPVBQESA-N 1 0 194.278 1.135 10 10 ADCERO CN(c1ccc(C[NH3+])cc1F)C1CC1 37081385 572235755 /nfs/dbraw/zinc/23/57/55/572235755.db2.gz NNMZTGOUZNPBSP-UHFFFAOYSA-N 1 0 194.253 1.883 10 10 ADCERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(O)cc1O 52271459 572336134 /nfs/dbraw/zinc/33/61/34/572336134.db2.gz MLZJUBBKSAROSP-XVKPBYJWSA-N 1 0 193.246 1.596 10 10 ADCERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(O)cc1O 52271456 572337527 /nfs/dbraw/zinc/33/75/27/572337527.db2.gz MLZJUBBKSAROSP-XCBNKYQSSA-N 1 0 193.246 1.596 10 10 ADCERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(O)cc1O 52271464 572339144 /nfs/dbraw/zinc/33/91/44/572339144.db2.gz MLZJUBBKSAROSP-OIBJUYFYSA-N 1 0 193.246 1.596 10 10 ADCERO C[NH2+]Cc1cc(C)c(OC)c(C)c1O 214811799 572347246 /nfs/dbraw/zinc/34/72/46/572347246.db2.gz WUKNKUWZPCGBKK-UHFFFAOYSA-N 1 0 195.262 1.737 10 10 ADCERO C[C@@H]1Nc2c(N)cccc2C[NH2+][C@@H]1C 140902664 572356308 /nfs/dbraw/zinc/35/63/08/572356308.db2.gz HBCQOPCEEZENQF-SFYZADRCSA-N 1 0 191.278 1.561 10 10 ADCERO C[N@@H+]1CCC[C@H]1Cc1ccc(N)cc1 39416767 572365647 /nfs/dbraw/zinc/36/56/47/572365647.db2.gz VDSNKERDALCECS-LBPRGKRZSA-N 1 0 190.290 1.906 10 10 ADCERO Cc1cc(C[NH3+])c(O)c2c1CCC2 44249516 572376494 /nfs/dbraw/zinc/37/64/94/572376494.db2.gz YMPBUFSXUYDYCB-UHFFFAOYSA-N 1 0 177.247 1.648 10 10 ADCERO CN(C)c1ccc([C@@H]2CC[NH2+]2)cc1 44257538 572380785 /nfs/dbraw/zinc/38/07/85/572380785.db2.gz VDPIQHJYBAHUHV-NSHDSACASA-N 1 0 176.263 1.787 10 10 ADCERO CN(C)c1ccc([C@H]2CC[NH2+]2)cc1 44257543 572382950 /nfs/dbraw/zinc/38/29/50/572382950.db2.gz VDPIQHJYBAHUHV-LLVKDONJSA-N 1 0 176.263 1.787 10 10 ADCERO CCC[C@@H]([NH3+])Cc1ccc(N)cc1 238224840 572388407 /nfs/dbraw/zinc/38/84/07/572388407.db2.gz NFQQKOJNJNWEDX-LLVKDONJSA-N 1 0 178.279 1.939 10 10 ADCERO CCC[C@@H]([NH3+])c1c(O)cccc1CO 238228417 572391061 /nfs/dbraw/zinc/39/10/61/572391061.db2.gz XUUGGWRRDQCKGJ-SECBINFHSA-N 1 0 195.262 1.684 10 10 ADCERO Cn1c(C[NH3+])ccc1-c1ccco1 76601400 572394871 /nfs/dbraw/zinc/39/48/71/572394871.db2.gz BNEVADIVOKVPMG-UHFFFAOYSA-N 1 0 176.219 1.744 10 10 ADCERO C[Si](C)(C)CC(=O)C[N+]#N 687825862 572395554 /nfs/dbraw/zinc/39/55/54/572395554.db2.gz XHPRCQUJXYZASF-UHFFFAOYSA-N 1 0 156.261 1.194 10 10 ADCERO Nc1ccc(C[NH2+]CCF)cc1 308015650 572404259 /nfs/dbraw/zinc/40/42/59/572404259.db2.gz RERSSPXNJQAQSU-UHFFFAOYSA-N 1 0 168.215 1.328 10 10 ADCERO CC[C@@H]([NH3+])Cc1cccc(O)c1O 44399491 572411128 /nfs/dbraw/zinc/41/11/28/572411128.db2.gz SSLZYHLJZCSOJY-MRVPVSSYSA-N 1 0 181.235 1.378 10 10 ADCERO CC[C@H]([NH3+])Cc1ccc(N)cc1 44409715 572411424 /nfs/dbraw/zinc/41/14/24/572411424.db2.gz LVNBTYZEQHVUTM-VIFPVBQESA-N 1 0 164.252 1.549 10 10 ADCERO CC[C@@H]([NH3+])Cc1ccc(N)cc1 44409717 572412161 /nfs/dbraw/zinc/41/21/61/572412161.db2.gz LVNBTYZEQHVUTM-SECBINFHSA-N 1 0 164.252 1.549 10 10 ADCERO CC[C@@H]([NH3+])Cc1cc(O)c(O)cc1O 44399900 572412682 /nfs/dbraw/zinc/41/26/82/572412682.db2.gz IEFKGDNDYWFIEA-SSDOTTSWSA-N 1 0 197.234 1.083 10 10 ADCERO CC[C@H]([NH3+])Cc1cc(O)c(O)cc1O 44399898 572412860 /nfs/dbraw/zinc/41/28/60/572412860.db2.gz IEFKGDNDYWFIEA-ZETCQYMHSA-N 1 0 197.234 1.083 10 10 ADCERO CC[C@H]([NH3+])Cc1cccc(O)c1O 44399489 572413025 /nfs/dbraw/zinc/41/30/25/572413025.db2.gz SSLZYHLJZCSOJY-QMMMGPOBSA-N 1 0 181.235 1.378 10 10 ADCERO Cc1cc(N(C)C)ccc1[C@@H](N)C[NH3+] 44469555 572421853 /nfs/dbraw/zinc/42/18/53/572421853.db2.gz SMJNJVHEUXJOLD-NSHDSACASA-N 1 0 193.294 1.020 10 10 ADCERO Cn1c(C[NH3+])ccc1-c1ccccn1 76632477 572423409 /nfs/dbraw/zinc/42/34/09/572423409.db2.gz XPNFBSLJFKGAGR-UHFFFAOYSA-N 1 0 187.246 1.546 10 10 ADCERO Cn1ccc2c(C(=O)CN)cccc21 76632991 572423460 /nfs/dbraw/zinc/42/34/60/572423460.db2.gz YEEGJHYFJSXJRX-UHFFFAOYSA-N 1 0 188.230 1.320 10 10 ADCERO CN=NC1=CN(CCC[NH3+])CCC1 308022331 572433106 /nfs/dbraw/zinc/43/31/06/572433106.db2.gz UHASJPHYZLEKFA-UHFFFAOYSA-N 1 0 182.271 1.354 10 10 ADCERO Cc1c2c(CC[NH3+])nccc2cn1C 76633650 572435857 /nfs/dbraw/zinc/43/58/57/572435857.db2.gz ZLMQFOQZPMLIOF-UHFFFAOYSA-N 1 0 189.262 1.383 10 10 ADCERO Cn1cc(N)c2ccc(CC[NH3+])cc21 76633675 572436755 /nfs/dbraw/zinc/43/67/55/572436755.db2.gz ZDCYMRPCVCMZLN-UHFFFAOYSA-N 1 0 189.262 1.262 10 10 ADCERO CCC[C@H]([NH3+])Cc1ccc(N)cc1 238239598 572440832 /nfs/dbraw/zinc/44/08/32/572440832.db2.gz NFQQKOJNJNWEDX-NSHDSACASA-N 1 0 178.279 1.939 10 10 ADCERO [NH3+]CCCCCc1ccc(O)c(O)c1 74244246 572464724 /nfs/dbraw/zinc/46/47/24/572464724.db2.gz QYYSBFNKGFNWKD-UHFFFAOYSA-N 1 0 195.262 1.769 10 10 ADCERO CN1CCc2cc(/C=C/C[NH3+])ccc21 69049819 572466276 /nfs/dbraw/zinc/46/62/76/572466276.db2.gz NOGDDXRRYNZWAZ-NSCUHMNNSA-N 1 0 188.274 1.651 10 10 ADCERO CC(C)([NH3+])C(=O)c1ccc(O)c(O)c1 74245096 572473588 /nfs/dbraw/zinc/47/35/88/572473588.db2.gz RUODFLRKMNTYEA-UHFFFAOYSA-N 1 0 195.218 1.018 10 10 ADCERO C[N@@H+]1CC[C@H](N)[C@H]1c1ccccc1O 250560159 572480412 /nfs/dbraw/zinc/48/04/12/572480412.db2.gz CGNVQOHCXXCWSV-GXSJLCMTSA-N 1 0 192.262 1.096 10 10 ADCERO C[N@@H+]1CC[C@@H](N)[C@H]1c1ccccc1O 250560161 572482824 /nfs/dbraw/zinc/48/28/24/572482824.db2.gz CGNVQOHCXXCWSV-MWLCHTKSSA-N 1 0 192.262 1.096 10 10 ADCERO Cn1c(C[NH3+])ccc1-c1cncs1 74247769 572499312 /nfs/dbraw/zinc/49/93/12/572499312.db2.gz RTHVVONOUQNQLF-UHFFFAOYSA-N 1 0 193.275 1.607 10 10 ADCERO Cc1ccc(C(=O)C[N+]#N)cc1 78763708 572499987 /nfs/dbraw/zinc/49/99/87/572499987.db2.gz XJXHQFDKVHPDHF-UHFFFAOYSA-N 1 0 160.176 1.478 10 10 ADCERO C[C@H](CNc1ccc(N)cc1)[NH+](C)C 45105841 572508455 /nfs/dbraw/zinc/50/84/55/572508455.db2.gz USHBCFAEGKHPSC-SECBINFHSA-N 1 0 193.294 1.631 10 10 ADCERO Cn1ccc(-c2ccc(C[NH3+])n2C)c1 74275620 572522846 /nfs/dbraw/zinc/52/28/46/572522846.db2.gz DMPFFCKKMHYMRX-UHFFFAOYSA-N 1 0 189.262 1.489 10 10 ADCERO Oc1ccc([C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cc1O 250886296 572531576 /nfs/dbraw/zinc/53/15/76/572531576.db2.gz JCDHSUAKISUSIW-LAEOZQHASA-N 1 0 191.230 1.378 10 10 ADCERO Cc1cc(-c2ccc(C[NH3+])n2C)n[nH]1 74274006 572532093 /nfs/dbraw/zinc/53/20/93/572532093.db2.gz FYMFHEBBECTNKB-UHFFFAOYSA-N 1 0 190.250 1.182 10 10 ADCERO Cc1c[nH]nc1-c1ccc(C[NH3+])n1C 74274008 572533529 /nfs/dbraw/zinc/53/35/29/572533529.db2.gz QXSMIFRYWBKHAV-UHFFFAOYSA-N 1 0 190.250 1.182 10 10 ADCERO Cc1ccc(-c2c[nH]c(C[NH3+])n2)n1C 74274106 572534477 /nfs/dbraw/zinc/53/44/77/572534477.db2.gz BJOJGIJZJPAKDR-UHFFFAOYSA-N 1 0 190.250 1.182 10 10 ADCERO Cn1c(C[NH3+])ccc1-c1ccncc1 74278852 572542855 /nfs/dbraw/zinc/54/28/55/572542855.db2.gz REEGMUHNIIKOLB-UHFFFAOYSA-N 1 0 187.246 1.546 10 10 ADCERO C[NH2+][C@@H](C)CCc1ccc(O)c(O)c1 84349749 572543306 /nfs/dbraw/zinc/54/33/06/572543306.db2.gz OZEOPQRCKZKVMS-QMMMGPOBSA-N 1 0 195.262 1.638 10 10 ADCERO C[NH2+][C@H](C)CCc1ccc(O)c(O)c1 84349754 572543755 /nfs/dbraw/zinc/54/37/55/572543755.db2.gz OZEOPQRCKZKVMS-MRVPVSSYSA-N 1 0 195.262 1.638 10 10 ADCERO CCOc1cccc([C@H]([NH3+])CF)c1O 238303347 572545818 /nfs/dbraw/zinc/54/58/18/572545818.db2.gz LSMQDCZYNGNHEI-MRVPVSSYSA-N 1 0 199.225 1.760 10 10 ADCERO C[NH2+][C@@H](C)C(=O)c1ccsc1N 74282970 572544575 /nfs/dbraw/zinc/54/45/75/572544575.db2.gz WMLLIYZXAOIEKZ-YFKPBYRVSA-N 1 0 184.264 1.121 10 10 ADCERO CCc1cccc([C@@H](CO)[NH2+]C)c1O 238303390 572545760 /nfs/dbraw/zinc/54/57/60/572545760.db2.gz WGTAIPLVVGMBDE-SNVBAGLBSA-N 1 0 195.262 1.207 10 10 ADCERO CCc1cccc([C@@H]([NH3+])COC)c1O 238303659 572545958 /nfs/dbraw/zinc/54/59/58/572545958.db2.gz YXOXSXJBIJEUES-JTQLQIEISA-N 1 0 195.262 1.601 10 10 ADCERO C[NH2+][C@@H](C)COc1ccc(N)cc1 238317537 572556348 /nfs/dbraw/zinc/55/63/48/572556348.db2.gz BFSZCOKXCBLUHR-QMMMGPOBSA-N 1 0 180.251 1.256 10 10 ADCERO COC[C@H]([NH3+])c1ccc(N(C)C)cc1 84454982 572556766 /nfs/dbraw/zinc/55/67/66/572556766.db2.gz JKOIGDQVBJBXJZ-NSHDSACASA-N 1 0 194.278 1.399 10 10 ADCERO COC[C@@H]([NH3+])c1ccc(N(C)C)cc1 84454981 572558610 /nfs/dbraw/zinc/55/86/10/572558610.db2.gz JKOIGDQVBJBXJZ-LLVKDONJSA-N 1 0 194.278 1.399 10 10 ADCERO C[C@@H]([NH2+]C1CC1)c1c(O)cccc1O 235178548 572602533 /nfs/dbraw/zinc/60/25/33/572602533.db2.gz ZVQFFEFXGJCLRL-SSDOTTSWSA-N 1 0 193.246 1.911 10 10 ADCERO CC(C)[NH2+]CCc1cccc(O)c1O 115084734 572603778 /nfs/dbraw/zinc/60/37/78/572603778.db2.gz VWYOTIAXHCZVOG-UHFFFAOYSA-N 1 0 195.262 1.638 10 10 ADCERO NC(=[NH2+])/N=N/c1ccc(F)cc1 140821352 572609119 /nfs/dbraw/zinc/60/91/19/572609119.db2.gz JBRMSYAERZWVLP-VAWYXSNFSA-N 1 0 166.159 1.803 10 10 ADCERO Cc1ccc([C@H]([NH3+])CO)c(O)c1C 72197450 572609959 /nfs/dbraw/zinc/60/99/59/572609959.db2.gz MMHDHXSMJNTVTJ-SECBINFHSA-N 1 0 181.235 1.001 10 10 ADCERO Cc1cc(C)c(O)c([C@H]([NH3+])CO)c1 72197456 572609965 /nfs/dbraw/zinc/60/99/65/572609965.db2.gz LSRCVVQIWDKWHV-SECBINFHSA-N 1 0 181.235 1.001 10 10 ADCERO Cc1ccc(C)c([C@H]([NH3+])CO)c1O 72197448 572610097 /nfs/dbraw/zinc/61/00/97/572610097.db2.gz FTPURWRRHSKKJI-MRVPVSSYSA-N 1 0 181.235 1.001 10 10 ADCERO CCCc1cccc([C@@H]([NH3+])CO)c1O 72197762 572610380 /nfs/dbraw/zinc/61/03/80/572610380.db2.gz DPUGQHKMICDBPX-JTQLQIEISA-N 1 0 195.262 1.337 10 10 ADCERO Cc1cc(O)c([C@H]([NH3+])CO)cc1C 72197442 572610396 /nfs/dbraw/zinc/61/03/96/572610396.db2.gz FIZWXMFHROMVQU-SECBINFHSA-N 1 0 181.235 1.001 10 10 ADCERO CCCc1ccc(O)c([C@H]([NH3+])CO)c1 72197757 572610500 /nfs/dbraw/zinc/61/05/00/572610500.db2.gz DGNBCEOVNIHCBM-SNVBAGLBSA-N 1 0 195.262 1.337 10 10 ADCERO Cc1ccc(C)c([C@@H]([NH3+])CO)c1O 72197449 572610551 /nfs/dbraw/zinc/61/05/51/572610551.db2.gz FTPURWRRHSKKJI-QMMMGPOBSA-N 1 0 181.235 1.001 10 10 ADCERO Cc1cc(C)c([C@@H]([NH3+])CO)c(O)c1 72197447 572611378 /nfs/dbraw/zinc/61/13/78/572611378.db2.gz GWOWYWFZNRIYBM-QMMMGPOBSA-N 1 0 181.235 1.001 10 10 ADCERO CC(C)c1ccc(O)c([C@@H]([NH3+])CO)c1 72197756 572611487 /nfs/dbraw/zinc/61/14/87/572611487.db2.gz PSZVEXLUHGHQAA-JTQLQIEISA-N 1 0 195.262 1.508 10 10 ADCERO C=Cc1ccc(O)c([C@@H]([NH3+])COC)c1 238358746 572611781 /nfs/dbraw/zinc/61/17/81/572611781.db2.gz BLHLAYLOZRVWLV-JTQLQIEISA-N 1 0 193.246 1.681 10 10 ADCERO CCCc1cccc([C@H]([NH3+])CO)c1O 72197761 572612176 /nfs/dbraw/zinc/61/21/76/572612176.db2.gz DPUGQHKMICDBPX-SNVBAGLBSA-N 1 0 195.262 1.337 10 10 ADCERO Cc1cc(C)c([C@H]([NH3+])CO)c(O)c1 72197446 572612344 /nfs/dbraw/zinc/61/23/44/572612344.db2.gz GWOWYWFZNRIYBM-MRVPVSSYSA-N 1 0 181.235 1.001 10 10 ADCERO Cc1cc(C)c(O)c([C@@H]([NH3+])CO)c1 72197457 572612589 /nfs/dbraw/zinc/61/25/89/572612589.db2.gz LSRCVVQIWDKWHV-VIFPVBQESA-N 1 0 181.235 1.001 10 10 ADCERO CCCc1ccc(O)c([C@@H]([NH3+])CO)c1 72197758 572612785 /nfs/dbraw/zinc/61/27/85/572612785.db2.gz DGNBCEOVNIHCBM-JTQLQIEISA-N 1 0 195.262 1.337 10 10 ADCERO C=Cc1ccc(O)c([C@H](CO)[NH2+]C)c1 238359142 572614060 /nfs/dbraw/zinc/61/40/60/572614060.db2.gz IJPZGJIVAKRVCL-JTQLQIEISA-N 1 0 193.246 1.288 10 10 ADCERO C=Cc1ccc(O)c([C@@H](CO)[NH2+]C)c1 238359756 572617615 /nfs/dbraw/zinc/61/76/15/572617615.db2.gz IJPZGJIVAKRVCL-SNVBAGLBSA-N 1 0 193.246 1.288 10 10 ADCERO COC[C@H]([NH3+])c1ccc(OC)cc1O 238363815 572623511 /nfs/dbraw/zinc/62/35/11/572623511.db2.gz JVZOWKJXWIBVRR-VIFPVBQESA-N 1 0 197.234 1.047 10 10 ADCERO C=Cc1ccc(O)c([C@H]([NH3+])COC)c1 238376397 572638539 /nfs/dbraw/zinc/63/85/39/572638539.db2.gz BLHLAYLOZRVWLV-SNVBAGLBSA-N 1 0 193.246 1.681 10 10 ADCERO CC(C)c1ccc(O)c([C@@H]([NH3+])CN)c1 72200432 572639000 /nfs/dbraw/zinc/63/90/00/572639000.db2.gz TYSNNNWIKKOWEP-JTQLQIEISA-N 1 0 194.278 1.474 10 10 ADCERO COC[C@@H]([NH3+])c1ccc(OC)cc1O 238379857 572650676 /nfs/dbraw/zinc/65/06/76/572650676.db2.gz JVZOWKJXWIBVRR-SECBINFHSA-N 1 0 197.234 1.047 10 10 ADCERO OCc1cccc([C@H]2CCC[NH2+]2)c1O 72201649 572650845 /nfs/dbraw/zinc/65/08/45/572650845.db2.gz OZSCGICDTUZFGY-SNVBAGLBSA-N 1 0 193.246 1.309 10 10 ADCERO Cc1cc(O)c([C@H]2CCC[NH2+]2)c(O)c1 72201652 572651294 /nfs/dbraw/zinc/65/12/94/572651294.db2.gz CEIUEYLTABJVFB-MRVPVSSYSA-N 1 0 193.246 1.831 10 10 ADCERO OCc1ccc(O)c([C@@H]2CCC[NH2+]2)c1 72201646 572652126 /nfs/dbraw/zinc/65/21/26/572652126.db2.gz YKNQGURREIULTQ-JTQLQIEISA-N 1 0 193.246 1.309 10 10 ADCERO OCc1cccc([C@@H]2CCC[NH2+]2)c1O 72201648 572652463 /nfs/dbraw/zinc/65/24/63/572652463.db2.gz OZSCGICDTUZFGY-JTQLQIEISA-N 1 0 193.246 1.309 10 10 ADCERO Cc1cc(N)c(O)c([C@H]2CCC[NH2+]2)c1 72201642 572653083 /nfs/dbraw/zinc/65/30/83/572653083.db2.gz ATWDLRYULAUXNT-SNVBAGLBSA-N 1 0 192.262 1.707 10 10 ADCERO Cc1cc(O)c([C@@H]2CCC[NH2+]2)c(O)c1 72201651 572653275 /nfs/dbraw/zinc/65/32/75/572653275.db2.gz CEIUEYLTABJVFB-QMMMGPOBSA-N 1 0 193.246 1.831 10 10 ADCERO [NH3+]C1(c2cc3c(cc2O)OCO3)CC1 214712630 572683119 /nfs/dbraw/zinc/68/31/19/572683119.db2.gz JKGHTRGQGZLHON-UHFFFAOYSA-N 1 0 193.202 1.069 10 10 ADCERO [NH3+]C1(c2c(O)ccc3c2OCO3)CC1 214712561 572683447 /nfs/dbraw/zinc/68/34/47/572683447.db2.gz WXOSGQYAWWDLTJ-UHFFFAOYSA-N 1 0 193.202 1.069 10 10 ADCERO CCN(CCF)c1ccc(C[NH3+])cc1 87774461 572705298 /nfs/dbraw/zinc/70/52/98/572705298.db2.gz BQYCYMSJEUTQKB-UHFFFAOYSA-N 1 0 196.269 1.941 10 10 ADCERO CN(CCF)c1ccc(C[NH3+])cc1 87774460 572707548 /nfs/dbraw/zinc/70/75/48/572707548.db2.gz RHSYVUZURRSVSU-UHFFFAOYSA-N 1 0 182.242 1.551 10 10 ADCERO C[N@H+](CCF)Cc1ccc(N)cc1 87775877 572710626 /nfs/dbraw/zinc/71/06/26/572710626.db2.gz BZUMEAJIOHDSCR-UHFFFAOYSA-N 1 0 182.242 1.670 10 10 ADCERO CCn1cccc1/C=C/CC[NH3+] 85610125 572774132 /nfs/dbraw/zinc/77/41/32/572774132.db2.gz MEKZGSNMDGURIL-ZZXKWVIFSA-N 1 0 164.252 1.870 10 10 ADCERO C[C@@H](Cc1ccc(N)cc1)[NH2+]C1CC1 71428800 572789545 /nfs/dbraw/zinc/78/95/45/572789545.db2.gz SYEJYAJPZBUTDF-VIFPVBQESA-N 1 0 190.290 1.952 10 10 ADCERO Cc1ccc(O)c2c1C(=O)C[C@H]2[NH3+] 713753680 572790913 /nfs/dbraw/zinc/79/09/13/572790913.db2.gz OCSDWJLUMZXOND-ZCFIWIBFSA-N 1 0 177.203 1.287 10 10 ADCERO Cc1ccc(O)c2c1C(=O)C[C@@H]2[NH3+] 713753677 572791313 /nfs/dbraw/zinc/79/13/13/572791313.db2.gz OCSDWJLUMZXOND-LURJTMIESA-N 1 0 177.203 1.287 10 10 ADCERO COc1ccc2c(c1)C[C@H]([NH3+])CN2C 75068046 572802054 /nfs/dbraw/zinc/80/20/54/572802054.db2.gz RPMVQRYIJMWMAW-VIFPVBQESA-N 1 0 192.262 1.015 10 10 ADCERO COc1ccc2c(c1)C[C@@H]([NH3+])CN2C 75068045 572805078 /nfs/dbraw/zinc/80/50/78/572805078.db2.gz RPMVQRYIJMWMAW-SECBINFHSA-N 1 0 192.262 1.015 10 10 ADCERO CC(C)Oc1ccc(O)c(C[NH3+])c1 71455257 572808592 /nfs/dbraw/zinc/80/85/92/572808592.db2.gz NTENZUMYAIRKBC-UHFFFAOYSA-N 1 0 181.235 1.638 10 10 ADCERO C[C@H](Sc1nccs1)C(N)=[NH2+] 49832652 572816689 /nfs/dbraw/zinc/81/66/89/572816689.db2.gz FAXLXIIYTIZAGI-BYPYZUCNSA-N 1 0 187.293 1.560 10 10 ADCERO Cn1ccc2c(CC[NH3+])c(F)ccc21 75120271 572818424 /nfs/dbraw/zinc/81/84/24/572818424.db2.gz SKVGSQBEDJYAIC-UHFFFAOYSA-N 1 0 192.237 1.819 10 10 ADCERO Nc1ccc(OCCCCC[NH3+])cc1 238559692 572818484 /nfs/dbraw/zinc/81/84/84/572818484.db2.gz YGPZGCXTTQJYDO-UHFFFAOYSA-N 1 0 194.278 1.777 10 10 ADCERO C[N@@H+]1CC[C@@H](N)[C@@H]1c1ccccc1O 75120463 572822732 /nfs/dbraw/zinc/82/27/32/572822732.db2.gz CGNVQOHCXXCWSV-KOLCDFICSA-N 1 0 192.262 1.096 10 10 ADCERO C[C@@H]1C[C@]1(C[NH3+])c1ccc(O)c(O)c1 75120863 572821577 /nfs/dbraw/zinc/82/15/77/572821577.db2.gz AJXKSOMNWZVVIJ-RDDDGLTNSA-N 1 0 193.246 1.334 10 10 ADCERO Cc1ccc(C)c(C[NH3+])c1O 71462799 572821809 /nfs/dbraw/zinc/82/18/09/572821809.db2.gz IBUOARHOQXTKIT-UHFFFAOYSA-N 1 0 151.209 1.468 10 10 ADCERO C[N@@H+]1CC[C@H](N)[C@@H]1c1ccccc1O 75120461 572822197 /nfs/dbraw/zinc/82/21/97/572822197.db2.gz CGNVQOHCXXCWSV-ONGXEEELSA-N 1 0 192.262 1.096 10 10 ADCERO Cc1cc(O)c(C[NH3+])cc1Cl 71454589 572822358 /nfs/dbraw/zinc/82/23/58/572822358.db2.gz DEPBDHUIQUVSNT-UHFFFAOYSA-N 1 0 171.627 1.813 10 10 ADCERO CCOc1ccc(O)c(C[NH3+])c1 71455092 572822521 /nfs/dbraw/zinc/82/25/21/572822521.db2.gz UILWEAPSEJXJDG-UHFFFAOYSA-N 1 0 167.208 1.250 10 10 ADCERO CCOc1ccc(O)c([C@@H](C)[NH3+])c1 71455093 572822648 /nfs/dbraw/zinc/82/26/48/572822648.db2.gz HNYSSVDZOUGKEU-SSDOTTSWSA-N 1 0 181.235 1.811 10 10 ADCERO C[C@@H]1C[C@@]1(C[NH3+])c1ccc(O)c(O)c1 75120857 572823450 /nfs/dbraw/zinc/82/34/50/572823450.db2.gz AJXKSOMNWZVVIJ-HQJQHLMTSA-N 1 0 193.246 1.334 10 10 ADCERO C[C@H]1C[C@@]1(C[NH3+])c1ccc(O)c(O)c1 75120859 572823958 /nfs/dbraw/zinc/82/39/58/572823958.db2.gz AJXKSOMNWZVVIJ-CPCISQLKSA-N 1 0 193.246 1.334 10 10 ADCERO C[C@H]1C[C@]1(C[NH3+])c1ccc(O)c(O)c1 75120867 572823970 /nfs/dbraw/zinc/82/39/70/572823970.db2.gz AJXKSOMNWZVVIJ-WRWORJQWSA-N 1 0 193.246 1.334 10 10 ADCERO Cc1cc(C)c(O)c(C[NH3+])c1 71463555 572824023 /nfs/dbraw/zinc/82/40/23/572824023.db2.gz KJTSIUBJVRETHI-UHFFFAOYSA-N 1 0 151.209 1.468 10 10 ADCERO CN1CCCNc2cc(O)c(O)cc21 75121491 572824169 /nfs/dbraw/zinc/82/41/69/572824169.db2.gz LPMKANUERSJHJI-UHFFFAOYSA-N 1 0 194.234 1.350 10 10 ADCERO [NH3+][C@H]1COc2c(F)cc(F)c([O-])c21 713760796 572827313 /nfs/dbraw/zinc/82/73/13/572827313.db2.gz HYHVGDMPXHICCG-YFKPBYRVSA-N 1 0 187.145 1.063 10 10 ADCERO [NH3+][C@@H]1COc2c(F)cc(F)c([O-])c21 713760795 572828259 /nfs/dbraw/zinc/82/82/59/572828259.db2.gz HYHVGDMPXHICCG-RXMQYKEDSA-N 1 0 187.145 1.063 10 10 ADCERO CC1(C)C[NH2+]Cc2cc(O)c(O)cc21 71485104 572828949 /nfs/dbraw/zinc/82/89/49/572828949.db2.gz BXUAVJGYDLCQLN-UHFFFAOYSA-N 1 0 193.246 1.479 10 10 ADCERO N#[N+]CC(=O)Cc1c[nH]c2ccccc12 238585376 572833691 /nfs/dbraw/zinc/83/36/91/572833691.db2.gz JJQVEQIHZOKBRC-UHFFFAOYSA-N 1 0 199.213 1.580 10 10 ADCERO N#[N+]CC(=O)Cn1ccc2ccccc21 238588520 572853347 /nfs/dbraw/zinc/85/33/47/572853347.db2.gz GCVBRCRXCYCHAD-UHFFFAOYSA-N 1 0 199.213 1.511 10 10 ADCERO CCCc1cc(C[NH3+])c(O)cc1OC 75598078 572876900 /nfs/dbraw/zinc/87/69/00/572876900.db2.gz HCTHJPCIOZGGHZ-UHFFFAOYSA-N 1 0 195.262 1.812 10 10 ADCERO CCc1cc(C2([NH3+])CC2)c(O)cc1O 214730549 572880878 /nfs/dbraw/zinc/88/08/78/572880878.db2.gz YJSGTBMJVFTKSV-UHFFFAOYSA-N 1 0 193.246 1.608 10 10 ADCERO CCOc1cccc(O)c1C1([NH3+])CC1 214728176 572881614 /nfs/dbraw/zinc/88/16/14/572881614.db2.gz VJEPROJMFSVUMW-UHFFFAOYSA-N 1 0 193.246 1.739 10 10 ADCERO Cc1cc([C@H]2CCC[NH2+]2)c(O)cc1O 214729841 572881628 /nfs/dbraw/zinc/88/16/28/572881628.db2.gz NBJDEUXDUOQPGB-SECBINFHSA-N 1 0 193.246 1.831 10 10 ADCERO COc1ccc(C2([NH3+])CC2)c(O)c1C 214728413 572881727 /nfs/dbraw/zinc/88/17/27/572881727.db2.gz QSUZNCFGYBDXCK-UHFFFAOYSA-N 1 0 193.246 1.657 10 10 ADCERO COc1c(C)ccc(C2([NH3+])CC2)c1O 214728106 572882016 /nfs/dbraw/zinc/88/20/16/572882016.db2.gz ZOAKIBYDOMNEPK-UHFFFAOYSA-N 1 0 193.246 1.657 10 10 ADCERO COc1cc(O)c(C2([NH3+])CC2)cc1C 214728336 572882224 /nfs/dbraw/zinc/88/22/24/572882224.db2.gz FKSIEABLSWYALF-UHFFFAOYSA-N 1 0 193.246 1.657 10 10 ADCERO COc1cc(C)cc(C2([NH3+])CC2)c1O 214728488 572883374 /nfs/dbraw/zinc/88/33/74/572883374.db2.gz RGKXQINHBPUIEL-UHFFFAOYSA-N 1 0 193.246 1.657 10 10 ADCERO Cc1cc([C@@H]2CCC[NH2+]2)c(O)cc1O 214729796 572883509 /nfs/dbraw/zinc/88/35/09/572883509.db2.gz NBJDEUXDUOQPGB-VIFPVBQESA-N 1 0 193.246 1.831 10 10 ADCERO COc1cc(C)c(O)c(C2([NH3+])CC2)c1 214728265 572883781 /nfs/dbraw/zinc/88/37/81/572883781.db2.gz TXNYQYJWPARRQM-UHFFFAOYSA-N 1 0 193.246 1.657 10 10 ADCERO C[NH2+]C/C=C/c1ccc(N(C)C)cc1 86227672 572892865 /nfs/dbraw/zinc/89/28/65/572892865.db2.gz HVYWWZJDOXODDZ-SNAWJCMRSA-N 1 0 190.290 1.985 10 10 ADCERO Cc1cc(C)c(O)c(C[NH2+]CCN)c1 75597022 572893427 /nfs/dbraw/zinc/89/34/27/572893427.db2.gz GLRHIOMUBZHODV-UHFFFAOYSA-N 1 0 194.278 1.057 10 10 ADCERO [NH3+]Cc1c([O-])cc(F)c(F)c1F 75926759 572921277 /nfs/dbraw/zinc/92/12/77/572921277.db2.gz WLWVVAPDZCPYLF-UHFFFAOYSA-N 1 0 177.125 1.268 10 10 ADCERO CC[C@@H](C)N1C(N)=[NH+]C[C@H]1CN=[N+]=[N-] 86474446 572943369 /nfs/dbraw/zinc/94/33/69/572943369.db2.gz WCMPXNZCSTWNFX-RQJHMYQMSA-N 1 0 196.258 1.094 10 10 ADCERO CC[C@H](C)N1C(N)=[NH+]C[C@H]1CN=[N+]=[N-] 86474447 572943470 /nfs/dbraw/zinc/94/34/70/572943470.db2.gz WCMPXNZCSTWNFX-BQBZGAKWSA-N 1 0 196.258 1.094 10 10 ADCERO CC[C@@H](C)N1C(N)=[NH+]C[C@@H]1CN=[N+]=[N-] 86474448 572944319 /nfs/dbraw/zinc/94/43/19/572944319.db2.gz WCMPXNZCSTWNFX-RNFRBKRXSA-N 1 0 196.258 1.094 10 10 ADCERO CC[C@H](C)N1C(N)=[NH+]C[C@@H]1CN=[N+]=[N-] 86474449 572944922 /nfs/dbraw/zinc/94/49/22/572944922.db2.gz WCMPXNZCSTWNFX-NKWVEPMBSA-N 1 0 196.258 1.094 10 10 ADCERO CN(C)c1ccc([C@H]2[NH2+]CCO2)cc1 58492013 572952893 /nfs/dbraw/zinc/95/28/93/572952893.db2.gz WCOYQVTWQGYNBO-NSHDSACASA-N 1 0 192.262 1.371 10 10 ADCERO CN(C)c1ccc([C@@H]2[NH2+]CCO2)cc1 58492010 572953169 /nfs/dbraw/zinc/95/31/69/572953169.db2.gz WCOYQVTWQGYNBO-LLVKDONJSA-N 1 0 192.262 1.371 10 10 ADCERO CCn1ccnc1/C=C/CC[NH2+]C 86571221 572955151 /nfs/dbraw/zinc/95/51/51/572955151.db2.gz UGWVNLSCBPEMCX-GQCTYLIASA-N 1 0 179.267 1.526 10 10 ADCERO CCCn1ccnc1/C=C/CC[NH2+]C 86571043 572955499 /nfs/dbraw/zinc/95/54/99/572955499.db2.gz WIJBNISJDWGZCC-GQCTYLIASA-N 1 0 193.294 1.916 10 10 ADCERO C[NH2+]CC/C=C/c1nccn1C 86571193 572955512 /nfs/dbraw/zinc/95/55/12/572955512.db2.gz PVUSAJGMYNCDKT-HWKANZROSA-N 1 0 165.240 1.043 10 10 ADCERO CCn1ccnc1/C=C/CC[NH3+] 86571008 572956517 /nfs/dbraw/zinc/95/65/17/572956517.db2.gz PPNYKKSDFATDHR-HWKANZROSA-N 1 0 165.240 1.265 10 10 ADCERO CCCn1ccnc1/C=C/CC[NH3+] 86570852 572956335 /nfs/dbraw/zinc/95/63/35/572956335.db2.gz YPIVXNAHMSSTIC-HWKANZROSA-N 1 0 179.267 1.655 10 10 ADCERO CCn1ccnc1/C(C)=C/CC[NH3+] 86570822 572956361 /nfs/dbraw/zinc/95/63/61/572956361.db2.gz GVODDADCYKFHOL-WEVVVXLNSA-N 1 0 179.267 1.655 10 10 ADCERO Cn1ccnc1/C=C/CC[NH2+]C1CC1 86571900 572956816 /nfs/dbraw/zinc/95/68/16/572956816.db2.gz QAWGDESOVGEJAI-DUXPYHPUSA-N 1 0 191.278 1.575 10 10 ADCERO CC[NH2+]CC/C=C(/C)c1nccn1C 86572584 572956908 /nfs/dbraw/zinc/95/69/08/572956908.db2.gz FZGGFIWHHUNNQQ-POHAHGRESA-N 1 0 193.294 1.823 10 10 ADCERO CC[NH2+]CC/C=C/c1nccn1C 86571407 572956940 /nfs/dbraw/zinc/95/69/40/572956940.db2.gz HINKBMKGXCQQRP-GQCTYLIASA-N 1 0 179.267 1.433 10 10 ADCERO CCC[NH2+]CC/C=C/c1nccn1C 86571585 572956977 /nfs/dbraw/zinc/95/69/77/572956977.db2.gz NQSQWMOTGMONLY-GQCTYLIASA-N 1 0 193.294 1.823 10 10 ADCERO C[NH2+]CC/C=C(/C)c1nccn1C 86572404 572957269 /nfs/dbraw/zinc/95/72/69/572957269.db2.gz PLBSYDLNOOBFBU-UITAMQMPSA-N 1 0 179.267 1.433 10 10 ADCERO CC[NH2+]CC/C=C/c1nccn1CC 86571432 572957446 /nfs/dbraw/zinc/95/74/46/572957446.db2.gz QGQBDTKRXVTBFV-FNORWQNLSA-N 1 0 193.294 1.916 10 10 ADCERO CCn1ccnc1/C(C)=C/CC[NH2+]C 86572429 572957785 /nfs/dbraw/zinc/95/77/85/572957785.db2.gz PNOANCIZSZRMDN-UXBLZVDNSA-N 1 0 193.294 1.916 10 10 ADCERO CC(C)[NH2+]CC/C=C/c1nccn1C 86571744 572957851 /nfs/dbraw/zinc/95/78/51/572957851.db2.gz BTNGHDUYZJQPEO-GQCTYLIASA-N 1 0 193.294 1.821 10 10 ADCERO N#[N+]Cc1cccc([N+](=O)[O-])c1 196722243 572961415 /nfs/dbraw/zinc/96/14/15/572961415.db2.gz OXEBRWPMXQZTFF-UHFFFAOYSA-N 1 0 163.136 1.244 10 10 ADCERO CC(C)c1nc(CSCC[NH3+])c[nH]1 238180383 572970445 /nfs/dbraw/zinc/97/04/45/572970445.db2.gz DUUKVIBVVGUIEW-UHFFFAOYSA-N 1 0 199.323 1.725 10 10 ADCERO C[N@@H+]1CC[C@@H](Oc2ccc(N)cc2)C1 113279388 572993864 /nfs/dbraw/zinc/99/38/64/572993864.db2.gz ICTGXNILNPWNLH-LLVKDONJSA-N 1 0 192.262 1.352 10 10 ADCERO [NH3+]CCCCc1ccc(O)c(O)c1F 258205826 572994018 /nfs/dbraw/zinc/99/40/18/572994018.db2.gz SXEXESKLJPFKIV-UHFFFAOYSA-N 1 0 199.225 1.518 10 10 ADCERO COc1cc([C@@H](C)[NH3+])c(O)cc1C 104524647 572994756 /nfs/dbraw/zinc/99/47/56/572994756.db2.gz JHZBQOOYHYZWBZ-SSDOTTSWSA-N 1 0 181.235 1.729 10 10 ADCERO C[NH2+][C@H](C)c1c(O)cc(O)cc1O 104524581 572995229 /nfs/dbraw/zinc/99/52/29/572995229.db2.gz VCTCPXAEGJSAAN-RXMQYKEDSA-N 1 0 183.207 1.084 10 10 ADCERO CC(C)([NH3+])c1cc(O)c(F)cc1O 258207553 572995310 /nfs/dbraw/zinc/99/53/10/572995310.db2.gz ZBOPBLZBDZGYGW-UHFFFAOYSA-N 1 0 185.198 1.431 10 10 ADCERO Cc1cc([C@@H](C)[NH3+])c([O-])c([N+](=O)[O-])c1 104525676 572995900 /nfs/dbraw/zinc/99/59/00/572995900.db2.gz IZPGGAWVFLWEAL-ZCFIWIBFSA-N 1 0 196.206 1.629 10 10 ADCERO COc1cc(C)c(O)c([C@@H](C)[NH3+])c1 104524651 572995983 /nfs/dbraw/zinc/99/59/83/572995983.db2.gz WYCMMBBHWMKUJE-SSDOTTSWSA-N 1 0 181.235 1.729 10 10 ADCERO C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] 104526057 572996729 /nfs/dbraw/zinc/99/67/29/572996729.db2.gz LCQDXAXPRAWXBE-RXMQYKEDSA-N 1 0 187.189 1.951 10 10 ADCERO Cc1cc(N)c(O)c([C@@H](C)[NH3+])c1 104528874 572997522 /nfs/dbraw/zinc/99/75/22/572997522.db2.gz UPDLDAYOSLAUIZ-ZCFIWIBFSA-N 1 0 166.224 1.303 10 10 ADCERO COc1cc(C)cc([C@@H](C)[NH3+])c1O 104525148 572997650 /nfs/dbraw/zinc/99/76/50/572997650.db2.gz IKCMBRFDBLPGQQ-SSDOTTSWSA-N 1 0 181.235 1.729 10 10 ADCERO [O-]c1cccc(F)c1[C@@H]1CC[NH2+]1 104526278 572998066 /nfs/dbraw/zinc/99/80/66/572998066.db2.gz KVMKRDVQZWJCOQ-ZETCQYMHSA-N 1 0 167.183 1.566 10 10 ADCERO C[NH2+][C@H](C)c1cc(O)c(O)cc1O 104524576 572998153 /nfs/dbraw/zinc/99/81/53/572998153.db2.gz WLHKDKVWINRXMB-RXMQYKEDSA-N 1 0 183.207 1.084 10 10 ADCERO Cc1cc2c(c([C@H](C)[NH3+])c1O)CCO2 258209646 572999350 /nfs/dbraw/zinc/99/93/50/572999350.db2.gz ZDOIHRMRXVYQIM-ZETCQYMHSA-N 1 0 193.246 1.655 10 10 ADCERO C[N@@H+]1CC[C@H](Oc2ccc(N)cc2)C1 113279386 572999526 /nfs/dbraw/zinc/99/95/26/572999526.db2.gz ICTGXNILNPWNLH-NSHDSACASA-N 1 0 192.262 1.352 10 10 ADCERO Cc1cc2c(c([C@@H](C)[NH3+])c1O)CCO2 258209642 573000428 /nfs/dbraw/zinc/00/04/28/573000428.db2.gz ZDOIHRMRXVYQIM-SSDOTTSWSA-N 1 0 193.246 1.655 10 10 ADCERO CC(C)([NH3+])Cc1c(F)ccc(O)c1O 258215788 573003954 /nfs/dbraw/zinc/00/39/54/573003954.db2.gz UNRBFLNORLDIDW-UHFFFAOYSA-N 1 0 199.225 1.517 10 10 ADCERO COc1ccc(O)c(C2([NH3+])CCC2)c1 258214182 573008208 /nfs/dbraw/zinc/00/82/08/573008208.db2.gz ZPRPJONBCXMARQ-UHFFFAOYSA-N 1 0 193.246 1.739 10 10 ADCERO CSC[C@@H]([NH3+])c1ccccc1O 258219353 573009557 /nfs/dbraw/zinc/00/95/57/573009557.db2.gz QQSUAHZNQXASLS-MRVPVSSYSA-N 1 0 183.276 1.755 10 10 ADCERO CSC[C@H]([NH3+])c1ccccc1O 258219354 573010266 /nfs/dbraw/zinc/01/02/66/573010266.db2.gz QQSUAHZNQXASLS-QMMMGPOBSA-N 1 0 183.276 1.755 10 10 ADCERO COc1ccc(N(C)C2C[NH2+]C2)cc1 82373072 573013186 /nfs/dbraw/zinc/01/31/86/573013186.db2.gz UWZGBFDVYRKMDT-UHFFFAOYSA-N 1 0 192.262 1.103 10 10 ADCERO Oc1ccc(C[NH+]2CCCC2)c(O)c1 258225561 573015178 /nfs/dbraw/zinc/01/51/78/573015178.db2.gz XYICPDSWCLKATC-UHFFFAOYSA-N 1 0 193.246 1.694 10 10 ADCERO CCN1CC[NH2+]Cc2c(O)cccc21 259595637 573020058 /nfs/dbraw/zinc/02/00/58/573020058.db2.gz CWVRAGKPDLMEQE-UHFFFAOYSA-N 1 0 192.262 1.322 10 10 ADCERO Cc1cc(O)c([C@@H]2CC[NH2+]2)c(O)c1 104575621 573022880 /nfs/dbraw/zinc/02/28/80/573022880.db2.gz AMZKNZBMXWWAAI-ZETCQYMHSA-N 1 0 179.219 1.441 10 10 ADCERO C[NH2+]Cc1cc(NC(C)=O)ccc1O 113681117 573024264 /nfs/dbraw/zinc/02/42/64/573024264.db2.gz ZOWBXHNSQWVFFG-UHFFFAOYSA-N 1 0 194.234 1.070 10 10 ADCERO Cc1cc(O)c([C@H](C)[NH3+])c(O)c1 104575600 573025451 /nfs/dbraw/zinc/02/54/51/573025451.db2.gz XOSVDOFCWUOWTL-LURJTMIESA-N 1 0 167.208 1.426 10 10 ADCERO Cc1cc(O)c([C@H]2CC[NH2+]2)c(O)c1 104575624 573025926 /nfs/dbraw/zinc/02/59/26/573025926.db2.gz AMZKNZBMXWWAAI-SSDOTTSWSA-N 1 0 179.219 1.441 10 10 ADCERO Cc1c(F)ccc(O)c1[C@H](C)[NH3+] 104574941 573026578 /nfs/dbraw/zinc/02/65/78/573026578.db2.gz DATFJBJCOMKBPY-LURJTMIESA-N 1 0 169.199 1.859 10 10 ADCERO CC[C@@H]([NH3+])c1c(O)cc(C)cc1O 104575607 573026605 /nfs/dbraw/zinc/02/66/05/573026605.db2.gz QJYPXOIDFNLGNZ-SSDOTTSWSA-N 1 0 181.235 1.816 10 10 ADCERO CCC[C@@H]([NH3+])c1cc(N)ccc1O 104581253 573034490 /nfs/dbraw/zinc/03/44/90/573034490.db2.gz ROZLVVBTOQBUDD-SECBINFHSA-N 1 0 180.251 1.774 10 10 ADCERO Nc1ccc(O)c([C@@H]2CC[NH2+]2)c1 104581938 573034529 /nfs/dbraw/zinc/03/45/29/573034529.db2.gz NAJVOCNNJPVTOB-QMMMGPOBSA-N 1 0 164.208 1.009 10 10 ADCERO CCC[C@H]([NH3+])c1cccc(N)c1O 238248985 573034615 /nfs/dbraw/zinc/03/46/15/573034615.db2.gz HJHTWYXLZDKXEN-QMMMGPOBSA-N 1 0 180.251 1.774 10 10 ADCERO Nc1ccc(O)c([C@H]2CCC[NH2+]2)c1 104581931 573035342 /nfs/dbraw/zinc/03/53/42/573035342.db2.gz GUIIDYATABWQLC-SECBINFHSA-N 1 0 178.235 1.399 10 10 ADCERO Nc1ccc(O)c([C@H]([NH3+])C2CC2)c1 104581258 573035512 /nfs/dbraw/zinc/03/55/12/573035512.db2.gz XTAMDWCIMOITIW-SNVBAGLBSA-N 1 0 178.235 1.384 10 10 ADCERO CC(C)[C@@H]([NH3+])c1cc(N)ccc1O 104581246 573035565 /nfs/dbraw/zinc/03/55/65/573035565.db2.gz WTJAUNMVMBQONX-SNVBAGLBSA-N 1 0 180.251 1.630 10 10 ADCERO CC[C@H]([NH3+])c1cc(N)ccc1O 104581239 573035684 /nfs/dbraw/zinc/03/56/84/573035684.db2.gz SMEVZAJYTNFOCT-QMMMGPOBSA-N 1 0 166.224 1.384 10 10 ADCERO Nc1ccc(O)c([C@@H]([NH3+])C2CC2)c1 104581262 573035779 /nfs/dbraw/zinc/03/57/79/573035779.db2.gz XTAMDWCIMOITIW-JTQLQIEISA-N 1 0 178.235 1.384 10 10 ADCERO Nc1ccc(O)c([C@H]2CC[NH2+]2)c1 104581941 573035818 /nfs/dbraw/zinc/03/58/18/573035818.db2.gz NAJVOCNNJPVTOB-MRVPVSSYSA-N 1 0 164.208 1.009 10 10 ADCERO Nc1ccc(O)c([C@@H]2CCC[NH2+]2)c1 104581926 573035945 /nfs/dbraw/zinc/03/59/45/573035945.db2.gz GUIIDYATABWQLC-VIFPVBQESA-N 1 0 178.235 1.399 10 10 ADCERO CC(C)[C@H]([NH3+])c1cc(N)ccc1O 104581243 573036063 /nfs/dbraw/zinc/03/60/63/573036063.db2.gz WTJAUNMVMBQONX-JTQLQIEISA-N 1 0 180.251 1.630 10 10 ADCERO CCC[C@H]([NH3+])c1cc(N)ccc1O 104581251 573036153 /nfs/dbraw/zinc/03/61/53/573036153.db2.gz ROZLVVBTOQBUDD-VIFPVBQESA-N 1 0 180.251 1.774 10 10 ADCERO CC[C@@H]([NH3+])c1cc(N)ccc1O 104581241 573036314 /nfs/dbraw/zinc/03/63/14/573036314.db2.gz SMEVZAJYTNFOCT-MRVPVSSYSA-N 1 0 166.224 1.384 10 10 ADCERO CC(C)[NH2+]Cc1cc(N)ccc1O 113868509 573039124 /nfs/dbraw/zinc/03/91/24/573039124.db2.gz MHKCKFXELRFGOH-UHFFFAOYSA-N 1 0 180.251 1.472 10 10 ADCERO Oc1ccccc1C12CC(CC[NH2+]1)C2 257928367 573044327 /nfs/dbraw/zinc/04/43/27/573044327.db2.gz JUYXUSLUODNXIR-UHFFFAOYSA-N 1 0 189.258 1.991 10 10 ADCERO C[C@@H]([NH3+])c1ccc2c(c1O)CCC2 257936962 573052838 /nfs/dbraw/zinc/05/28/38/573052838.db2.gz COQPODLUBLWESI-SSDOTTSWSA-N 1 0 177.247 1.901 10 10 ADCERO C[C@H]([NH3+])c1ccc2c(c1O)CCC2 257936965 573053916 /nfs/dbraw/zinc/05/39/16/573053916.db2.gz COQPODLUBLWESI-ZETCQYMHSA-N 1 0 177.247 1.901 10 10 ADCERO Cc1ccc(C(C)(C)[NH3+])c(O)c1O 257938089 573055355 /nfs/dbraw/zinc/05/53/55/573055355.db2.gz CPQALJDOVKNESH-UHFFFAOYSA-N 1 0 181.235 1.600 10 10 ADCERO CC[NH2+]Cc1c(O)cccc1OC 308241215 573057017 /nfs/dbraw/zinc/05/70/17/573057017.db2.gz SUEAGEQZQBXKLN-UHFFFAOYSA-N 1 0 181.235 1.510 10 10 ADCERO CC[NH2+]Cc1cc(O)c(O)cc1C 238262938 573060386 /nfs/dbraw/zinc/06/03/86/573060386.db2.gz YQFMEGZQKDRGBV-UHFFFAOYSA-N 1 0 181.235 1.516 10 10 ADCERO Oc1cc2c(cc1O)C1(CC1)[NH2+]C2 257939605 573066779 /nfs/dbraw/zinc/06/67/79/573066779.db2.gz UTEOBLVHPFRVKF-UHFFFAOYSA-N 1 0 177.203 1.190 10 10 ADCERO C[C@@H](C[NH3+])c1cccc(O)c1O 114275520 573068842 /nfs/dbraw/zinc/06/88/42/573068842.db2.gz SUQTUQIJLDLCFV-LURJTMIESA-N 1 0 167.208 1.160 10 10 ADCERO CC[C@@H]([NH3+])c1c(N)ccc(OC)c1O 238268817 573071693 /nfs/dbraw/zinc/07/16/93/573071693.db2.gz QUCXIMVFDIKTRJ-ZCFIWIBFSA-N 1 0 196.250 1.393 10 10 ADCERO CC[C@@H]([NH3+])c1c(O)cc(O)cc1F 238269144 573073537 /nfs/dbraw/zinc/07/35/37/573073537.db2.gz OAZKTGTUBYRDTR-SSDOTTSWSA-N 1 0 185.198 1.647 10 10 ADCERO CC[C@@H]([NH3+])c1c(O)cc(N)cc1F 238269124 573074058 /nfs/dbraw/zinc/07/40/58/573074058.db2.gz LMMCWZMCHSNCPS-SSDOTTSWSA-N 1 0 184.214 1.523 10 10 ADCERO CC[C@@H]([NH3+])c1c(N)ccc(F)c1O 238268798 573074296 /nfs/dbraw/zinc/07/42/96/573074296.db2.gz GKGCMHPVDXHZJB-ZCFIWIBFSA-N 1 0 184.214 1.523 10 10 ADCERO CC[C@@H]([NH3+])c1c(O)ccc(O)c1N 238268764 573074619 /nfs/dbraw/zinc/07/46/19/573074619.db2.gz YQZMZXXWUBJKMU-RXMQYKEDSA-N 1 0 182.223 1.090 10 10 ADCERO CC[C@@H]([NH3+])c1c(O)ccc(O)c1O 238269208 573076084 /nfs/dbraw/zinc/07/60/84/573076084.db2.gz JOWYCSXMRNIOTP-RXMQYKEDSA-N 1 0 183.207 1.213 10 10 ADCERO CC[C@@H]([NH3+])c1c(O)ccc(OC)c1O 238269218 573077414 /nfs/dbraw/zinc/07/74/14/573077414.db2.gz ZWQLYSGKYZTHAH-ZCFIWIBFSA-N 1 0 197.234 1.516 10 10 ADCERO CC[C@@H]([NH3+])c1c(O)cccc1O 238269277 573080626 /nfs/dbraw/zinc/08/06/26/573080626.db2.gz VYVUZEHIAQKRPO-ZCFIWIBFSA-N 1 0 167.208 1.508 10 10 ADCERO CC[C@@H]([NH3+])c1c(O)cccc1CO 238269257 573080987 /nfs/dbraw/zinc/08/09/87/573080987.db2.gz XERCHKZGKJVBQC-MRVPVSSYSA-N 1 0 181.235 1.294 10 10 ADCERO CC[C@@H]([NH3+])c1cc(C)cc(O)c1O 238271949 573082797 /nfs/dbraw/zinc/08/27/97/573082797.db2.gz SGUVCBUCZUMCPD-MRVPVSSYSA-N 1 0 181.235 1.816 10 10 ADCERO CCc1cc(N)c(O)c([C@H]([NH3+])CC)c1 238272489 573082323 /nfs/dbraw/zinc/08/23/23/573082323.db2.gz OHCJFRQYEVCYBN-SECBINFHSA-N 1 0 194.278 1.947 10 10 ADCERO CCOc1cc([C@@H](C)[NH3+])cc(O)c1O 238271698 573082821 /nfs/dbraw/zinc/08/28/21/573082821.db2.gz LDOBADVHXGSPCO-ZCFIWIBFSA-N 1 0 197.234 1.516 10 10 ADCERO CCOc1cc(O)c2c(c1)CC[C@H]2[NH3+] 238271701 573083618 /nfs/dbraw/zinc/08/36/18/573083618.db2.gz PYJIOIUDMOJXFS-SECBINFHSA-N 1 0 193.246 1.737 10 10 ADCERO CCOc1cc(O)c2c(c1)CC[C@@H]2[NH3+] 238271660 573083219 /nfs/dbraw/zinc/08/32/19/573083219.db2.gz PYJIOIUDMOJXFS-VIFPVBQESA-N 1 0 193.246 1.737 10 10 ADCERO CCOc1cc(O)c2c(c1)OC[C@@H]2[NH3+] 238271671 573085410 /nfs/dbraw/zinc/08/54/10/573085410.db2.gz LHCAGVWTKHIRAC-ZETCQYMHSA-N 1 0 195.218 1.183 10 10 ADCERO C[C@@H]([NH3+])c1cc(N(C)C)ccc1O 257942335 573086652 /nfs/dbraw/zinc/08/66/52/573086652.db2.gz DHRVLSJGYSDHGT-SSDOTTSWSA-N 1 0 180.251 1.478 10 10 ADCERO CC(C)([NH3+])COc1ccc(N)cc1 114566852 573086879 /nfs/dbraw/zinc/08/68/79/573086879.db2.gz YUTMEBRYSJBVKF-UHFFFAOYSA-N 1 0 180.251 1.385 10 10 ADCERO CCOc1cc(O)c2c(c1)OC[C@H]2[NH3+] 238271707 573086940 /nfs/dbraw/zinc/08/69/40/573086940.db2.gz LHCAGVWTKHIRAC-SSDOTTSWSA-N 1 0 195.218 1.183 10 10 ADCERO CC[C@@H]([NH3+])c1cc(C)cc(N)c1O 238271925 573087150 /nfs/dbraw/zinc/08/71/50/573087150.db2.gz WQXVIBAEUAZOMB-MRVPVSSYSA-N 1 0 180.251 1.693 10 10 ADCERO Cc1cc(O)c(C2([NH3+])CC2)cc1O 257942370 573087504 /nfs/dbraw/zinc/08/75/04/573087504.db2.gz DITQTJSKWIUNJK-UHFFFAOYSA-N 1 0 179.219 1.354 10 10 ADCERO CC[C@@H]([NH3+])c1cc(N)c(O)c(O)c1 238275588 573088519 /nfs/dbraw/zinc/08/85/19/573088519.db2.gz KITYTHKYANNFOX-ZCFIWIBFSA-N 1 0 182.223 1.090 10 10 ADCERO CC[C@@H]([NH3+])c1cc(N)c(C)cc1O 238275234 573089024 /nfs/dbraw/zinc/08/90/24/573089024.db2.gz TVJSSIOTLZFKDJ-MRVPVSSYSA-N 1 0 180.251 1.693 10 10 ADCERO CC[C@@H]([NH3+])c1cc(N)cc(OC)c1O 238275731 573091971 /nfs/dbraw/zinc/09/19/71/573091971.db2.gz BPLXBOILRXYEHB-MRVPVSSYSA-N 1 0 196.250 1.393 10 10 ADCERO CC[C@@H]([NH3+])c1cc(N)cc(C)c1O 238275664 573093654 /nfs/dbraw/zinc/09/36/54/573093654.db2.gz OIJMGEWIUORNDH-SECBINFHSA-N 1 0 180.251 1.693 10 10 ADCERO CC[C@@H]([NH3+])c1cc(O)cc(OC)c1O 238276345 573094943 /nfs/dbraw/zinc/09/49/43/573094943.db2.gz JVEWRKRYXDFCFC-MRVPVSSYSA-N 1 0 197.234 1.516 10 10 ADCERO CC[C@@H]([NH3+])C1=CC(=O)CS1 238276498 573095147 /nfs/dbraw/zinc/09/51/47/573095147.db2.gz PMKWIJSQHNOEOL-ZCFIWIBFSA-N 1 0 157.238 1.864 10 10 ADCERO CC[C@@H]([NH3+])c1cc(O)cc(C)c1O 238276302 573095179 /nfs/dbraw/zinc/09/51/79/573095179.db2.gz AGXQITLABNVFTO-SECBINFHSA-N 1 0 181.235 1.816 10 10 ADCERO CC[C@@H]([NH3+])c1cc(OC)c(O)cc1O 238276665 573095983 /nfs/dbraw/zinc/09/59/83/573095983.db2.gz JXYSVZCNTNDCCM-SSDOTTSWSA-N 1 0 197.234 1.516 10 10 ADCERO [NH3+]C1(c2cc(O)ccc2O)CCCC1 257943701 573098591 /nfs/dbraw/zinc/09/85/91/573098591.db2.gz AEWRNMBXWZWBQV-UHFFFAOYSA-N 1 0 193.246 1.826 10 10 ADCERO CC[C@@H]([NH3+])c1cc(OC)cc(O)c1O 238276763 573098746 /nfs/dbraw/zinc/09/87/46/573098746.db2.gz JDJYMFCBMMSGAA-MRVPVSSYSA-N 1 0 197.234 1.516 10 10 ADCERO CC[C@@H]([NH3+])c1cc(O)c(O)c(OC)c1 238276166 573099032 /nfs/dbraw/zinc/09/90/32/573099032.db2.gz ZPCSQJAWWCMRPT-SSDOTTSWSA-N 1 0 197.234 1.516 10 10 ADCERO CC[C@@H]([NH3+])c1ccc(F)c(O)c1O 238279350 573099978 /nfs/dbraw/zinc/09/99/78/573099978.db2.gz IEFHQDGGZQRNTC-SSDOTTSWSA-N 1 0 185.198 1.647 10 10 ADCERO CC[C@@H]([NH3+])c1ccc(N)cc1O 238280365 573106744 /nfs/dbraw/zinc/10/67/44/573106744.db2.gz YAQUUICELQFSSN-MRVPVSSYSA-N 1 0 166.224 1.384 10 10 ADCERO CCOc1ccc(O)c(C2([NH3+])CC2)c1 238279387 573107931 /nfs/dbraw/zinc/10/79/31/573107931.db2.gz ALSUIYFUWPELHD-UHFFFAOYSA-N 1 0 193.246 1.739 10 10 ADCERO Nc1ccc(C[NH2+]C2CCC2)c(O)c1 258232583 573109727 /nfs/dbraw/zinc/10/97/27/573109727.db2.gz YSLLDTLPEXGKJQ-UHFFFAOYSA-N 1 0 192.262 1.617 10 10 ADCERO C[C@H]1Nc2c(N)cccc2C[NH2+][C@@H]1C 143973405 573109797 /nfs/dbraw/zinc/10/97/97/573109797.db2.gz HBCQOPCEEZENQF-HTQZYQBOSA-N 1 0 191.278 1.561 10 10 ADCERO C[C@@H]1[NH2+]Cc2cccc(N)c2N[C@@H]1C 143973205 573110956 /nfs/dbraw/zinc/11/09/56/573110956.db2.gz HBCQOPCEEZENQF-JGVFFNPUSA-N 1 0 191.278 1.561 10 10 ADCERO CCOc1ccc2c(c1O)[C@H]([NH3+])CC2 238286800 573111740 /nfs/dbraw/zinc/11/17/40/573111740.db2.gz XUYRAOXLCYESHD-MRVPVSSYSA-N 1 0 193.246 1.737 10 10 ADCERO CCOc1ccc2c(c1O)[C@@H]([NH3+])CC2 238286883 573111973 /nfs/dbraw/zinc/11/19/73/573111973.db2.gz XUYRAOXLCYESHD-QMMMGPOBSA-N 1 0 193.246 1.737 10 10 ADCERO CC[C@@H]([NH3+])C1=CSCC1=O 238286889 573112910 /nfs/dbraw/zinc/11/29/10/573112910.db2.gz DNGDSQPIAIVCSI-ZCFIWIBFSA-N 1 0 157.238 1.864 10 10 ADCERO C[n+]1ccn(C(=O)c2ccccc2)c1 144014458 573115835 /nfs/dbraw/zinc/11/58/35/573115835.db2.gz OWTRJAUZBZWVPV-UHFFFAOYSA-N 1 0 187.222 1.001 10 10 ADCERO Cc1cc(/C=C/C[NH3+])cc(O)c1O 257945447 573118188 /nfs/dbraw/zinc/11/81/88/573118188.db2.gz DSXCFFMJQLXPPO-NSCUHMNNSA-N 1 0 179.219 1.378 10 10 ADCERO CCc1ccc2c(c1O)[C@H]([NH3+])CC2 238288306 573118452 /nfs/dbraw/zinc/11/84/52/573118452.db2.gz GQOJJXFBJCXKHQ-SECBINFHSA-N 1 0 177.247 1.901 10 10 ADCERO CCOc1ccc2c(c1O)[C@H]([NH3+])CO2 238287773 573119660 /nfs/dbraw/zinc/11/96/60/573119660.db2.gz JLXZLYTZZAQMGJ-ZCFIWIBFSA-N 1 0 195.218 1.183 10 10 ADCERO CCc1ccc2c(c1O)[C@@H]([NH3+])CC2 238288443 573119847 /nfs/dbraw/zinc/11/98/47/573119847.db2.gz GQOJJXFBJCXKHQ-VIFPVBQESA-N 1 0 177.247 1.901 10 10 ADCERO CC[C@@H]([NH3+])c1ccc(O)c(C)c1O 238280712 573120780 /nfs/dbraw/zinc/12/07/80/573120780.db2.gz LVDYTSIFFOIHDT-MRVPVSSYSA-N 1 0 181.235 1.816 10 10 ADCERO CC[C@@H]([NH3+])c1ccc(O)c(F)c1O 238280800 573124940 /nfs/dbraw/zinc/12/49/40/573124940.db2.gz WILCGBSOCKGZJN-ZCFIWIBFSA-N 1 0 185.198 1.647 10 10 ADCERO C[C@@H]1CN(C)c2ccc(C[NH3+])cc21 257950235 573126682 /nfs/dbraw/zinc/12/66/82/573126682.db2.gz FBTDCVLHTVDMHF-MRVPVSSYSA-N 1 0 176.263 1.699 10 10 ADCERO C[C@H]1CN(C)c2ccc(C[NH3+])cc21 257950239 573126836 /nfs/dbraw/zinc/12/68/36/573126836.db2.gz FBTDCVLHTVDMHF-QMMMGPOBSA-N 1 0 176.263 1.699 10 10 ADCERO CC[C@@H]([NH3+])c1cccc(N)c1O 238282969 573126901 /nfs/dbraw/zinc/12/69/01/573126901.db2.gz QKRGTEPZWYJOGG-SSDOTTSWSA-N 1 0 166.224 1.384 10 10 ADCERO [NH3+]CCCc1ccc(O)c(O)c1F 257949627 573127013 /nfs/dbraw/zinc/12/70/13/573127013.db2.gz AUFCWGUQHRSTRN-UHFFFAOYSA-N 1 0 185.198 1.128 10 10 ADCERO CC[C@@H]([NH3+])c1ccc(OC)c(O)c1O 238281391 573128078 /nfs/dbraw/zinc/12/80/78/573128078.db2.gz SUWILECOLMPUAF-SSDOTTSWSA-N 1 0 197.234 1.516 10 10 ADCERO CCc1ccc(O)c([C@@H]([NH3+])CF)c1 238283374 573134006 /nfs/dbraw/zinc/13/40/06/573134006.db2.gz CHBJVHCSGCBRKU-VIFPVBQESA-N 1 0 183.226 1.924 10 10 ADCERO CCc1ccc(O)c2c1OC[C@H]2[NH3+] 238284122 573132929 /nfs/dbraw/zinc/13/29/29/573132929.db2.gz AZBJJNBVFQRCBU-SSDOTTSWSA-N 1 0 179.219 1.347 10 10 ADCERO CCc1ccc(O)c2c1OCC[C@@H]2[NH3+] 238283998 573133608 /nfs/dbraw/zinc/13/36/08/573133608.db2.gz SAQCGINNGWFWEI-QMMMGPOBSA-N 1 0 193.246 1.737 10 10 ADCERO CCc1ccc(O)c2c1CC[C@H]2[NH3+] 238284108 573134111 /nfs/dbraw/zinc/13/41/11/573134111.db2.gz RKRDVGUOIQCDKN-SECBINFHSA-N 1 0 177.247 1.901 10 10 ADCERO CCc1ccc(O)c2c1OCC[C@H]2[NH3+] 238284099 573134394 /nfs/dbraw/zinc/13/43/94/573134394.db2.gz SAQCGINNGWFWEI-MRVPVSSYSA-N 1 0 193.246 1.737 10 10 ADCERO CCc1ccc(O)c2c1CC[C@@H]2[NH3+] 238284021 573135489 /nfs/dbraw/zinc/13/54/89/573135489.db2.gz RKRDVGUOIQCDKN-VIFPVBQESA-N 1 0 177.247 1.901 10 10 ADCERO Cc1c(Cl)cc(O)c(O)c1C[NH3+] 257951717 573135629 /nfs/dbraw/zinc/13/56/29/573135629.db2.gz AYOIIBYHXNLHHZ-UHFFFAOYSA-N 1 0 187.626 1.518 10 10 ADCERO CCc1ccc(O)c2c1OC[C@@H]2[NH3+] 238284042 573136134 /nfs/dbraw/zinc/13/61/34/573136134.db2.gz AZBJJNBVFQRCBU-ZETCQYMHSA-N 1 0 179.219 1.347 10 10 ADCERO CCc1ccc(O)c([C@H]([NH3+])CF)c1 238283586 573136390 /nfs/dbraw/zinc/13/63/90/573136390.db2.gz CHBJVHCSGCBRKU-SECBINFHSA-N 1 0 183.226 1.924 10 10 ADCERO COc1ccc(C)c(O)c1C1([NH3+])CC1 257955991 573137970 /nfs/dbraw/zinc/13/79/70/573137970.db2.gz BKGXAAOUCDGLAO-UHFFFAOYSA-N 1 0 193.246 1.657 10 10 ADCERO C[C@H]([NH3+])c1c(Cl)ccc(O)c1O 257955926 573139540 /nfs/dbraw/zinc/13/95/40/573139540.db2.gz BIZIGTXNDDOFMJ-BYPYZUCNSA-N 1 0 187.626 1.771 10 10 ADCERO CC(C)([NH3+])c1ccc(F)c(O)c1O 257956001 573140549 /nfs/dbraw/zinc/14/05/49/573140549.db2.gz BKKSZLQPKFYEEQ-UHFFFAOYSA-N 1 0 185.198 1.431 10 10 ADCERO CCc1ccc2c(c1O)[C@H]([NH3+])CCO2 238289764 573141234 /nfs/dbraw/zinc/14/12/34/573141234.db2.gz DVAUIDRERAVUSK-MRVPVSSYSA-N 1 0 193.246 1.737 10 10 ADCERO CCc1ccc2c(c1O)[C@@H]([NH3+])CCO2 238289796 573141929 /nfs/dbraw/zinc/14/19/29/573141929.db2.gz DVAUIDRERAVUSK-QMMMGPOBSA-N 1 0 193.246 1.737 10 10 ADCERO CC(=O)[C@H]([NH3+])c1cc(F)ccc1O 104664163 573142366 /nfs/dbraw/zinc/14/23/66/573142366.db2.gz CHIGGRIHYQFYBS-VIFPVBQESA-N 1 0 183.182 1.120 10 10 ADCERO CN(C)c1ccc2c(c1)OC[C@H]2[NH3+] 104664757 573142389 /nfs/dbraw/zinc/14/23/89/573142389.db2.gz SJUZAJHUJWBIJS-SECBINFHSA-N 1 0 178.235 1.145 10 10 ADCERO Nc1ccc(CNCC(F)F)cc1 147834797 573143141 /nfs/dbraw/zinc/14/31/41/573143141.db2.gz RMVQIIXYXVWHCB-UHFFFAOYSA-N 1 0 186.205 1.624 10 10 ADCERO CC(=O)[C@@H]([NH3+])c1cc(F)ccc1O 104664165 573143279 /nfs/dbraw/zinc/14/32/79/573143279.db2.gz CHIGGRIHYQFYBS-SECBINFHSA-N 1 0 183.182 1.120 10 10 ADCERO CCOc1ccc(O)c2c1OC[C@H]2[NH3+] 238291129 573143455 /nfs/dbraw/zinc/14/34/55/573143455.db2.gz ZYSOWFRYONXVAP-ZCFIWIBFSA-N 1 0 195.218 1.183 10 10 ADCERO CCOc1ccc(O)c(C(C)(C)[NH3+])c1 238290446 573143627 /nfs/dbraw/zinc/14/36/27/573143627.db2.gz VSNFFNZWCRSUCO-UHFFFAOYSA-N 1 0 195.262 1.985 10 10 ADCERO CN(C)c1ccc2c(c1)[C@@H]([NH3+])CO2 104663437 573143847 /nfs/dbraw/zinc/14/38/47/573143847.db2.gz SLFXCKSXFCDTIV-VIFPVBQESA-N 1 0 178.235 1.145 10 10 ADCERO COC[C@H]([NH3+])c1cc(C)ccc1O 104663909 573145211 /nfs/dbraw/zinc/14/52/11/573145211.db2.gz LZTNMXJDVQBJPK-VIFPVBQESA-N 1 0 181.235 1.347 10 10 ADCERO CCOc1ccc(O)c2c1CC[C@@H]2[NH3+] 238291067 573145921 /nfs/dbraw/zinc/14/59/21/573145921.db2.gz LEGJBJZJZNKHGY-QMMMGPOBSA-N 1 0 193.246 1.737 10 10 ADCERO C[NH+](C)[C@@H]1C[C@H]1c1ccc(O)c(O)c1 238291138 573146286 /nfs/dbraw/zinc/14/62/86/573146286.db2.gz DBSWGRFYUPDTSK-DTWKUNHWSA-N 1 0 193.246 1.515 10 10 ADCERO CCc1ccc2c(c1O)[C@@H]([NH3+])CO2 238290158 573146544 /nfs/dbraw/zinc/14/65/44/573146544.db2.gz ZXUYOMHDOQKTCR-ZETCQYMHSA-N 1 0 179.219 1.347 10 10 ADCERO CCOc1ccc(O)c2c1CC[C@H]2[NH3+] 238291114 573147229 /nfs/dbraw/zinc/14/72/29/573147229.db2.gz LEGJBJZJZNKHGY-MRVPVSSYSA-N 1 0 193.246 1.737 10 10 ADCERO CN(C)c1ccc2c(c1)CC[C@H]2[NH3+] 104664769 573147242 /nfs/dbraw/zinc/14/72/42/573147242.db2.gz XOUANLILGOPKLH-LLVKDONJSA-N 1 0 176.263 1.699 10 10 ADCERO CCOc1ccc(O)c2c1OC[C@@H]2[NH3+] 238291080 573147691 /nfs/dbraw/zinc/14/76/91/573147691.db2.gz ZYSOWFRYONXVAP-LURJTMIESA-N 1 0 195.218 1.183 10 10 ADCERO CCc1ccc2c(c1O)[C@H]([NH3+])CO2 238290012 573147862 /nfs/dbraw/zinc/14/78/62/573147862.db2.gz ZXUYOMHDOQKTCR-SSDOTTSWSA-N 1 0 179.219 1.347 10 10 ADCERO [NH3+][C@@H]1CCc2c1ccc(O)c2O 104667073 573148603 /nfs/dbraw/zinc/14/86/03/573148603.db2.gz ZZOZYVWAXAJBOY-SSDOTTSWSA-N 1 0 165.192 1.044 10 10 ADCERO CCn1ccnc1/C(C)=C\CC[NH2+]C 211891112 573149752 /nfs/dbraw/zinc/14/97/52/573149752.db2.gz PNOANCIZSZRMDN-POHAHGRESA-N 1 0 193.294 1.916 10 10 ADCERO CN(C)c1ccc2c(c1)OC[C@@H]2[NH3+] 104668987 573152194 /nfs/dbraw/zinc/15/21/94/573152194.db2.gz SJUZAJHUJWBIJS-VIFPVBQESA-N 1 0 178.235 1.145 10 10 ADCERO CCc1ccc([C@@H]([NH3+])CF)c(O)c1 238291618 573153188 /nfs/dbraw/zinc/15/31/88/573153188.db2.gz CWMIDJZNKUTMGZ-VIFPVBQESA-N 1 0 183.226 1.924 10 10 ADCERO CCc1ccc([C@H]([NH3+])CF)c(O)c1 238293382 573156257 /nfs/dbraw/zinc/15/62/57/573156257.db2.gz CWMIDJZNKUTMGZ-SECBINFHSA-N 1 0 183.226 1.924 10 10 ADCERO CC[C@@](C)([NH3+])Cc1ccc(N)cc1 238293574 573156705 /nfs/dbraw/zinc/15/67/05/573156705.db2.gz PXLQIPCUWCBNSR-LLVKDONJSA-N 1 0 178.279 1.939 10 10 ADCERO CC(=O)[C@@H]([NH3+])c1ccc(C)cc1O 104670941 573157535 /nfs/dbraw/zinc/15/75/35/573157535.db2.gz HAAKOGKJJJRQBX-SNVBAGLBSA-N 1 0 179.219 1.289 10 10 ADCERO Cc1cc(O)c([C@H](C)[NH3+])cc1F 82703819 573157981 /nfs/dbraw/zinc/15/79/81/573157981.db2.gz SHOAYKICLFQHIQ-LURJTMIESA-N 1 0 169.199 1.859 10 10 ADCERO Cc1cc(O)c([C@@H](C)[NH3+])cc1F 82703817 573158407 /nfs/dbraw/zinc/15/84/07/573158407.db2.gz SHOAYKICLFQHIQ-ZCFIWIBFSA-N 1 0 169.199 1.859 10 10 ADCERO CC(=O)[C@H]([NH3+])c1ccc(C)cc1O 104670944 573160253 /nfs/dbraw/zinc/16/02/53/573160253.db2.gz HAAKOGKJJJRQBX-JTQLQIEISA-N 1 0 179.219 1.289 10 10 ADCERO CC(=O)[C@H]([NH3+])c1cc(C)ccc1O 104672635 573161679 /nfs/dbraw/zinc/16/16/79/573161679.db2.gz ZFMFIKJEXLOYEG-JTQLQIEISA-N 1 0 179.219 1.289 10 10 ADCERO [NH3+][C@H]1CCc2c1ccc(O)c2O 104674594 573165593 /nfs/dbraw/zinc/16/55/93/573165593.db2.gz ZZOZYVWAXAJBOY-ZETCQYMHSA-N 1 0 165.192 1.044 10 10 ADCERO [NH3+][C@H]1CCc2cc(O)c(O)cc21 104674600 573167858 /nfs/dbraw/zinc/16/78/58/573167858.db2.gz ILRFJKUKVNAEFA-ZETCQYMHSA-N 1 0 165.192 1.044 10 10 ADCERO [NH3+][C@@H]1CCc2cc(O)c(O)cc21 104674597 573169244 /nfs/dbraw/zinc/16/92/44/573169244.db2.gz ILRFJKUKVNAEFA-SSDOTTSWSA-N 1 0 165.192 1.044 10 10 ADCERO CN(C)c1ccc2c(c1)[C@H]([NH3+])CCO2 104675490 573170160 /nfs/dbraw/zinc/17/01/60/573170160.db2.gz QBWOOFLEESICOA-SNVBAGLBSA-N 1 0 192.262 1.535 10 10 ADCERO Nc1ccc(O)c([C@H]2CCCC[NH2+]2)c1 104676291 573170392 /nfs/dbraw/zinc/17/03/92/573170392.db2.gz IPPMNIPKJHBYDU-SNVBAGLBSA-N 1 0 192.262 1.789 10 10 ADCERO COc1ccc(N(C)C)c(C[NH3+])c1 257958177 573170463 /nfs/dbraw/zinc/17/04/63/573170463.db2.gz GKACITSTERVFSD-UHFFFAOYSA-N 1 0 180.251 1.220 10 10 ADCERO COc1cc(N(C)C)ccc1[C@H](C)[NH3+] 104677592 573170707 /nfs/dbraw/zinc/17/07/07/573170707.db2.gz UBFMMJLTUJUXRD-QMMMGPOBSA-N 1 0 194.278 1.781 10 10 ADCERO Cc1cc(C2([NH3+])CC2)cc(O)c1O 257958327 573172580 /nfs/dbraw/zinc/17/25/80/573172580.db2.gz GOVZFHHSSMFHMF-UHFFFAOYSA-N 1 0 179.219 1.354 10 10 ADCERO [NH3+]C1(Cc2c(F)ccc(O)c2O)CC1 257958130 573172757 /nfs/dbraw/zinc/17/27/57/573172757.db2.gz BMAOWIVCOIQQBK-UHFFFAOYSA-N 1 0 197.209 1.271 10 10 ADCERO CCSc1cccc(C[NH3+])c1O 238304157 573173102 /nfs/dbraw/zinc/17/31/02/573173102.db2.gz DECVJCRGUDLQKJ-UHFFFAOYSA-N 1 0 183.276 1.963 10 10 ADCERO CN(C)c1ccc2c(c1)OCC[C@@H]2[NH3+] 104676271 573174329 /nfs/dbraw/zinc/17/43/29/573174329.db2.gz HZSWIQZJQUCECC-JTQLQIEISA-N 1 0 192.262 1.535 10 10 ADCERO CCc1cccc([C@](C)([NH3+])CO)c1O 238304364 573174202 /nfs/dbraw/zinc/17/42/02/573174202.db2.gz JDHHEAMXRPDWFH-LLVKDONJSA-N 1 0 195.262 1.121 10 10 ADCERO CN(C)c1ccc2c(c1)OCC[C@H]2[NH3+] 104675496 573174620 /nfs/dbraw/zinc/17/46/20/573174620.db2.gz HZSWIQZJQUCECC-SNVBAGLBSA-N 1 0 192.262 1.535 10 10 ADCERO COc1ccc(O)c([C@H]2CCC[NH2+]2)c1 104677383 573175022 /nfs/dbraw/zinc/17/50/22/573175022.db2.gz GOQWMVJELWRTOP-SNVBAGLBSA-N 1 0 193.246 1.825 10 10 ADCERO Nc1ccc(O)c([C@@H]([NH3+])CC2CC2)c1 104682110 573176627 /nfs/dbraw/zinc/17/66/27/573176627.db2.gz INZPMFGPMULRQS-JTQLQIEISA-N 1 0 192.262 1.774 10 10 ADCERO COc1cc(C(C)(C)[NH3+])c(O)cc1C 257960409 573176966 /nfs/dbraw/zinc/17/69/66/573176966.db2.gz BVFWOUZLVPMHIU-UHFFFAOYSA-N 1 0 195.262 1.903 10 10 ADCERO CCc1cccc([C@@](C)([NH3+])CO)c1O 238303857 573177040 /nfs/dbraw/zinc/17/70/40/573177040.db2.gz JDHHEAMXRPDWFH-NSHDSACASA-N 1 0 195.262 1.121 10 10 ADCERO Nc1ccc(O)c([C@H]([NH3+])CC2CC2)c1 104682109 573177080 /nfs/dbraw/zinc/17/70/80/573177080.db2.gz INZPMFGPMULRQS-SNVBAGLBSA-N 1 0 192.262 1.774 10 10 ADCERO COc1ccc(O)c([C@@H]2CCC[NH2+]2)c1 104679456 573178211 /nfs/dbraw/zinc/17/82/11/573178211.db2.gz GOQWMVJELWRTOP-JTQLQIEISA-N 1 0 193.246 1.825 10 10 ADCERO CC1=C(C)C(C2([NH3+])CC2)C(=O)NC1=O 104680205 573180127 /nfs/dbraw/zinc/18/01/27/573180127.db2.gz OCJXFEDBWRLXEY-UHFFFAOYSA-N 1 0 194.234 1.057 10 10 ADCERO CN1c2ccc(C[NH3+])cc2CC1(C)C 238305976 573180779 /nfs/dbraw/zinc/18/07/79/573180779.db2.gz ASBARIUXEYLURY-UHFFFAOYSA-N 1 0 190.290 1.916 10 10 ADCERO C[C@H]([NH3+])Cc1c(F)ccc(O)c1O 257960452 573180855 /nfs/dbraw/zinc/18/08/55/573180855.db2.gz BWBLFFMZRJMNMR-YFKPBYRVSA-N 1 0 185.198 1.127 10 10 ADCERO Oc1cc([C@H]2CCC[NH2+]2)cc(O)c1O 104681042 573180897 /nfs/dbraw/zinc/18/08/97/573180897.db2.gz MIZQNKCQSZOMSB-SSDOTTSWSA-N 1 0 195.218 1.228 10 10 ADCERO Nc1ccc(O)c([C@@H]2CCCC[NH2+]2)c1 104682112 573180973 /nfs/dbraw/zinc/18/09/73/573180973.db2.gz IPPMNIPKJHBYDU-JTQLQIEISA-N 1 0 192.262 1.789 10 10 ADCERO COc1ccc(N(C)C)cc1CC[NH3+] 257962484 573180999 /nfs/dbraw/zinc/18/09/99/573180999.db2.gz BWNLSWNITXJOHZ-UHFFFAOYSA-N 1 0 194.278 1.262 10 10 ADCERO Cc1cc(C2([NH3+])CC2)c(F)c(O)c1O 257962493 573181486 /nfs/dbraw/zinc/18/14/86/573181486.db2.gz BWUFYIBALRZXKF-UHFFFAOYSA-N 1 0 197.209 1.493 10 10 ADCERO C[C@@H]([NH3+])Cc1c(F)ccc(O)c1O 257960451 573181779 /nfs/dbraw/zinc/18/17/79/573181779.db2.gz BWBLFFMZRJMNMR-RXMQYKEDSA-N 1 0 185.198 1.127 10 10 ADCERO Cc1cc(O)c([C@@H]([NH3+])C2CC2)c(O)c1 104683381 573182295 /nfs/dbraw/zinc/18/22/95/573182295.db2.gz VPLRMEHOFVYOFY-NSHDSACASA-N 1 0 193.246 1.816 10 10 ADCERO Cc1cc(O)c([C@H]([NH3+])C2CC2)c(O)c1 104683376 573186492 /nfs/dbraw/zinc/18/64/92/573186492.db2.gz VPLRMEHOFVYOFY-LLVKDONJSA-N 1 0 193.246 1.816 10 10 ADCERO Cc1cc(CC[NH3+])c(O)c(O)c1C 257963320 573186181 /nfs/dbraw/zinc/18/61/81/573186181.db2.gz HGJWZPISQJIJFS-UHFFFAOYSA-N 1 0 181.235 1.216 10 10 ADCERO C[C@H]([NH3+])C1(c2cccc(O)c2O)CC1 257962714 573186454 /nfs/dbraw/zinc/18/64/54/573186454.db2.gz BZXOKRDTJOYVHA-ZETCQYMHSA-N 1 0 193.246 1.477 10 10 ADCERO C[C@@H]([NH3+])C1(c2cccc(O)c2O)CC1 257962711 573188427 /nfs/dbraw/zinc/18/84/27/573188427.db2.gz BZXOKRDTJOYVHA-SSDOTTSWSA-N 1 0 193.246 1.477 10 10 ADCERO C[NH+](C)[C@H]1C[C@@H]1c1ccc(O)c(O)c1 238300344 573188622 /nfs/dbraw/zinc/18/86/22/573188622.db2.gz DBSWGRFYUPDTSK-BDAKNGLRSA-N 1 0 193.246 1.515 10 10 ADCERO COc1ccc(N(C)CC(N)=[NH2+])cc1 49970036 573188854 /nfs/dbraw/zinc/18/88/54/573188854.db2.gz SAMFXIXTZDSSOF-UHFFFAOYSA-N 1 0 193.250 1.067 10 10 ADCERO C[C@@H](CC[NH3+])c1cccc(O)c1O 257963315 573190055 /nfs/dbraw/zinc/19/00/55/573190055.db2.gz HGICXTXFTVILSH-ZETCQYMHSA-N 1 0 181.235 1.550 10 10 ADCERO C[C@H](CC[NH3+])c1cccc(O)c1O 257963312 573190383 /nfs/dbraw/zinc/19/03/83/573190383.db2.gz HGICXTXFTVILSH-SSDOTTSWSA-N 1 0 181.235 1.550 10 10 ADCERO C[C@H]([NH2+]C1CC1)c1c(O)cccc1O 235522450 573194639 /nfs/dbraw/zinc/19/46/39/573194639.db2.gz ZVQFFEFXGJCLRL-ZETCQYMHSA-N 1 0 193.246 1.911 10 10 ADCERO C[C@@H]([NH3+])c1ccc(Cl)c(O)c1O 257967004 573196363 /nfs/dbraw/zinc/19/63/63/573196363.db2.gz CHSMHGOIEMOKDB-SCSAIBSYSA-N 1 0 187.626 1.771 10 10 ADCERO CC[C@H]([NH3+])C1=CC(=O)CS1 238314070 573197507 /nfs/dbraw/zinc/19/75/07/573197507.db2.gz PMKWIJSQHNOEOL-LURJTMIESA-N 1 0 157.238 1.864 10 10 ADCERO C[C@H]([NH3+])c1ccc(Cl)c(O)c1O 257967002 573197698 /nfs/dbraw/zinc/19/76/98/573197698.db2.gz CHSMHGOIEMOKDB-BYPYZUCNSA-N 1 0 187.626 1.771 10 10 ADCERO Oc1ccccc1[C@H]1CCC[C@H](O)[NH2+]1 258484428 573201300 /nfs/dbraw/zinc/20/13/00/573201300.db2.gz FITIOHLTHDWZSF-KOLCDFICSA-N 1 0 193.246 1.525 10 10 ADCERO Oc1ccccc1[C@H]1CCC[C@@H](O)[NH2+]1 258484431 573202048 /nfs/dbraw/zinc/20/20/48/573202048.db2.gz FITIOHLTHDWZSF-MWLCHTKSSA-N 1 0 193.246 1.525 10 10 ADCERO CC[C@H]([NH3+])c1cc(C)cc(N)c1O 238311353 573203835 /nfs/dbraw/zinc/20/38/35/573203835.db2.gz WQXVIBAEUAZOMB-QMMMGPOBSA-N 1 0 180.251 1.693 10 10 ADCERO C[NH2+][C@H]1CCCc2cccc(O)c21 257963994 573206098 /nfs/dbraw/zinc/20/60/98/573206098.db2.gz XUBNKHNEDHSNFA-VIFPVBQESA-N 1 0 177.247 1.989 10 10 ADCERO CC[C@H]([NH3+])c1cc(N)c(O)c(O)c1 238313415 573207263 /nfs/dbraw/zinc/20/72/63/573207263.db2.gz KITYTHKYANNFOX-LURJTMIESA-N 1 0 182.223 1.090 10 10 ADCERO CC[C@H]([NH3+])c1cc(N)c(C)cc1O 238313349 573209903 /nfs/dbraw/zinc/20/99/03/573209903.db2.gz TVJSSIOTLZFKDJ-QMMMGPOBSA-N 1 0 180.251 1.693 10 10 ADCERO [NH3+]C1(c2cc(O)c(F)cc2O)CC1 257972822 573210621 /nfs/dbraw/zinc/21/06/21/573210621.db2.gz CZWPAPPJQAZNFH-UHFFFAOYSA-N 1 0 183.182 1.185 10 10 ADCERO CC[C@H]([NH3+])c1cc(O)c(O)cc1O 238313773 573213963 /nfs/dbraw/zinc/21/39/63/573213963.db2.gz HUAVAQHGGYCXNA-LURJTMIESA-N 1 0 183.207 1.213 10 10 ADCERO CC[C@H]([NH3+])c1cc(O)c(O)c(OC)c1 238313764 573214047 /nfs/dbraw/zinc/21/40/47/573214047.db2.gz ZPCSQJAWWCMRPT-ZETCQYMHSA-N 1 0 197.234 1.516 10 10 ADCERO Oc1ccc(C[NH2+]CCCF)cc1O 308517706 573216499 /nfs/dbraw/zinc/21/64/99/573216499.db2.gz GCGLOQAJCVMWQB-UHFFFAOYSA-N 1 0 199.225 1.547 10 10 ADCERO [NH3+]C1(c2cc(O)c(O)c(F)c2)CC1 257974886 573219467 /nfs/dbraw/zinc/21/94/67/573219467.db2.gz DDQDAYNXFHSOGV-UHFFFAOYSA-N 1 0 183.182 1.185 10 10 ADCERO C[C@H]([NH2+]CCF)c1c(O)cccc1O 308519108 573220085 /nfs/dbraw/zinc/22/00/85/573220085.db2.gz GVVCPTMJGCNCLV-ZETCQYMHSA-N 1 0 199.225 1.718 10 10 ADCERO CC1(C)C[NH2+][C@@H](c2ccccc2O)O1 258596004 573221246 /nfs/dbraw/zinc/22/12/46/573221246.db2.gz QMGRGOHYHDATGN-SNVBAGLBSA-N 1 0 193.246 1.789 10 10 ADCERO CC[C@H]([NH3+])c1c(O)cccc1O 238309457 573221393 /nfs/dbraw/zinc/22/13/93/573221393.db2.gz VYVUZEHIAQKRPO-LURJTMIESA-N 1 0 167.208 1.508 10 10 ADCERO C[C@@H]([NH2+]CCF)c1c(O)cccc1O 308519107 573222236 /nfs/dbraw/zinc/22/22/36/573222236.db2.gz GVVCPTMJGCNCLV-SSDOTTSWSA-N 1 0 199.225 1.718 10 10 ADCERO CC[C@H]([NH3+])c1c(O)ccc(O)c1O 238309400 573223313 /nfs/dbraw/zinc/22/33/13/573223313.db2.gz JOWYCSXMRNIOTP-YFKPBYRVSA-N 1 0 183.207 1.213 10 10 ADCERO C[C@@H]([NH2+]CCF)c1cc(O)ccc1O 308519895 573227408 /nfs/dbraw/zinc/22/74/08/573227408.db2.gz HCWXYUOJFZDBLN-SSDOTTSWSA-N 1 0 199.225 1.718 10 10 ADCERO C[C@H]([NH2+]CCF)c1cc(O)ccc1O 308519896 573229223 /nfs/dbraw/zinc/22/92/23/573229223.db2.gz HCWXYUOJFZDBLN-ZETCQYMHSA-N 1 0 199.225 1.718 10 10 ADCERO C[C@@H]([NH3+])c1cc(O)c(O)c(F)c1 257977425 573233510 /nfs/dbraw/zinc/23/35/10/573233510.db2.gz JEWOBDGRUGWHFX-SCSAIBSYSA-N 1 0 171.171 1.257 10 10 ADCERO C[C@H]([NH3+])c1cc(O)c(O)c(F)c1 257977422 573234018 /nfs/dbraw/zinc/23/40/18/573234018.db2.gz JEWOBDGRUGWHFX-BYPYZUCNSA-N 1 0 171.171 1.257 10 10 ADCERO C[NH+](C)C1(c2ccccc2O)CC1 238323111 573234767 /nfs/dbraw/zinc/23/47/67/573234767.db2.gz DIRLWGCPUJXRED-UHFFFAOYSA-N 1 0 177.247 1.943 10 10 ADCERO Oc1ccccc1[C@@H]1[NH2+]CCCO1 258604186 573238612 /nfs/dbraw/zinc/23/86/12/573238612.db2.gz QUBIAVOBBVPDFO-SNVBAGLBSA-N 1 0 179.219 1.401 10 10 ADCERO C[C@H]1C[NH2+][C@@H](c2ccccc2O)OC1 258487379 573238588 /nfs/dbraw/zinc/23/85/88/573238588.db2.gz LMRGNJROSCTDMR-GZMMTYOYSA-N 1 0 193.246 1.647 10 10 ADCERO C[C@H]1C[NH2+][C@H](c2ccccc2O)OC1 258487444 573240024 /nfs/dbraw/zinc/24/00/24/573240024.db2.gz LMRGNJROSCTDMR-KWQFWETISA-N 1 0 193.246 1.647 10 10 ADCERO Cc1cc([C@@H]([NH3+])CO)ccc1N(C)C 238314390 573240056 /nfs/dbraw/zinc/24/00/56/573240056.db2.gz XLIIUTPOTZMKPK-JTQLQIEISA-N 1 0 194.278 1.053 10 10 ADCERO CC[C@H]([NH3+])c1ccc(O)c(F)c1O 238316897 573248025 /nfs/dbraw/zinc/24/80/25/573248025.db2.gz WILCGBSOCKGZJN-LURJTMIESA-N 1 0 185.198 1.647 10 10 ADCERO [NH3+]CC1(c2c(F)ccc(O)c2O)CC1 257977245 573248734 /nfs/dbraw/zinc/24/87/34/573248734.db2.gz DMLLWPPGINRULK-UHFFFAOYSA-N 1 0 197.209 1.227 10 10 ADCERO CC[C@H]([NH3+])c1ccc(N)cc1O 238316670 573249142 /nfs/dbraw/zinc/24/91/42/573249142.db2.gz YAQUUICELQFSSN-QMMMGPOBSA-N 1 0 166.224 1.384 10 10 ADCERO [NH3+]C1(c2ccc(F)c(O)c2O)CCC1 257979455 573254105 /nfs/dbraw/zinc/25/41/05/573254105.db2.gz DRAUEIVYFNUCBW-UHFFFAOYSA-N 1 0 197.209 1.575 10 10 ADCERO Cc1cc(C[C@H](C)[NH3+])c(O)c(O)c1C 257979214 573255192 /nfs/dbraw/zinc/25/51/92/573255192.db2.gz DNWQJOUZPXCXCD-ZETCQYMHSA-N 1 0 195.262 1.604 10 10 ADCERO Nc1ccc(CC[NH+]2CC=CC2)cc1 116295086 573256768 /nfs/dbraw/zinc/25/67/68/573256768.db2.gz YDMAYSKPPPCAMI-UHFFFAOYSA-N 1 0 188.274 1.683 10 10 ADCERO C[C@@H]1C[NH2+][C@H](c2ccccc2O)O1 258614176 573259745 /nfs/dbraw/zinc/25/97/45/573259745.db2.gz QYWSTPXMUJODKZ-XCBNKYQSSA-N 1 0 179.219 1.399 10 10 ADCERO C[C@@H]1C[NH2+][C@@H](c2ccccc2O)O1 258614172 573259760 /nfs/dbraw/zinc/25/97/60/573259760.db2.gz QYWSTPXMUJODKZ-GMSGAONNSA-N 1 0 179.219 1.399 10 10 ADCERO Nc1ccc(C[NH+]2CC=CC2)cc1 116323205 573260945 /nfs/dbraw/zinc/26/09/45/573260945.db2.gz XDVLZNTXFMILTC-UHFFFAOYSA-N 1 0 174.247 1.641 10 10 ADCERO COCc1ccc(O)c(C(C)(C)[NH3+])c1 238326688 573261603 /nfs/dbraw/zinc/26/16/03/573261603.db2.gz OVJQFXTUCZESER-UHFFFAOYSA-N 1 0 195.262 1.732 10 10 ADCERO Cc1cc(O)c(O)c2c1CC[NH2+]C2 257983075 573261987 /nfs/dbraw/zinc/26/19/87/573261987.db2.gz ZWVHTZKEZUIGOV-UHFFFAOYSA-N 1 0 179.219 1.052 10 10 ADCERO C[NH2+][C@@H](C)c1cc(F)cc(OC)c1O 238326424 573262369 /nfs/dbraw/zinc/26/23/69/573262369.db2.gz AMYMNAUXQCDKRA-LURJTMIESA-N 1 0 199.225 1.820 10 10 ADCERO Cc1cc(C[NH3+])cc(C[NH+](C)C)c1O 82894899 573264252 /nfs/dbraw/zinc/26/42/52/573264252.db2.gz LZNPZVNKCXUZFO-UHFFFAOYSA-N 1 0 194.278 1.221 10 10 ADCERO C[NH2+][C@@H](C)c1cc(N)cc(F)c1O 238327752 573267238 /nfs/dbraw/zinc/26/72/38/573267238.db2.gz PUDQQLQLCXSPDB-YFKPBYRVSA-N 1 0 184.214 1.394 10 10 ADCERO C[NH2+][C@H]1Cc2cccc(O)c21 257986681 573267733 /nfs/dbraw/zinc/26/77/33/573267733.db2.gz BLGXEUKLLSXTOR-ZETCQYMHSA-N 1 0 149.193 1.209 10 10 ADCERO C[NH2+][C@H](C)c1c(C)ccc(OC)c1O 238327742 573267872 /nfs/dbraw/zinc/26/78/72/573267872.db2.gz ISVVBKDLSRRDRD-MRVPVSSYSA-N 1 0 195.262 1.990 10 10 ADCERO C[NH2+][C@@H]1Cc2cccc(O)c21 257986676 573268974 /nfs/dbraw/zinc/26/89/74/573268974.db2.gz BLGXEUKLLSXTOR-SSDOTTSWSA-N 1 0 149.193 1.209 10 10 ADCERO C[NH2+][C@H](C)c1c(O)cc(C)cc1O 238328889 573272440 /nfs/dbraw/zinc/27/24/40/573272440.db2.gz KVDSPEWCGXUXEA-SSDOTTSWSA-N 1 0 181.235 1.687 10 10 ADCERO Cc1c(C[C@@H](C)[NH3+])cc(O)c(O)c1C 257987061 573272575 /nfs/dbraw/zinc/27/25/75/573272575.db2.gz FGVBAVMFMUUJDC-ZCFIWIBFSA-N 1 0 195.262 1.604 10 10 ADCERO C[NH2+][C@H](C)c1cc(C)cc(N)c1O 238330069 573272723 /nfs/dbraw/zinc/27/27/23/573272723.db2.gz GZVTZIANBGJHOJ-SSDOTTSWSA-N 1 0 180.251 1.563 10 10 ADCERO C[C@]1(c2cccc(O)c2O)CCC[NH2+]1 257989351 573274935 /nfs/dbraw/zinc/27/49/35/573274935.db2.gz FMFLAJKDXWTEIV-LLVKDONJSA-N 1 0 193.246 1.696 10 10 ADCERO CN(C)c1ccc2c(c1)C(=O)C[C@@H]2[NH3+] 238330963 573275429 /nfs/dbraw/zinc/27/54/29/573275429.db2.gz OJCBBIAIJTVAHK-JTQLQIEISA-N 1 0 190.246 1.339 10 10 ADCERO CN(C)c1ccc2c(c1)COC[C@@H]2[NH3+] 238330987 573279770 /nfs/dbraw/zinc/27/97/70/573279770.db2.gz XDBIAHWPAJDRJV-NSHDSACASA-N 1 0 192.262 1.283 10 10 ADCERO CCc1cc(N)c(O)c([C@@H](C)[NH3+])c1 238332769 573280529 /nfs/dbraw/zinc/28/05/29/573280529.db2.gz BMMBNCWPKYYQGS-ZCFIWIBFSA-N 1 0 180.251 1.557 10 10 ADCERO CC[C@@H]([NH3+])C(=O)c1ccc(O)c(O)c1 74245099 573282494 /nfs/dbraw/zinc/28/24/94/573282494.db2.gz SRELCPJJZUFVLV-SSDOTTSWSA-N 1 0 195.218 1.018 10 10 ADCERO C[NH+](C)Cc1ccc(O)cc1O 238331881 573282914 /nfs/dbraw/zinc/28/29/14/573282914.db2.gz BXEJRBYKIHFMMU-UHFFFAOYSA-N 1 0 167.208 1.159 10 10 ADCERO CC(C)[C@H]([NH3+])Cc1ccc(O)c(O)c1 74244209 573283089 /nfs/dbraw/zinc/28/30/89/573283089.db2.gz CXPPNZSQLZSFHV-SECBINFHSA-N 1 0 195.262 1.624 10 10 ADCERO C[C@H](CC[NH3+])c1c(F)ccc(O)c1O 258279530 573285900 /nfs/dbraw/zinc/28/59/00/573285900.db2.gz ZYZMZZWDTYWZSP-ZCFIWIBFSA-N 1 0 199.225 1.689 10 10 ADCERO COCc1ccc(O)c(C2([NH3+])CC2)c1 238334968 573287465 /nfs/dbraw/zinc/28/74/65/573287465.db2.gz OCLXJQYEWNCKQS-UHFFFAOYSA-N 1 0 193.246 1.486 10 10 ADCERO Cc1cc(C2([NH3+])CC2)c(O)c(O)c1C 257993926 573290411 /nfs/dbraw/zinc/29/04/11/573290411.db2.gz FSCCIRNJYXSXLL-UHFFFAOYSA-N 1 0 193.246 1.662 10 10 ADCERO [NH3+]CCCc1cc(O)c(O)c(F)c1 257994110 573291243 /nfs/dbraw/zinc/29/12/43/573291243.db2.gz FWUDRUGAHCELPN-UHFFFAOYSA-N 1 0 185.198 1.128 10 10 ADCERO Cn1c(CC[NH3+])ccc1-c1ccon1 74272701 573292974 /nfs/dbraw/zinc/29/29/74/573292974.db2.gz OBYQFFHVQNSYDK-UHFFFAOYSA-N 1 0 191.234 1.181 10 10 ADCERO CC(C)([NH3+])c1ccc2c(c1O)OCO2 257996705 573293358 /nfs/dbraw/zinc/29/33/58/573293358.db2.gz GCIQJGLMXZJUMB-UHFFFAOYSA-N 1 0 195.218 1.315 10 10 ADCERO Oc1ccc(F)c([C@@H]2CC[NH2+]C2)c1O 257996657 573296287 /nfs/dbraw/zinc/29/62/87/573296287.db2.gz GBDMEKXOLQCINY-ZCFIWIBFSA-N 1 0 197.209 1.314 10 10 ADCERO Cc1c([C@H](C)C[NH3+])cc(O)c(O)c1C 257996773 573296825 /nfs/dbraw/zinc/29/68/25/573296825.db2.gz GDSFXPHNFSZPTQ-ZCFIWIBFSA-N 1 0 195.262 1.777 10 10 ADCERO C[C@H]1CO[C@H](c2ccccc2O)[NH2+]1 258623362 573297309 /nfs/dbraw/zinc/29/73/09/573297309.db2.gz RIOYJZYLNOFTLW-OIBJUYFYSA-N 1 0 179.219 1.399 10 10 ADCERO CCc1cc(O)c(O)c([C@H](C)[NH3+])c1 238335561 573297507 /nfs/dbraw/zinc/29/75/07/573297507.db2.gz NHTAUMTZRLXROX-LURJTMIESA-N 1 0 181.235 1.680 10 10 ADCERO C[NH2+][C@H](C)C(=O)c1ccsc1N 74282974 573299848 /nfs/dbraw/zinc/29/98/48/573299848.db2.gz WMLLIYZXAOIEKZ-RXMQYKEDSA-N 1 0 184.264 1.121 10 10 ADCERO C[C@@H]1CO[C@@H](c2ccccc2O)[NH2+]1 258623370 573300402 /nfs/dbraw/zinc/30/04/02/573300402.db2.gz RIOYJZYLNOFTLW-XCBNKYQSSA-N 1 0 179.219 1.399 10 10 ADCERO COc1cc([C@H]2CC[NH2+]2)c(O)cc1C 211648947 573305318 /nfs/dbraw/zinc/30/53/18/573305318.db2.gz GZYABYYOFCCTSR-SECBINFHSA-N 1 0 193.246 1.744 10 10 ADCERO C#[N+]c1ccc(N)cc1 106562138 573306855 /nfs/dbraw/zinc/30/68/55/573306855.db2.gz CBJLBXCGJVTODE-UHFFFAOYSA-N 1 0 118.139 1.820 10 10 ADCERO COc1ccc(F)c(C(C)(C)[NH3+])c1O 238345409 573310445 /nfs/dbraw/zinc/31/04/45/573310445.db2.gz RSCPWQWLFBUTFN-UHFFFAOYSA-N 1 0 199.225 1.734 10 10 ADCERO O=C1CSC2=C1CCC[NH2+]C2 106838540 573311233 /nfs/dbraw/zinc/31/12/33/573311233.db2.gz KIBMZPOSTKKNMX-UHFFFAOYSA-N 1 0 169.249 1.490 10 10 ADCERO COc1cc(F)cc(C(C)(C)[NH3+])c1O 238350904 573317838 /nfs/dbraw/zinc/31/78/38/573317838.db2.gz DCKDKBDGEBLHKR-UHFFFAOYSA-N 1 0 199.225 1.734 10 10 ADCERO CC[N@H+](C)Cc1ccc(OC)cc1O 132550293 573318249 /nfs/dbraw/zinc/31/82/49/573318249.db2.gz NBXDXLAJQFXUTQ-UHFFFAOYSA-N 1 0 195.262 1.853 10 10 ADCERO C[C@@H]([NH3+])c1cc2c(c(F)c1O)OCO2 258257567 573318361 /nfs/dbraw/zinc/31/83/61/573318361.db2.gz YFFUHVFWEOMSKP-SCSAIBSYSA-N 1 0 199.181 1.280 10 10 ADCERO C[C@H]([NH3+])c1cc2c(c(F)c1O)OCO2 258257563 573318454 /nfs/dbraw/zinc/31/84/54/573318454.db2.gz YFFUHVFWEOMSKP-BYPYZUCNSA-N 1 0 199.181 1.280 10 10 ADCERO CC[N@H+](C)Cc1cc(OC)ccc1O 132543873 573322386 /nfs/dbraw/zinc/32/23/86/573322386.db2.gz KCFCPQDBCHMEPD-UHFFFAOYSA-N 1 0 195.262 1.853 10 10 ADCERO Nc1ccc(CCC[NH+]2CCC2)cc1 308549709 573327292 /nfs/dbraw/zinc/32/72/92/573327292.db2.gz RFPKDDZYJBKMMH-UHFFFAOYSA-N 1 0 190.290 1.907 10 10 ADCERO C[NH2+][C@@H](CO)c1cc(C)cc(C)c1O 238358617 573332942 /nfs/dbraw/zinc/33/29/42/573332942.db2.gz OZNHPAUKLLMHSF-JTQLQIEISA-N 1 0 195.262 1.262 10 10 ADCERO COC[C@H]([NH3+])c1c(C)cccc1O 238356362 573342795 /nfs/dbraw/zinc/34/27/95/573342795.db2.gz FKFDZBMIYZTXCA-QMMMGPOBSA-N 1 0 181.235 1.347 10 10 ADCERO CCCOc1ccc(C[NH3+])c(O)c1 50273159 573343154 /nfs/dbraw/zinc/34/31/54/573343154.db2.gz JJEUMZACURDTKP-UHFFFAOYSA-N 1 0 181.235 1.640 10 10 ADCERO COc1ccc(N)c([C@@H](C)[NH3+])c1O 238363295 573346506 /nfs/dbraw/zinc/34/65/06/573346506.db2.gz SHOKYEXXOUNERO-RXMQYKEDSA-N 1 0 182.223 1.003 10 10 ADCERO Nc1ccc(CC[NH2+]CCCF)cc1 308556484 573348798 /nfs/dbraw/zinc/34/87/98/573348798.db2.gz SNKMDWXGUHODGT-UHFFFAOYSA-N 1 0 196.269 1.761 10 10 ADCERO COc1ccc(C)c(C2([NH3+])CC2)c1O 214728560 573349259 /nfs/dbraw/zinc/34/92/59/573349259.db2.gz APJCDGDLCZKJCF-UHFFFAOYSA-N 1 0 193.246 1.657 10 10 ADCERO [NH3+]C/C=C/c1ccc(O)c(O)c1F 258006253 573351254 /nfs/dbraw/zinc/35/12/54/573351254.db2.gz HAZHSPBABMFDLS-OWOJBTEDSA-N 1 0 183.182 1.209 10 10 ADCERO C[C@H](O)CCNc1ccc(N)cc1 82991249 573352838 /nfs/dbraw/zinc/35/28/38/573352838.db2.gz DKQHRUFOTMNTAS-QMMMGPOBSA-N 1 0 180.251 1.452 10 10 ADCERO COc1cc(C)c(C[NH3+])c(O)c1F 238366876 573354221 /nfs/dbraw/zinc/35/42/21/573354221.db2.gz REQAZHPEUOKJOY-UHFFFAOYSA-N 1 0 185.198 1.307 10 10 ADCERO C[C@@H]([NH2+]CCF)c1ccc(O)cc1O 308562023 573358292 /nfs/dbraw/zinc/35/82/92/573358292.db2.gz WNGPRMGOFVYLIG-SSDOTTSWSA-N 1 0 199.225 1.718 10 10 ADCERO [NH3+][C@H]1CCCNc2cccc(O)c21 257794983 573359843 /nfs/dbraw/zinc/35/98/43/573359843.db2.gz BUSJSVDMKUGDLQ-ZETCQYMHSA-N 1 0 178.235 1.598 10 10 ADCERO [NH3+][C@@H]1CCCNc2cccc(O)c21 257794981 573360764 /nfs/dbraw/zinc/36/07/64/573360764.db2.gz BUSJSVDMKUGDLQ-SSDOTTSWSA-N 1 0 178.235 1.598 10 10 ADCERO C[NH2+][C@@H](CO)c1cc(F)c(C)cc1O 238361926 573362299 /nfs/dbraw/zinc/36/22/99/573362299.db2.gz DIKMLFAEUDIQNB-VIFPVBQESA-N 1 0 199.225 1.093 10 10 ADCERO COc1ccc(C)c(C(C)(C)[NH3+])c1O 238361664 573362989 /nfs/dbraw/zinc/36/29/89/573362989.db2.gz OPNRHUNEPIDTNN-UHFFFAOYSA-N 1 0 195.262 1.903 10 10 ADCERO Cn1ccc2c(O)c(C[NH3+])ccc21 107125394 573365162 /nfs/dbraw/zinc/36/51/62/573365162.db2.gz HBGYTFIATVZUPD-UHFFFAOYSA-N 1 0 176.219 1.343 10 10 ADCERO COC[C@@H]([NH3+])c1cccc(C)c1O 238380321 573367150 /nfs/dbraw/zinc/36/71/50/573367150.db2.gz AAATUCCVJXQTGH-SECBINFHSA-N 1 0 181.235 1.347 10 10 ADCERO COc1cc(O)c2c(c1O)[C@H]([NH3+])CC2 238372246 573373671 /nfs/dbraw/zinc/37/36/71/573373671.db2.gz IMPUDIGDPAPBCM-ZCFIWIBFSA-N 1 0 195.218 1.052 10 10 ADCERO COc1cc(O)c2c(c1O)[C@@H]([NH3+])CC2 238372293 573374057 /nfs/dbraw/zinc/37/40/57/573374057.db2.gz IMPUDIGDPAPBCM-LURJTMIESA-N 1 0 195.218 1.052 10 10 ADCERO C[C@@](C[NH3+])(CF)c1ccc(O)c(O)c1 107142215 573377258 /nfs/dbraw/zinc/37/72/58/573377258.db2.gz TUPWGXVGSYVERO-JTQLQIEISA-N 1 0 199.225 1.284 10 10 ADCERO COc1cc(O)c2c(c1)OCC[C@H]2[NH3+] 238372721 573377607 /nfs/dbraw/zinc/37/76/07/573377607.db2.gz MAGVJGXOZZQPNJ-SSDOTTSWSA-N 1 0 195.218 1.183 10 10 ADCERO Oc1cc([C@@H]2CC[NH2+]C2)cc(F)c1O 258016852 573378423 /nfs/dbraw/zinc/37/84/23/573378423.db2.gz HWJZOHHHHIVXME-ZCFIWIBFSA-N 1 0 197.209 1.314 10 10 ADCERO COc1cc(O)c2c(c1)CCC[C@H]2[NH3+] 238372700 573380530 /nfs/dbraw/zinc/38/05/30/573380530.db2.gz BBONTLFPDVKCAJ-SECBINFHSA-N 1 0 193.246 1.737 10 10 ADCERO COc1cc(O)c2c(c1)CC[C@@H]2[NH3+] 238372593 573380482 /nfs/dbraw/zinc/38/04/82/573380482.db2.gz VPUSYVRKMNDASQ-QMMMGPOBSA-N 1 0 179.219 1.347 10 10 ADCERO COc1cc(N)c(O)c([C@H](C)[NH3+])c1 238374902 573381497 /nfs/dbraw/zinc/38/14/97/573381497.db2.gz XIUFYCFWYMRXJT-YFKPBYRVSA-N 1 0 182.223 1.003 10 10 ADCERO C[C@H]([NH3+])c1cc2[nH]ccc2cc1O 211713088 573381557 /nfs/dbraw/zinc/38/15/57/573381557.db2.gz DWLUADKYVLYTGU-LURJTMIESA-N 1 0 176.219 1.893 10 10 ADCERO C[C@H]([NH3+])c1cc(N)cc(F)c1O 211717960 573382645 /nfs/dbraw/zinc/38/26/45/573382645.db2.gz CKWDMWGNZVWGDL-BYPYZUCNSA-N 1 0 170.187 1.133 10 10 ADCERO COc1cc(C)cc(O)c1C1([NH3+])CC1 238375109 573385165 /nfs/dbraw/zinc/38/51/65/573385165.db2.gz CLDJWGSUYPIEMB-UHFFFAOYSA-N 1 0 193.246 1.657 10 10 ADCERO COc1cc(C)cc(O)c1C(C)(C)[NH3+] 238375034 573384639 /nfs/dbraw/zinc/38/46/39/573384639.db2.gz CVTAEANKCFLDRB-UHFFFAOYSA-N 1 0 195.262 1.903 10 10 ADCERO COC[C@@H]([NH3+])c1c(C)cc(C)cc1O 238375019 573384854 /nfs/dbraw/zinc/38/48/54/573384854.db2.gz IICMHEKMAOZKFD-SECBINFHSA-N 1 0 195.262 1.655 10 10 ADCERO COc1cc(C)cc(O)c1[C@H](C)[NH3+] 211724090 573387354 /nfs/dbraw/zinc/38/73/54/573387354.db2.gz LRDYKGXBOJKWEH-ZETCQYMHSA-N 1 0 181.235 1.729 10 10 ADCERO C[C@@H](c1ccc(O)c(O)c1)[C@@H](C)[NH3+] 238376319 573387925 /nfs/dbraw/zinc/38/79/25/573387925.db2.gz CUAQNPSFYZGWMR-RNFRBKRXSA-N 1 0 181.235 1.549 10 10 ADCERO COC[C@@H]([NH3+])c1cc(C)cc(C)c1O 238376185 573388249 /nfs/dbraw/zinc/38/82/49/573388249.db2.gz BUBIGFIBMUZRED-SNVBAGLBSA-N 1 0 195.262 1.655 10 10 ADCERO CN1CCC[C@@H]([NH3+])c2c(O)cccc21 257804644 573389711 /nfs/dbraw/zinc/38/97/11/573389711.db2.gz SZONECAEGPYZRD-MRVPVSSYSA-N 1 0 192.262 1.622 10 10 ADCERO COc1ccc(O)c([C@H](C)[NH3+])c1O 238379630 573391259 /nfs/dbraw/zinc/39/12/59/573391259.db2.gz MDFBZTPMRGKWGP-YFKPBYRVSA-N 1 0 183.207 1.126 10 10 ADCERO COc1ccc(O)c([C@@H](C)[NH3+])c1O 238378971 573391770 /nfs/dbraw/zinc/39/17/70/573391770.db2.gz MDFBZTPMRGKWGP-RXMQYKEDSA-N 1 0 183.207 1.126 10 10 ADCERO C[C@@]([NH3+])(c1ccccc1O)C1CC1 107165801 573394475 /nfs/dbraw/zinc/39/44/75/573394475.db2.gz LONPSBKRXIZVOT-NSHDSACASA-N 1 0 177.247 1.976 10 10 ADCERO COC[C@@H]1[NH2+]CCc2cccc(O)c21 257810057 573400691 /nfs/dbraw/zinc/40/06/91/573400691.db2.gz ABFSKXPHRMZIAV-VIFPVBQESA-N 1 0 193.246 1.225 10 10 ADCERO CCC[C@H]([NH3+])c1c(F)ccc(N)c1O 211732949 573400697 /nfs/dbraw/zinc/40/06/97/573400697.db2.gz UNQSMMLSPFCJSQ-ZETCQYMHSA-N 1 0 198.241 1.913 10 10 ADCERO [NH3+][C@@H]1CCSc2cccc(O)c21 107169773 573400757 /nfs/dbraw/zinc/40/07/57/573400757.db2.gz AWJPWXFYVWPJID-ZCFIWIBFSA-N 1 0 181.260 1.888 10 10 ADCERO CC[C@H]([NH3+])c1cc(N)c(F)cc1O 211735077 573400850 /nfs/dbraw/zinc/40/08/50/573400850.db2.gz RVBYBUZBDHKBOA-ZETCQYMHSA-N 1 0 184.214 1.523 10 10 ADCERO C[NH2+][C@@H](C)c1cccc(OC)c1O 107169267 573400931 /nfs/dbraw/zinc/40/09/31/573400931.db2.gz UDIIVLAITWMLSN-ZETCQYMHSA-N 1 0 181.235 1.681 10 10 ADCERO COc1ccc(O)c2c1OCC[C@H]2[NH3+] 238381523 573413330 /nfs/dbraw/zinc/41/33/30/573413330.db2.gz HDRLONKNXHTIAX-ZCFIWIBFSA-N 1 0 195.218 1.183 10 10 ADCERO COc1ccc(O)c2c1CCC[C@H]2[NH3+] 238381502 573413349 /nfs/dbraw/zinc/41/33/49/573413349.db2.gz CYEQKLYYWHJSIN-MRVPVSSYSA-N 1 0 193.246 1.737 10 10 ADCERO COc1ccc(O)c2c1CCC[C@@H]2[NH3+] 238381328 573413631 /nfs/dbraw/zinc/41/36/31/573413631.db2.gz CYEQKLYYWHJSIN-QMMMGPOBSA-N 1 0 193.246 1.737 10 10 ADCERO COc1ccc(O)c2c1CC[C@H]2[NH3+] 238381542 573414176 /nfs/dbraw/zinc/41/41/76/573414176.db2.gz OUGMQRACGCNPOE-SSDOTTSWSA-N 1 0 179.219 1.347 10 10 ADCERO CCC[C@@H](O)[C@H]([NH3+])c1ccccc1O 308579979 573418124 /nfs/dbraw/zinc/41/81/24/573418124.db2.gz JINCWGMBBPJIAR-GHMZBOCLSA-N 1 0 195.262 1.553 10 10 ADCERO C[NH2+][C@@H](C)c1cc(OC)cc(C)c1O 211757536 573422377 /nfs/dbraw/zinc/42/23/77/573422377.db2.gz ZQMJRJYTYIZGSJ-QMMMGPOBSA-N 1 0 195.262 1.990 10 10 ADCERO COc1cc(O)c(C[NH3+])cc1Cl 238391365 573422542 /nfs/dbraw/zinc/42/25/42/573422542.db2.gz OGHOZJONWRJZNW-UHFFFAOYSA-N 1 0 187.626 1.513 10 10 ADCERO [NH3+]C/C=C/c1c(Cl)ccc(O)c1O 258028787 573425660 /nfs/dbraw/zinc/42/56/60/573425660.db2.gz FCYWKDKXTONEHP-OWOJBTEDSA-N 1 0 199.637 1.723 10 10 ADCERO COc1cc(C2([NH3+])CC2)c(O)cc1C 258027667 573425771 /nfs/dbraw/zinc/42/57/71/573425771.db2.gz IRWUAGOQWKPJFH-UHFFFAOYSA-N 1 0 193.246 1.657 10 10 ADCERO Cc1cc(O)c([C@H]2CCC[NH2+]2)cc1O 258027789 573428238 /nfs/dbraw/zinc/42/82/38/573428238.db2.gz IUVGUYHNLKYZBZ-SECBINFHSA-N 1 0 193.246 1.831 10 10 ADCERO COc1cc(O)c([C@H](C)[NH3+])cc1O 238393546 573428537 /nfs/dbraw/zinc/42/85/37/573428537.db2.gz ATNGMGZLXMRURY-YFKPBYRVSA-N 1 0 183.207 1.126 10 10 ADCERO COc1cc(O)c([C@@H](C)[NH3+])cc1O 238393301 573428809 /nfs/dbraw/zinc/42/88/09/573428809.db2.gz ATNGMGZLXMRURY-RXMQYKEDSA-N 1 0 183.207 1.126 10 10 ADCERO Cc1cc(O)c([C@@H]2CCC[NH2+]2)cc1O 258027791 573429293 /nfs/dbraw/zinc/42/92/93/573429293.db2.gz IUVGUYHNLKYZBZ-VIFPVBQESA-N 1 0 193.246 1.831 10 10 ADCERO C[C@@H](C[NH3+])c1cc(O)c(O)c(F)c1 258030196 573429612 /nfs/dbraw/zinc/42/96/12/573429612.db2.gz IWKGRUKJQDUHRE-YFKPBYRVSA-N 1 0 185.198 1.299 10 10 ADCERO C[NH+](C)[C@@H]1CCOc2cccc(O)c21 257812309 573431759 /nfs/dbraw/zinc/43/17/59/573431759.db2.gz BRJHJLUQEIRICI-MRVPVSSYSA-N 1 0 193.246 1.777 10 10 ADCERO C[NH2+][C@H]1CCNc2cccc(O)c21 257812060 573432591 /nfs/dbraw/zinc/43/25/91/573432591.db2.gz BKXFBSOZTCHHMG-ZETCQYMHSA-N 1 0 178.235 1.468 10 10 ADCERO Cc1ccc(C2(C[NH3+])CC2)c(O)c1O 258030262 573435568 /nfs/dbraw/zinc/43/55/68/573435568.db2.gz IXZLVEMDSVWNNG-UHFFFAOYSA-N 1 0 193.246 1.397 10 10 ADCERO C[C@@]1(c2ccccc2O)CC[NH2+]1 258345010 573437731 /nfs/dbraw/zinc/43/77/31/573437731.db2.gz VQNYRSDWJFEOJW-JTQLQIEISA-N 1 0 163.220 1.601 10 10 ADCERO COc1cc(O)cc([C@@H](C)[NH3+])c1O 238395325 573437808 /nfs/dbraw/zinc/43/78/08/573437808.db2.gz WKVCQJAGFVXMAW-RXMQYKEDSA-N 1 0 183.207 1.126 10 10 ADCERO Oc1cc([C@H]2CCC[NH2+]2)cc(F)c1O 258021704 573438816 /nfs/dbraw/zinc/43/88/16/573438816.db2.gz IHPITRHSPJYSOM-MRVPVSSYSA-N 1 0 197.209 1.661 10 10 ADCERO C[NH+](C)[C@@H]1CCNc2cccc(O)c21 257813304 573438863 /nfs/dbraw/zinc/43/88/63/573438863.db2.gz CBPWGJSNMPMREL-SECBINFHSA-N 1 0 192.262 1.811 10 10 ADCERO Oc1ccccc1[C@@]12CC[C@@H](C[NH2+]1)C2 258020618 573439157 /nfs/dbraw/zinc/43/91/57/573439157.db2.gz FRLRQDJEYKQBGM-SKDRFNHKSA-N 1 0 189.258 1.991 10 10 ADCERO C[C@@H]([NH3+])[C@H](C)c1ccc(O)c(O)c1 238395558 573440153 /nfs/dbraw/zinc/44/01/53/573440153.db2.gz CUAQNPSFYZGWMR-NKWVEPMBSA-N 1 0 181.235 1.549 10 10 ADCERO COC(=O)c1ccc([C@@H](C)[NH3+])c(O)c1 238397949 573441206 /nfs/dbraw/zinc/44/12/06/573441206.db2.gz ROPDFCQSOONXFS-ZCFIWIBFSA-N 1 0 195.218 1.199 10 10 ADCERO Nc1ccc(NCCC[NH3+])cc1 144243862 573442401 /nfs/dbraw/zinc/44/24/01/573442401.db2.gz BBTXLQCRYVJFBM-UHFFFAOYSA-N 1 0 165.240 1.030 10 10 ADCERO Cc1cc(CCC[NH3+])cc(O)c1O 258037673 573442774 /nfs/dbraw/zinc/44/27/74/573442774.db2.gz PULFVQXDDIFXOZ-UHFFFAOYSA-N 1 0 181.235 1.298 10 10 ADCERO COc1ccc([C@@H](C)[NH3+])c(O)c1O 238397071 573442899 /nfs/dbraw/zinc/44/28/99/573442899.db2.gz LDPLXWVEUNLBKP-RXMQYKEDSA-N 1 0 183.207 1.126 10 10 ADCERO [NH3+]Cc1ccc(N2CC(F)C2)cc1 257816269 573448724 /nfs/dbraw/zinc/44/87/24/573448724.db2.gz DEJCBGRLZXUPGE-UHFFFAOYSA-N 1 0 180.226 1.303 10 10 ADCERO [NH3+]Cc1ccc(N2CC[C@@H](F)C2)cc1 107260402 573449306 /nfs/dbraw/zinc/44/93/06/573449306.db2.gz WDVJOTVURLPISV-SNVBAGLBSA-N 1 0 194.253 1.694 10 10 ADCERO C[NH2+][C@@H](CO)c1ccc(C)c(C)c1O 211763557 573450319 /nfs/dbraw/zinc/45/03/19/573450319.db2.gz PEGRXUSRLXMGDX-JTQLQIEISA-N 1 0 195.262 1.262 10 10 ADCERO Oc1ccccc1[C@@]12CC[C@@H](C1)[NH2+]2 258347093 573451083 /nfs/dbraw/zinc/45/10/83/573451083.db2.gz VULXJBWTOWDEHG-GZMMTYOYSA-N 1 0 175.231 1.743 10 10 ADCERO [NH3+]Cc1ccc(N2CC[C@H](F)C2)cc1 107260398 573453089 /nfs/dbraw/zinc/45/30/89/573453089.db2.gz WDVJOTVURLPISV-JTQLQIEISA-N 1 0 194.253 1.694 10 10 ADCERO COc1cc(OC)c(O)c([C@H](C)[NH3+])c1 211783749 573462178 /nfs/dbraw/zinc/46/21/78/573462178.db2.gz BOKDEGHJZUSVHZ-LURJTMIESA-N 1 0 197.234 1.429 10 10 ADCERO [NH3+]C1(c2ccc3c(c2O)CCC3)CC1 258033250 573463267 /nfs/dbraw/zinc/46/32/67/573463267.db2.gz JCTXVUYKUUIZLF-UHFFFAOYSA-N 1 0 189.258 1.829 10 10 ADCERO C[NH2+][C@@H](C)c1cc(O)c(O)c(O)c1 211790262 573463307 /nfs/dbraw/zinc/46/33/07/573463307.db2.gz UNDYXWLSMSTSHS-YFKPBYRVSA-N 1 0 183.207 1.084 10 10 ADCERO Cc1cc(C(C)(C)[NH3+])c(F)c(O)c1O 258037378 573466828 /nfs/dbraw/zinc/46/68/28/573466828.db2.gz FUDDGQJTSRTGST-UHFFFAOYSA-N 1 0 199.225 1.739 10 10 ADCERO C[C@H]1CNc2cc(C[NH3+])ccc2N1C 258395142 573466890 /nfs/dbraw/zinc/46/68/90/573466890.db2.gz BLBLOIQAPGJVSK-QMMMGPOBSA-N 1 0 191.278 1.396 10 10 ADCERO C[C@@H]([NH3+])c1c([O-])c(F)cc(F)c1F 258045224 573476150 /nfs/dbraw/zinc/47/61/50/573476150.db2.gz KDTWRDKQEAIYJE-GSVOUGTGSA-N 1 0 191.152 1.829 10 10 ADCERO COC[C@@H]1C[NH2+]Cc2c(O)cccc21 257818320 573476395 /nfs/dbraw/zinc/47/63/95/573476395.db2.gz FCQNDMOGTDSHQB-QMMMGPOBSA-N 1 0 193.246 1.225 10 10 ADCERO C[C@@H]([NH3+])c1c(F)ccc(O)c1O 238414363 573477040 /nfs/dbraw/zinc/47/70/40/573477040.db2.gz BDQLOZDSLGFKKQ-SCSAIBSYSA-N 1 0 171.171 1.257 10 10 ADCERO COC[C@H]1C[NH2+]Cc2c(O)cccc21 257818319 573477051 /nfs/dbraw/zinc/47/70/51/573477051.db2.gz FCQNDMOGTDSHQB-MRVPVSSYSA-N 1 0 193.246 1.225 10 10 ADCERO Cc1cc(C)c(O)c([C@H]([NH3+])[C@@H](C)O)c1 238415450 573484531 /nfs/dbraw/zinc/48/45/31/573484531.db2.gz IMLWTYYEGIVXQN-PSASIEDQSA-N 1 0 195.262 1.390 10 10 ADCERO Cc1cc([C@H](C)[NH3+])c(O)c(O)c1C 238416400 573487070 /nfs/dbraw/zinc/48/70/70/573487070.db2.gz VBMVKYSAGWFKTP-ZETCQYMHSA-N 1 0 181.235 1.734 10 10 ADCERO C/C(=C/CC[NH3+])c1nccn1C 86570800 573487252 /nfs/dbraw/zinc/48/72/52/573487252.db2.gz UBGLNPVRKFWIMN-YWEYNIOJSA-N 1 0 165.240 1.172 10 10 ADCERO Cc1ccc(C[C@H](C)[NH3+])c(O)c1O 258039748 573487331 /nfs/dbraw/zinc/48/73/31/573487331.db2.gz QCLJXOHPYMARAD-ZETCQYMHSA-N 1 0 181.235 1.296 10 10 ADCERO Cc1cc([C@H](C)[NH3+])c(O)c(N)c1C 238416382 573487448 /nfs/dbraw/zinc/48/74/48/573487448.db2.gz UPRUDNWXXGUXFI-ZETCQYMHSA-N 1 0 180.251 1.611 10 10 ADCERO C[C@@H]([NH3+])c1c(O)cc(O)cc1F 238416071 573487902 /nfs/dbraw/zinc/48/79/02/573487902.db2.gz YNAKWEFHZUQMTB-SCSAIBSYSA-N 1 0 171.171 1.257 10 10 ADCERO Cc1cc(O)c(O)cc1CC1([NH3+])CC1 257819899 573488514 /nfs/dbraw/zinc/48/85/14/573488514.db2.gz DDLSKXBJGUYUSD-UHFFFAOYSA-N 1 0 193.246 1.440 10 10 ADCERO Cc1cc(O)c([C@H]([NH3+])[C@@H](C)O)cc1F 238416642 573488595 /nfs/dbraw/zinc/48/85/95/573488595.db2.gz GFGUONWHLPBQKX-LHLIQPBNSA-N 1 0 199.225 1.220 10 10 ADCERO C[NH2+][C@@H](C)c1ccc(N(C)C)cc1O 86569692 573489390 /nfs/dbraw/zinc/48/93/90/573489390.db2.gz HKQHPSSVSCKZPT-QMMMGPOBSA-N 1 0 194.278 1.739 10 10 ADCERO Cc1cc(O)c(O)c([C@H](C)[NH3+])c1 238416875 573489814 /nfs/dbraw/zinc/48/98/14/573489814.db2.gz NIMIWSPUQONIJV-LURJTMIESA-N 1 0 167.208 1.426 10 10 ADCERO [NH3+]C1(c2cccc(O)c2O)CCC1 258039705 573489839 /nfs/dbraw/zinc/48/98/39/573489839.db2.gz QATDQABBUFOOKU-UHFFFAOYSA-N 1 0 179.219 1.436 10 10 ADCERO C[C@@H]([NH3+])c1c(O)cc(N)cc1F 238416046 573490063 /nfs/dbraw/zinc/49/00/63/573490063.db2.gz SNWCRBDORGUMRS-SCSAIBSYSA-N 1 0 170.187 1.133 10 10 ADCERO CCN(C)c1ccc([C@@H](C)[NH3+])c(O)c1 86569698 573490492 /nfs/dbraw/zinc/49/04/92/573490492.db2.gz PYLQKAPMUKWNSH-MRVPVSSYSA-N 1 0 194.278 1.868 10 10 ADCERO C[C@H]([NH3+])c1ccc(N(C)C)cc1O 86569690 573491639 /nfs/dbraw/zinc/49/16/39/573491639.db2.gz RSVJMGOZSIHYJO-ZETCQYMHSA-N 1 0 180.251 1.478 10 10 ADCERO C[NH2+]CCc1cc(O)c(O)c(C)c1C 258042518 573491706 /nfs/dbraw/zinc/49/17/06/573491706.db2.gz JYXIZFWLUOEINC-UHFFFAOYSA-N 1 0 195.262 1.477 10 10 ADCERO [NH3+]CCCCc1cc(O)c(O)c(F)c1 258040815 573491831 /nfs/dbraw/zinc/49/18/31/573491831.db2.gz GBGCNPMDGNHABP-UHFFFAOYSA-N 1 0 199.225 1.518 10 10 ADCERO Cc1cc([C@H](C)[NH3+])c(F)c(O)c1O 258042466 573496473 /nfs/dbraw/zinc/49/64/73/573496473.db2.gz JXEDNASMKAFPQJ-YFKPBYRVSA-N 1 0 185.198 1.565 10 10 ADCERO C[C@@H](O)[C@@H]([NH3+])c1cc([S-])ccc1O 238418495 573499431 /nfs/dbraw/zinc/49/94/31/573499431.db2.gz QACOYJDBZJISMM-MLUIRONXSA-N 1 0 199.275 1.062 10 10 ADCERO COc1ccc(N(C)C)cc1[C@@H](C)[NH3+] 258047636 573502039 /nfs/dbraw/zinc/50/20/39/573502039.db2.gz KGSMLKWUNPQLIW-MRVPVSSYSA-N 1 0 194.278 1.781 10 10 ADCERO Cc1cc([C@@H](C)[NH3+])c(O)c(O)c1C 238418552 573502547 /nfs/dbraw/zinc/50/25/47/573502547.db2.gz VBMVKYSAGWFKTP-SSDOTTSWSA-N 1 0 181.235 1.734 10 10 ADCERO Cc1cc(O)c(O)c([C@@H](C)[NH3+])c1 238418945 573504719 /nfs/dbraw/zinc/50/47/19/573504719.db2.gz NIMIWSPUQONIJV-ZCFIWIBFSA-N 1 0 167.208 1.426 10 10 ADCERO C[C@H]([NH3+])c1cc(F)cc(O)c1O 238420050 573503924 /nfs/dbraw/zinc/50/39/24/573503924.db2.gz KLCZYLJPZIKMJH-BYPYZUCNSA-N 1 0 171.171 1.257 10 10 ADCERO Cc1ccc([C@H](C)C[NH3+])c(O)c1O 258048245 573504142 /nfs/dbraw/zinc/50/41/42/573504142.db2.gz QXNJSQXIPJLFRL-SSDOTTSWSA-N 1 0 181.235 1.468 10 10 ADCERO C[C@@H]([NH3+])c1cc(Cl)c(N)cc1O 238419991 573505882 /nfs/dbraw/zinc/50/58/82/573505882.db2.gz BPBYOWJEOXIABF-SCSAIBSYSA-N 1 0 186.642 1.648 10 10 ADCERO C[C@@H]([NH3+])c1cc(Cl)c(O)cc1O 238420013 573507454 /nfs/dbraw/zinc/50/74/54/573507454.db2.gz VYGJLVASTCVAMH-SCSAIBSYSA-N 1 0 187.626 1.771 10 10 ADCERO Cc1cc(N)cc([C@H](C)[NH3+])c1O 238422558 573511871 /nfs/dbraw/zinc/51/18/71/573511871.db2.gz MXDHFXCOCIJTAV-LURJTMIESA-N 1 0 166.224 1.303 10 10 ADCERO C[C@@H]([NH3+])c1cc(Cl)cc(N)c1O 238420281 573511079 /nfs/dbraw/zinc/51/10/79/573511079.db2.gz XAHZLSYMDNMBHX-SCSAIBSYSA-N 1 0 186.642 1.648 10 10 ADCERO COc1cc(C)c2c(c1O)C[NH2+]CC2 257821971 573511786 /nfs/dbraw/zinc/51/17/86/573511786.db2.gz GFOLEANMWIHHGJ-UHFFFAOYSA-N 1 0 193.246 1.355 10 10 ADCERO C[C@H]([NH3+])C1=CC(=O)CS1 238423336 573513133 /nfs/dbraw/zinc/51/31/33/573513133.db2.gz PTEDCGOFYFMPLE-BYPYZUCNSA-N 1 0 143.211 1.473 10 10 ADCERO COC[C@H]1Cc2cccc(O)c2C[NH2+]1 257823769 573513472 /nfs/dbraw/zinc/51/34/72/573513472.db2.gz GRGXOWDYZPJIGO-SECBINFHSA-N 1 0 193.246 1.053 10 10 ADCERO Cc1c(N)cc([C@H](C)[NH3+])c(O)c1C 238422349 573513509 /nfs/dbraw/zinc/51/35/09/573513509.db2.gz JYPLDGSEDDSKCL-ZETCQYMHSA-N 1 0 180.251 1.611 10 10 ADCERO Cc1c(N)cc([C@@H](C)[NH3+])c(O)c1C 238424469 573517887 /nfs/dbraw/zinc/51/78/87/573517887.db2.gz JYPLDGSEDDSKCL-SSDOTTSWSA-N 1 0 180.251 1.611 10 10 ADCERO C[C@H]([NH3+])c1cc(O)cc(F)c1O 238423148 573514952 /nfs/dbraw/zinc/51/49/52/573514952.db2.gz PQICVJOUSRBVCK-BYPYZUCNSA-N 1 0 171.171 1.257 10 10 ADCERO CC(C)(O)CNc1ccc(N)cc1 83461440 573515248 /nfs/dbraw/zinc/51/52/48/573515248.db2.gz HEEWMARZQAFRMF-UHFFFAOYSA-N 1 0 180.251 1.452 10 10 ADCERO Cc1cc(O)c([C@H](C)[NH3+])cc1O 238422851 573516341 /nfs/dbraw/zinc/51/63/41/573516341.db2.gz HIQOMUWVXDEFCK-LURJTMIESA-N 1 0 167.208 1.426 10 10 ADCERO CC[C@@](C)(O)CNc1ccc(N)cc1 83461641 573516434 /nfs/dbraw/zinc/51/64/34/573516434.db2.gz HYFHGSHFVSQQLK-LLVKDONJSA-N 1 0 194.278 1.842 10 10 ADCERO CC[C@](C)(O)CNc1ccc(N)cc1 83461639 573516708 /nfs/dbraw/zinc/51/67/08/573516708.db2.gz HYFHGSHFVSQQLK-NSHDSACASA-N 1 0 194.278 1.842 10 10 ADCERO C[C@@H]([NH3+])c1cc(N)c(Cl)cc1O 238424499 573516945 /nfs/dbraw/zinc/51/69/45/573516945.db2.gz RNZDJVDZMLHDGD-SCSAIBSYSA-N 1 0 186.642 1.648 10 10 ADCERO Cc1c(O)cc([C@@H](C)[NH3+])c(O)c1C 238424892 573523298 /nfs/dbraw/zinc/52/32/98/573523298.db2.gz FKXKKVZXCJLXQC-SSDOTTSWSA-N 1 0 181.235 1.734 10 10 ADCERO Cc1cc(O)c(O)cc1[C@H](C)[NH3+] 257826749 573523078 /nfs/dbraw/zinc/52/30/78/573523078.db2.gz HKIJBMIEGWSANM-LURJTMIESA-N 1 0 167.208 1.426 10 10 ADCERO Cc1cc(O)c([C@@H](C)[NH3+])cc1O 238424908 573524587 /nfs/dbraw/zinc/52/45/87/573524587.db2.gz HIQOMUWVXDEFCK-ZCFIWIBFSA-N 1 0 167.208 1.426 10 10 ADCERO C[NH2+]Cc1ccc(C)c(C)c1O 107329020 573524771 /nfs/dbraw/zinc/52/47/71/573524771.db2.gz FBSDMKZTYZTTIR-UHFFFAOYSA-N 1 0 165.236 1.728 10 10 ADCERO COC[C@@H]1C[NH2+][C@H]1c1ccccc1O 257827105 573524859 /nfs/dbraw/zinc/52/48/59/573524859.db2.gz HUMCDXQFDQCQFM-GZMMTYOYSA-N 1 0 193.246 1.299 10 10 ADCERO COC[C@H]1C[NH2+][C@@H]1c1ccccc1O 257827106 573525470 /nfs/dbraw/zinc/52/54/70/573525470.db2.gz HUMCDXQFDQCQFM-KCJUWKMLSA-N 1 0 193.246 1.299 10 10 ADCERO CCc1cccc(C[NH2+]C)c1O 107329024 573525543 /nfs/dbraw/zinc/52/55/43/573525543.db2.gz YBDOYPHXXLMYCT-UHFFFAOYSA-N 1 0 165.236 1.674 10 10 ADCERO C[C@@H]([NH3+])c1cc(O)cc(F)c1O 238425116 573525548 /nfs/dbraw/zinc/52/55/48/573525548.db2.gz PQICVJOUSRBVCK-SCSAIBSYSA-N 1 0 171.171 1.257 10 10 ADCERO COC[C@H]1C[NH2+][C@H]1c1ccccc1O 257827108 573525882 /nfs/dbraw/zinc/52/58/82/573525882.db2.gz HUMCDXQFDQCQFM-LDYMZIIASA-N 1 0 193.246 1.299 10 10 ADCERO CO[C@@H]1CC[NH2+][C@H]1c1ccccc1O 257828058 573527368 /nfs/dbraw/zinc/52/73/68/573527368.db2.gz IFMHTLYLSLMLLT-MNOVXSKESA-N 1 0 193.246 1.442 10 10 ADCERO Cc1cc([C@H](C)[NH3+])cc(O)c1O 258058297 573529916 /nfs/dbraw/zinc/52/99/16/573529916.db2.gz SIBMUDMGEYFWBA-LURJTMIESA-N 1 0 167.208 1.426 10 10 ADCERO Cc1cc([C@@H](C)[NH3+])cc(O)c1O 258058300 573530823 /nfs/dbraw/zinc/53/08/23/573530823.db2.gz SIBMUDMGEYFWBA-ZCFIWIBFSA-N 1 0 167.208 1.426 10 10 ADCERO C[NH2+]Cc1ccc(F)c(F)c1[O-] 107333320 573527822 /nfs/dbraw/zinc/52/78/22/573527822.db2.gz BOQOHVGMAPOBKN-UHFFFAOYSA-N 1 0 173.162 1.390 10 10 ADCERO CO[C@H]1CC[NH2+][C@@H]1c1ccccc1O 257828060 573527844 /nfs/dbraw/zinc/52/78/44/573527844.db2.gz IFMHTLYLSLMLLT-WDEREUQCSA-N 1 0 193.246 1.442 10 10 ADCERO C[NH2+]CCc1cc(O)c(O)cc1C 257827754 573528563 /nfs/dbraw/zinc/52/85/63/573528563.db2.gz HWBOFSNPXGCNFP-UHFFFAOYSA-N 1 0 181.235 1.168 10 10 ADCERO CO[C@H]1CC[NH2+][C@H]1c1ccccc1O 257828059 573528746 /nfs/dbraw/zinc/52/87/46/573528746.db2.gz IFMHTLYLSLMLLT-QWRGUYRKSA-N 1 0 193.246 1.442 10 10 ADCERO CO[C@@H]1CC[NH2+][C@@H]1c1ccccc1O 257828057 573529040 /nfs/dbraw/zinc/52/90/40/573529040.db2.gz IFMHTLYLSLMLLT-GHMZBOCLSA-N 1 0 193.246 1.442 10 10 ADCERO C[C@H]([NH3+])c1ccc(N)c(F)c1O 238427667 573529042 /nfs/dbraw/zinc/52/90/42/573529042.db2.gz XGHXCLRIQRRZJM-BYPYZUCNSA-N 1 0 170.187 1.133 10 10 ADCERO C[C@@H]([NH3+])c1ccc(O)c(O)c1F 258052411 573529333 /nfs/dbraw/zinc/52/93/33/573529333.db2.gz RPOYFESAJRUAQN-SCSAIBSYSA-N 1 0 171.171 1.257 10 10 ADCERO C[NH2+]Cc1cc(F)cc(F)c1[O-] 107333316 573529800 /nfs/dbraw/zinc/52/98/00/573529800.db2.gz STTNLRYMOIBCMN-UHFFFAOYSA-N 1 0 173.162 1.390 10 10 ADCERO C[C@H]([NH3+])c1ccc(O)c(O)c1F 258052408 573529825 /nfs/dbraw/zinc/52/98/25/573529825.db2.gz RPOYFESAJRUAQN-BYPYZUCNSA-N 1 0 171.171 1.257 10 10 ADCERO C[NH2+]Cc1cc(F)c(F)cc1[O-] 107333311 573531250 /nfs/dbraw/zinc/53/12/50/573531250.db2.gz PBSYJSJWXOTRIA-UHFFFAOYSA-N 1 0 173.162 1.390 10 10 ADCERO Oc1ccc2c(c1O)C[NH2+]C21CC1 257828187 573532956 /nfs/dbraw/zinc/53/29/56/573532956.db2.gz IHIKLQMTZNHWBM-UHFFFAOYSA-N 1 0 177.203 1.190 10 10 ADCERO C[NH2+]CCCc1cc(O)c(O)cc1C 257828364 573536086 /nfs/dbraw/zinc/53/60/86/573536086.db2.gz IJSVIGHPCRIRKZ-UHFFFAOYSA-N 1 0 195.262 1.558 10 10 ADCERO C[NH2+]CCc1cc(C)c(C)c(O)c1O 258056340 573539269 /nfs/dbraw/zinc/53/92/69/573539269.db2.gz LBUYADXKGXCOOR-UHFFFAOYSA-N 1 0 195.262 1.477 10 10 ADCERO C[NH2+]Cc1cc(F)c(Cl)cc1[O-] 107350567 573539359 /nfs/dbraw/zinc/53/93/59/573539359.db2.gz QVXLLZJBMVSJLX-UHFFFAOYSA-N 1 0 189.617 1.904 10 10 ADCERO COc1c(O)ccc(O)c1[C@@H](C)[NH3+] 238435401 573540533 /nfs/dbraw/zinc/54/05/33/573540533.db2.gz QURLPYJHOFSZFG-RXMQYKEDSA-N 1 0 183.207 1.126 10 10 ADCERO COc1c(O)cc(O)c2c1CC[C@@H]2[NH3+] 238434813 573543655 /nfs/dbraw/zinc/54/36/55/573543655.db2.gz XPBORBFQTXLPHF-LURJTMIESA-N 1 0 195.218 1.052 10 10 ADCERO C[C@H]([NH3+])C1=CSCC1=O 238436401 573547628 /nfs/dbraw/zinc/54/76/28/573547628.db2.gz CYFZMLAXZPJBTM-BYPYZUCNSA-N 1 0 143.211 1.473 10 10 ADCERO CC(C)[C@@H](O)[C@@H]([NH3+])c1ccccc1O 95645365 573547780 /nfs/dbraw/zinc/54/77/80/573547780.db2.gz KEPGTACUZNSALI-WDEREUQCSA-N 1 0 195.262 1.409 10 10 ADCERO C=Cc1ccc(O)c([C@](C)([NH3+])CO)c1 238437528 573552278 /nfs/dbraw/zinc/55/22/78/573552278.db2.gz WYNJXDNNCQQQKT-LLVKDONJSA-N 1 0 193.246 1.201 10 10 ADCERO C[NH2+]Cc1cc(O)c(O)cc1C 257830042 573554167 /nfs/dbraw/zinc/55/41/67/573554167.db2.gz JDDDAVKNOXUEBB-UHFFFAOYSA-N 1 0 167.208 1.126 10 10 ADCERO [NH3+]CC1(c2cccc(O)c2O)CC1 258060329 573556524 /nfs/dbraw/zinc/55/65/24/573556524.db2.gz SMNCWSCHBXTQQJ-UHFFFAOYSA-N 1 0 179.219 1.088 10 10 ADCERO CC(C)([NH3+])Cc1ccc(O)c(O)c1F 258061565 573558519 /nfs/dbraw/zinc/55/85/19/573558519.db2.gz HMTGPDSFUMZMHN-UHFFFAOYSA-N 1 0 199.225 1.517 10 10 ADCERO CC1C[NH+](CCc2ccc(N)cc2)C1 86678151 573562403 /nfs/dbraw/zinc/56/24/03/573562403.db2.gz PSWXWDLAVDZYJD-UHFFFAOYSA-N 1 0 190.290 1.763 10 10 ADCERO C[NH2+]CNCc1ccc(OC)c(C)c1 258780613 573566695 /nfs/dbraw/zinc/56/66/95/573566695.db2.gz BNVIAWAOHJPFCD-UHFFFAOYSA-N 1 0 194.278 1.270 10 10 ADCERO C[C@H]1CCN1c1ccc(C[NH3+])cc1 86681733 573568117 /nfs/dbraw/zinc/56/81/17/573568117.db2.gz OGSLUKNXPACDQI-VIFPVBQESA-N 1 0 176.263 1.744 10 10 ADCERO COc1ccc(C)c([C@H]2CC[NH2+]2)c1O 95784541 573569345 /nfs/dbraw/zinc/56/93/45/573569345.db2.gz PMNKIOXONVMBNG-MRVPVSSYSA-N 1 0 193.246 1.744 10 10 ADCERO COc1c(C)cc2c(c1O)C[N@@H+](C)C2 238444141 573570927 /nfs/dbraw/zinc/57/09/27/573570927.db2.gz GKDPWPNOFKBYAG-UHFFFAOYSA-N 1 0 193.246 1.655 10 10 ADCERO C[C@H]1C[NH2+][C@H](c2ccc(O)c(O)c2)C1 238445114 573576641 /nfs/dbraw/zinc/57/66/41/573576641.db2.gz GUMREPMMBIOQNY-APPZFPTMSA-N 1 0 193.246 1.768 10 10 ADCERO C[C@H]1C[NH2+][C@](C)(c2ccccc2O)O1 238445620 573578288 /nfs/dbraw/zinc/57/82/88/573578288.db2.gz PQYCAMIXFUDNRW-KWQFWETISA-N 1 0 193.246 1.573 10 10 ADCERO C[C@H]1CO[C@](C)(c2ccccc2O)[NH2+]1 258503120 573580180 /nfs/dbraw/zinc/58/01/80/573580180.db2.gz MFKUJYCFJLXPBP-GZMMTYOYSA-N 1 0 193.246 1.573 10 10 ADCERO Nc1ccc(C[NH+]2CC3(CC3)C2)cc1 86687974 573580619 /nfs/dbraw/zinc/58/06/19/573580619.db2.gz DGMZAMRDAFKKSS-UHFFFAOYSA-N 1 0 188.274 1.865 10 10 ADCERO C[C@H]1CC[N@@H+]1Cc1ccc(N)cc1 86687977 573580636 /nfs/dbraw/zinc/58/06/36/573580636.db2.gz PGXSTZYHPQCXMT-VIFPVBQESA-N 1 0 176.263 1.863 10 10 ADCERO C[C@@H]1CC[N@@H+]1Cc1ccc(N)cc1 86687976 573580886 /nfs/dbraw/zinc/58/08/86/573580886.db2.gz PGXSTZYHPQCXMT-SECBINFHSA-N 1 0 176.263 1.863 10 10 ADCERO C[C@H]([NH3+])c1cc2ccc[nH]c-2cc1=O 238440600 573581852 /nfs/dbraw/zinc/58/18/52/573581852.db2.gz JPBPEKOKJGIJBO-ZETCQYMHSA-N 1 0 188.230 1.960 10 10 ADCERO C[C@H]1C[NH2+][C@@](C)(c2ccccc2O)O1 238443788 573589812 /nfs/dbraw/zinc/58/98/12/573589812.db2.gz PQYCAMIXFUDNRW-GZMMTYOYSA-N 1 0 193.246 1.573 10 10 ADCERO CCOc1ccc(N(C)C[NH3+])cc1 258808647 573590991 /nfs/dbraw/zinc/59/09/91/573590991.db2.gz FBBIRUIULWHGAJ-UHFFFAOYSA-N 1 0 180.251 1.438 10 10 ADCERO C[C@H]1C[NH2+][C@@H](c2ccc(O)c(O)c2)C1 238443321 573591086 /nfs/dbraw/zinc/59/10/86/573591086.db2.gz GUMREPMMBIOQNY-VXNVDRBHSA-N 1 0 193.246 1.768 10 10 ADCERO Cc1ccc(C)c([C@@H]([NH3+])CF)c1O 238455556 573594928 /nfs/dbraw/zinc/59/49/28/573594928.db2.gz QBKJUZPRIZKDJG-QMMMGPOBSA-N 1 0 183.226 1.978 10 10 ADCERO Cc1ccc(C)c([C@H]([NH3+])CF)c1O 238456089 573596585 /nfs/dbraw/zinc/59/65/85/573596585.db2.gz QBKJUZPRIZKDJG-MRVPVSSYSA-N 1 0 183.226 1.978 10 10 ADCERO C[C@@H]1C[NH2+][C@](C)(c2ccccc2O)O1 238456982 573599034 /nfs/dbraw/zinc/59/90/34/573599034.db2.gz PQYCAMIXFUDNRW-KCJUWKMLSA-N 1 0 193.246 1.573 10 10 ADCERO Cc1ccc(O)c([C@@H]([NH3+])C(F)F)c1 238457396 573601420 /nfs/dbraw/zinc/60/14/20/573601420.db2.gz XPTRXJGUAHEJAM-MRVPVSSYSA-N 1 0 187.189 1.966 10 10 ADCERO COc1ccc(N(C)C[NH3+])cc1F 258814888 573601503 /nfs/dbraw/zinc/60/15/03/573601503.db2.gz FRHOXIUSBJUVEO-UHFFFAOYSA-N 1 0 184.214 1.187 10 10 ADCERO COc1c(O)cc2c(c1O)[C@@H]([NH3+])CC2 238449935 573614714 /nfs/dbraw/zinc/61/47/14/573614714.db2.gz IWAPWAJVMMXAMG-LURJTMIESA-N 1 0 195.218 1.052 10 10 ADCERO Cc1cc(O)c(C[NH3+])cc1F 211958103 573615577 /nfs/dbraw/zinc/61/55/77/573615577.db2.gz GCJZLZQHVXTGPC-UHFFFAOYSA-N 1 0 155.172 1.298 10 10 ADCERO CC1CC([NH3+])(c2ccccc2O)C1 259530648 573618720 /nfs/dbraw/zinc/61/87/20/573618720.db2.gz BCKKXHQNKDRMSM-UHFFFAOYSA-N 1 0 177.247 1.976 10 10 ADCERO Cc1ccc(O)c(C[NH3+])c1F 211957998 573619626 /nfs/dbraw/zinc/61/96/26/573619626.db2.gz OKYMWMLUHVTHRS-UHFFFAOYSA-N 1 0 155.172 1.298 10 10 ADCERO Cc1cc(O)c([C@@H]([NH3+])[C@@H](C)O)cc1F 238453660 573626216 /nfs/dbraw/zinc/62/62/16/573626216.db2.gz GFGUONWHLPBQKX-LDWIPMOCSA-N 1 0 199.225 1.220 10 10 ADCERO C=Cc1ccc(O)c([C@@H]([NH3+])[C@@H](C)O)c1 238453128 573627853 /nfs/dbraw/zinc/62/78/53/573627853.db2.gz CHTZHNYVQJACKT-HQJQHLMTSA-N 1 0 193.246 1.416 10 10 ADCERO Cc1ccc(O)c2c1OCC[C@@H]2[NH3+] 238459086 573631333 /nfs/dbraw/zinc/63/13/33/573631333.db2.gz QJEXUXMJHQIQFF-ZETCQYMHSA-N 1 0 179.219 1.483 10 10 ADCERO C[NH2+]Cc1ccc(O)c(C)c1O 211974952 573633039 /nfs/dbraw/zinc/63/30/39/573633039.db2.gz AMCOTEDSGULNQM-UHFFFAOYSA-N 1 0 167.208 1.126 10 10 ADCERO Cc1ccc(O)c2c1OC[C@H]2[NH3+] 238459195 573633408 /nfs/dbraw/zinc/63/34/08/573633408.db2.gz AMNZVQATCMOPFF-ZCFIWIBFSA-N 1 0 165.192 1.093 10 10 ADCERO Cc1ccc(O)c2c1OCC[C@H]2[NH3+] 238459163 573633430 /nfs/dbraw/zinc/63/34/30/573633430.db2.gz QJEXUXMJHQIQFF-SSDOTTSWSA-N 1 0 179.219 1.483 10 10 ADCERO C[NH2+]C[C@@](C)(F)c1ccc(O)c(O)c1 257834783 573633822 /nfs/dbraw/zinc/63/38/22/573633822.db2.gz LMFFKIJWBPIXES-SNVBAGLBSA-N 1 0 199.225 1.502 10 10 ADCERO COC[NH2+]Cc1ccc(OC)c(C)c1 259145246 573635673 /nfs/dbraw/zinc/63/56/73/573635673.db2.gz RUMQFLPGEMWSSN-UHFFFAOYSA-N 1 0 195.262 1.697 10 10 ADCERO C[NH2+]C[C@](C)(F)c1ccc(O)c(O)c1 257834782 573636701 /nfs/dbraw/zinc/63/67/01/573636701.db2.gz LMFFKIJWBPIXES-JTQLQIEISA-N 1 0 199.225 1.502 10 10 ADCERO Nc1ccc(N2C=[NH+]CC2)cc1 211969769 573637111 /nfs/dbraw/zinc/63/71/11/573637111.db2.gz UMKGLJTUMGXROY-UHFFFAOYSA-N 1 0 161.208 1.117 10 10 ADCERO C[C@H](CF)[NH2+]Cc1ccc(O)c(O)c1 308652582 573639484 /nfs/dbraw/zinc/63/94/84/573639484.db2.gz LRHHJNSCMMBHMB-SSDOTTSWSA-N 1 0 199.225 1.545 10 10 ADCERO NC[C@@H]([NH2+]C1CC1)c1ccccc1O 257839269 573642783 /nfs/dbraw/zinc/64/27/83/573642783.db2.gz LOLMTGQACVKORM-SNVBAGLBSA-N 1 0 192.262 1.144 10 10 ADCERO Cc1cc(C)c(O)c([C@H]([NH3+])[C@H](C)O)c1 238461447 573641378 /nfs/dbraw/zinc/64/13/78/573641378.db2.gz IMLWTYYEGIVXQN-WCBMZHEXSA-N 1 0 195.262 1.390 10 10 ADCERO [NH3+]C1(c2ccccc2O)CC(F)(F)C1 257839395 573642211 /nfs/dbraw/zinc/64/22/11/573642211.db2.gz JMHPUSZMWGOIBQ-UHFFFAOYSA-N 1 0 199.200 1.975 10 10 ADCERO Cc1cc(O)c(O)cc1[C@@H]1CC[NH2+]C1 257838638 573643891 /nfs/dbraw/zinc/64/38/91/573643891.db2.gz MXGKXURNOONBLC-MRVPVSSYSA-N 1 0 193.246 1.483 10 10 ADCERO Cc1cc(O)c(O)cc1[C@H]1CC[NH2+]C1 257838639 573644901 /nfs/dbraw/zinc/64/49/01/573644901.db2.gz MXGKXURNOONBLC-QMMMGPOBSA-N 1 0 193.246 1.483 10 10 ADCERO Cc1ccc(O)c([C@H]([NH3+])C(F)F)c1 238457906 573650918 /nfs/dbraw/zinc/65/09/18/573650918.db2.gz XPTRXJGUAHEJAM-QMMMGPOBSA-N 1 0 187.189 1.966 10 10 ADCERO COc1ccc(C)c(O)c1C(C)(C)[NH3+] 258080617 573652296 /nfs/dbraw/zinc/65/22/96/573652296.db2.gz MZJXKDRZVDYKLZ-UHFFFAOYSA-N 1 0 195.262 1.903 10 10 ADCERO C[C@@H]1CO[C@@](C)(c2ccccc2O)[NH2+]1 258505419 573653924 /nfs/dbraw/zinc/65/39/24/573653924.db2.gz MFKUJYCFJLXPBP-KCJUWKMLSA-N 1 0 193.246 1.573 10 10 ADCERO C[C@H]1CO[C@@](C)(c2ccccc2O)[NH2+]1 258505421 573654357 /nfs/dbraw/zinc/65/43/57/573654357.db2.gz MFKUJYCFJLXPBP-KWQFWETISA-N 1 0 193.246 1.573 10 10 ADCERO Cc1cc(N)c(O)c(C2([NH3+])CCC2)c1 238471403 573659826 /nfs/dbraw/zinc/65/98/26/573659826.db2.gz JXPJTOUTENMMFF-UHFFFAOYSA-N 1 0 192.262 1.621 10 10 ADCERO Cc1cc(O)c(O)cc1SC(N)=[NH2+] 238471912 573660515 /nfs/dbraw/zinc/66/05/15/573660515.db2.gz ZEGZZUQJJQBAIJ-UHFFFAOYSA-N 1 0 198.247 1.392 10 10 ADCERO Cc1cc(N)c(O)c([C@@H]2CC[NH2+]2)c1 238471673 573661233 /nfs/dbraw/zinc/66/12/33/573661233.db2.gz PHSZJGRNKBKHIT-VIFPVBQESA-N 1 0 178.235 1.317 10 10 ADCERO Cc1cc2c(c(C[NH3+])c1O)CCO2 258084410 573661753 /nfs/dbraw/zinc/66/17/53/573661753.db2.gz VYUTUACIYYFVRM-UHFFFAOYSA-N 1 0 179.219 1.094 10 10 ADCERO C[C@H](CC[NH3+])c1ccc(O)c(O)c1F 258084454 573662167 /nfs/dbraw/zinc/66/21/67/573662167.db2.gz JFVTYHSIJVJHGW-ZCFIWIBFSA-N 1 0 199.225 1.689 10 10 ADCERO Cc1cc(N)c(O)c(C2([NH3+])CC2)c1 238471384 573662245 /nfs/dbraw/zinc/66/22/45/573662245.db2.gz UXCWPXTXXUNRQJ-UHFFFAOYSA-N 1 0 178.235 1.231 10 10 ADCERO Cc1cc(N)c(O)c([C@H]([NH3+])C2CC2)c1 238471756 573662258 /nfs/dbraw/zinc/66/22/58/573662258.db2.gz HSNAIDGCSCQSIA-SNVBAGLBSA-N 1 0 192.262 1.693 10 10 ADCERO COc1ccc(O)c(C(C)(C)[NH3+])c1 258084390 573665009 /nfs/dbraw/zinc/66/50/09/573665009.db2.gz VYATWXQMOJMYDT-UHFFFAOYSA-N 1 0 181.235 1.595 10 10 ADCERO CC(C)[NH2+][C@@H](CN)c1ccccc1O 257843899 573666749 /nfs/dbraw/zinc/66/67/49/573666749.db2.gz MZVXJZNLNWFZNI-JTQLQIEISA-N 1 0 194.278 1.390 10 10 ADCERO Cc1cc(O)c([C@@](C)([NH3+])CO)cc1F 238474707 573666626 /nfs/dbraw/zinc/66/66/26/573666626.db2.gz UNBSMCFUDOASHO-JTQLQIEISA-N 1 0 199.225 1.006 10 10 ADCERO CCc1cc(C[NH2+]CO)ccc1OC 258855721 573670151 /nfs/dbraw/zinc/67/01/51/573670151.db2.gz DZPYYJCTCGNDLS-UHFFFAOYSA-N 1 0 195.262 1.297 10 10 ADCERO Cc1cc(O)c([C@](C)([NH3+])CO)cc1F 238475966 573670531 /nfs/dbraw/zinc/67/05/31/573670531.db2.gz UNBSMCFUDOASHO-SNVBAGLBSA-N 1 0 199.225 1.006 10 10 ADCERO C[NH2+]CN(C)c1ccc2c(c1)CCC2 258866479 573671555 /nfs/dbraw/zinc/67/15/55/573671555.db2.gz KQSKGKMOXAKRHM-UHFFFAOYSA-N 1 0 190.290 1.788 10 10 ADCERO Cc1ccc([C@@H]([NH3+])C(F)F)c(O)c1 238476038 573672439 /nfs/dbraw/zinc/67/24/39/573672439.db2.gz OSZWFXHWRNECRR-MRVPVSSYSA-N 1 0 187.189 1.966 10 10 ADCERO C[NH2+]CN(C)c1ccc2c(c1)OCO2 258866378 573672667 /nfs/dbraw/zinc/67/26/67/573672667.db2.gz KNQCCWZVJPPGGZ-UHFFFAOYSA-N 1 0 194.234 1.028 10 10 ADCERO Nc1ccc(C[NH2+]C2CC2)c(O)c1 258076072 573674729 /nfs/dbraw/zinc/67/47/29/573674729.db2.gz HUWNEDUDOJOMMO-UHFFFAOYSA-N 1 0 178.235 1.226 10 10 ADCERO CN(C[NH3+])c1ccc2c(c1)CCCO2 258870841 573675043 /nfs/dbraw/zinc/67/50/43/573675043.db2.gz KZRNCOAHEQGASZ-UHFFFAOYSA-N 1 0 192.262 1.364 10 10 ADCERO [NH3+]C/C=C/c1ccc(Cl)c(O)c1O 258076574 573675254 /nfs/dbraw/zinc/67/52/54/573675254.db2.gz IMYDHSWEYHBWGG-OWOJBTEDSA-N 1 0 199.637 1.723 10 10 ADCERO COc1ccc(N(C)C)c(CC[NH3+])c1 258090701 573677599 /nfs/dbraw/zinc/67/75/99/573677599.db2.gz NXWOGWIPFNDDHD-UHFFFAOYSA-N 1 0 194.278 1.262 10 10 ADCERO COc1cc(C)c(C)c(C[NH3+])c1O 258080406 573680196 /nfs/dbraw/zinc/68/01/96/573680196.db2.gz VNAYRUHYSKLFCQ-UHFFFAOYSA-N 1 0 181.235 1.476 10 10 ADCERO [NH3+]C/C=C/c1cccc(O)c1O 258090418 573680431 /nfs/dbraw/zinc/68/04/31/573680431.db2.gz WVXVQDNKHIEBAF-DUXPYHPUSA-N 1 0 165.192 1.070 10 10 ADCERO OC[C@@H]1CC[NH2+][C@@H]1c1ccccc1O 257847199 573683156 /nfs/dbraw/zinc/68/31/56/573683156.db2.gz NWKCKYBDZJZXTQ-KWQFWETISA-N 1 0 193.246 1.035 10 10 ADCERO OC[C@@H]1CC[NH2+][C@H]1c1ccccc1O 257847196 573683397 /nfs/dbraw/zinc/68/33/97/573683397.db2.gz NWKCKYBDZJZXTQ-GZMMTYOYSA-N 1 0 193.246 1.035 10 10 ADCERO C[C@]1(c2ccccc2O)[NH2+]CCO1 238470499 573683455 /nfs/dbraw/zinc/68/34/55/573683455.db2.gz YRPHAUKPNLABLW-JTQLQIEISA-N 1 0 179.219 1.185 10 10 ADCERO Cc1cc2c(cc1N(C)C[NH3+])OCO2 258878088 573683986 /nfs/dbraw/zinc/68/39/86/573683986.db2.gz LSYRPBWXLPLLDM-UHFFFAOYSA-N 1 0 194.234 1.076 10 10 ADCERO C[C@]1(c2ccccc2O)CC(=O)C[NH2+]1 258882285 573684063 /nfs/dbraw/zinc/68/40/63/573684063.db2.gz MUWIUFLVCIAFIC-LLVKDONJSA-N 1 0 191.230 1.170 10 10 ADCERO C[C@@]1(c2ccccc2O)CC(=O)C[NH2+]1 258882288 573684356 /nfs/dbraw/zinc/68/43/56/573684356.db2.gz MUWIUFLVCIAFIC-NSHDSACASA-N 1 0 191.230 1.170 10 10 ADCERO Cc1cc(/C=C/C[NH3+])c(O)c(O)c1C 258093509 573684411 /nfs/dbraw/zinc/68/44/11/573684411.db2.gz ODMMFQCSWUMJKN-ONEGZZNKSA-N 1 0 193.246 1.687 10 10 ADCERO CCc1cccc([C@H](CO)[NH2+]C)c1O 238304071 573685309 /nfs/dbraw/zinc/68/53/09/573685309.db2.gz WGTAIPLVVGMBDE-JTQLQIEISA-N 1 0 195.262 1.207 10 10 ADCERO C[C@@]1(c2cc(O)ccc2O)CCC[NH2+]1 258085568 573688877 /nfs/dbraw/zinc/68/88/77/573688877.db2.gz NMNOXLYPAJXVGO-NSHDSACASA-N 1 0 193.246 1.696 10 10 ADCERO Cc1cc(O)c(O)cc1CCC[NH3+] 257847364 573689264 /nfs/dbraw/zinc/68/92/64/573689264.db2.gz QJHMCTMWGQWTSM-UHFFFAOYSA-N 1 0 181.235 1.298 10 10 ADCERO COc1c(C)cc(N(C)C[NH3+])cc1C 258881431 573689650 /nfs/dbraw/zinc/68/96/50/573689650.db2.gz LZVFINKSBPYJFH-UHFFFAOYSA-N 1 0 194.278 1.664 10 10 ADCERO C[C@]1(c2cc(O)ccc2O)CCC[NH2+]1 258085567 573690054 /nfs/dbraw/zinc/69/00/54/573690054.db2.gz NMNOXLYPAJXVGO-LLVKDONJSA-N 1 0 193.246 1.696 10 10 ADCERO CC[NH2+][C@H]1CCOc2cccc(O)c21 257851172 573691520 /nfs/dbraw/zinc/69/15/20/573691520.db2.gz OXMQYCXTWZTIRN-QMMMGPOBSA-N 1 0 193.246 1.825 10 10 ADCERO C[C@H]1[NH2+]CCc2c1cc(O)c(O)c2O 75818644 573699985 /nfs/dbraw/zinc/69/99/85/573699985.db2.gz XKDWPXTWJQHXBK-RXMQYKEDSA-N 1 0 195.218 1.010 10 10 ADCERO COc1cc(N(C)C)ccc1C[NH3+] 108239130 573704440 /nfs/dbraw/zinc/70/44/40/573704440.db2.gz MDNOVTDAYVWJDC-UHFFFAOYSA-N 1 0 180.251 1.220 10 10 ADCERO CC(C)([NH3+])c1cc([N+](=O)[O-])ccc1[O-] 258100903 573705116 /nfs/dbraw/zinc/70/51/16/573705116.db2.gz OTKRCICXFOUZQB-UHFFFAOYSA-N 1 0 196.206 1.494 10 10 ADCERO CN(C)c1ccc(O)c(C(C)(C)[NH3+])c1 258100987 573707423 /nfs/dbraw/zinc/70/74/23/573707423.db2.gz OUIZPUMMQIXSIX-UHFFFAOYSA-N 1 0 194.278 1.652 10 10 ADCERO [NH3+]C1(c2ccc(Cl)c(O)c2O)CC1 258099982 573708474 /nfs/dbraw/zinc/70/84/74/573708474.db2.gz KKGFWOUEWGWMSE-UHFFFAOYSA-N 1 0 199.637 1.699 10 10 ADCERO Cc1cc(O)c([C@H]2CC[NH2+]2)cc1F 238490649 573710512 /nfs/dbraw/zinc/71/05/12/573710512.db2.gz BBMJPNYJIPQXJE-SECBINFHSA-N 1 0 181.210 1.874 10 10 ADCERO Cc1cc(O)c2c(c1N)CCC[C@H]2[NH3+] 238492848 573712160 /nfs/dbraw/zinc/71/21/60/573712160.db2.gz RVKKMQSPXNJAFM-MRVPVSSYSA-N 1 0 192.262 1.619 10 10 ADCERO C[C@H](O)[C@H]([NH3+])c1ccc([S-])cc1O 238492807 573712533 /nfs/dbraw/zinc/71/25/33/573712533.db2.gz HXMBEABSPSCFFL-CDUCUWFYSA-N 1 0 199.275 1.062 10 10 ADCERO Oc1ccc(F)cc1C[NH2+]C1COC1 236559912 573712802 /nfs/dbraw/zinc/71/28/02/573712802.db2.gz DWFSJXCZWBKVGF-UHFFFAOYSA-N 1 0 197.209 1.020 10 10 ADCERO Cc1ccc2c(c1O)[C@@H]([NH3+])CC2 238493432 573712808 /nfs/dbraw/zinc/71/28/08/573712808.db2.gz BHNXYDWYKQTUTI-QMMMGPOBSA-N 1 0 163.220 1.647 10 10 ADCERO [NH3+]CCc1ccc(Cl)c(O)c1O 258096259 573712954 /nfs/dbraw/zinc/71/29/54/573712954.db2.gz OLRTXABXWNTVRB-UHFFFAOYSA-N 1 0 187.626 1.252 10 10 ADCERO Cc1cc(O)c2c(c1)OCC[C@@H]2[NH3+] 238492700 573715674 /nfs/dbraw/zinc/71/56/74/573715674.db2.gz LEDAEYVGOQWPEL-ZETCQYMHSA-N 1 0 179.219 1.483 10 10 ADCERO Cc1cc(O)c2c(c1N)CC[C@@H]2[NH3+] 238492753 573716060 /nfs/dbraw/zinc/71/60/60/573716060.db2.gz QUEYEPOQZWSNCG-ZETCQYMHSA-N 1 0 178.235 1.229 10 10 ADCERO Cc1c(CCC[NH3+])cc(O)c(O)c1C 258098468 573717922 /nfs/dbraw/zinc/71/79/22/573717922.db2.gz OOQYOFOXFAXDSP-UHFFFAOYSA-N 1 0 195.262 1.606 10 10 ADCERO Cc1ccc(O)c(C[NH3+])c1C 108282139 573719591 /nfs/dbraw/zinc/71/95/91/573719591.db2.gz VSYYOSUMBQANGJ-UHFFFAOYSA-N 1 0 151.209 1.468 10 10 ADCERO Cc1c([C@@H](C)[NH3+])cc(O)c(O)c1C 258105980 573721737 /nfs/dbraw/zinc/72/17/37/573721737.db2.gz YKRFWDGTRGHWNE-SSDOTTSWSA-N 1 0 181.235 1.734 10 10 ADCERO CCN1c2ccc(C[NH3+])cc2C[C@H]1C 258104500 573722017 /nfs/dbraw/zinc/72/20/17/573722017.db2.gz OCZAZHXVKYQSSM-SECBINFHSA-N 1 0 190.290 1.916 10 10 ADCERO CCN1c2ccc(C[NH3+])cc2C[C@@H]1C 258104508 573722173 /nfs/dbraw/zinc/72/21/73/573722173.db2.gz OCZAZHXVKYQSSM-VIFPVBQESA-N 1 0 190.290 1.916 10 10 ADCERO C[NH2+]CCc1cc(C)c(O)c(O)c1 258105744 573723116 /nfs/dbraw/zinc/72/31/16/573723116.db2.gz YHJCVKSGUUNKIF-UHFFFAOYSA-N 1 0 181.235 1.168 10 10 ADCERO C[C@H]([NH3+])Cc1ccc(F)c(O)c1O 258108644 573725761 /nfs/dbraw/zinc/72/57/61/573725761.db2.gz PJYVKXDUFXJNAN-YFKPBYRVSA-N 1 0 185.198 1.127 10 10 ADCERO C[C@@H]([NH3+])Cc1ccc(F)c(O)c1O 258108642 573727331 /nfs/dbraw/zinc/72/73/31/573727331.db2.gz PJYVKXDUFXJNAN-RXMQYKEDSA-N 1 0 185.198 1.127 10 10 ADCERO [NH3+]Cc1cc2c(cc1O)CCC2 108285146 573727616 /nfs/dbraw/zinc/72/76/16/573727616.db2.gz HJSVBKBPQQVWFG-UHFFFAOYSA-N 1 0 163.220 1.340 10 10 ADCERO Cc1cc(O)c(C2([NH3+])CCC2)c(O)c1 238487632 573728573 /nfs/dbraw/zinc/72/85/73/573728573.db2.gz ASZXJESRYUVESV-UHFFFAOYSA-N 1 0 193.246 1.744 10 10 ADCERO Cc1c(C(C)(C)[NH3+])cc(O)c(O)c1C 258108759 573729055 /nfs/dbraw/zinc/72/90/55/573729055.db2.gz PMCVAGFIINNRRF-UHFFFAOYSA-N 1 0 195.262 1.908 10 10 ADCERO Cc1cc(O)c([C@@H]([NH3+])[C@H](C)O)cc1F 238488327 573729577 /nfs/dbraw/zinc/72/95/77/573729577.db2.gz GFGUONWHLPBQKX-WKEGUHRASA-N 1 0 199.225 1.220 10 10 ADCERO C[C@H](O)[C@H]([NH3+])c1cc([S-])ccc1O 238489726 573732747 /nfs/dbraw/zinc/73/27/47/573732747.db2.gz QACOYJDBZJISMM-CDUCUWFYSA-N 1 0 199.275 1.062 10 10 ADCERO [NH3+]C[C@@H](F)c1ccc(O)c(O)c1 108289333 573735973 /nfs/dbraw/zinc/73/59/73/573735973.db2.gz NEVNPXHLIFMZLX-ZCFIWIBFSA-N 1 0 171.171 1.067 10 10 ADCERO [NH3+]C1(Cc2cccc(O)c2O)CC1 258114758 573735789 /nfs/dbraw/zinc/73/57/89/573735789.db2.gz ZHGGAYJHMBNEQA-UHFFFAOYSA-N 1 0 179.219 1.132 10 10 ADCERO [NH3+]C1(c2ccc(O)c(O)c2F)CC1 258113421 573737226 /nfs/dbraw/zinc/73/72/26/573737226.db2.gz PWWIJPFBXOXXQR-UHFFFAOYSA-N 1 0 183.182 1.185 10 10 ADCERO Cc1cc(C(C)(C)[NH3+])cc(O)c1O 258112948 573737042 /nfs/dbraw/zinc/73/70/42/573737042.db2.gz ZESIGYSBSVDGSF-UHFFFAOYSA-N 1 0 181.235 1.600 10 10 ADCERO Cc1c(C[NH3+])cc(O)c(O)c1C 258114959 573737796 /nfs/dbraw/zinc/73/77/96/573737796.db2.gz ZKUIDZISVDBUPW-UHFFFAOYSA-N 1 0 167.208 1.173 10 10 ADCERO C[C@@H]([NH3+])Cc1cc(O)c(O)c(F)c1 258103741 573741697 /nfs/dbraw/zinc/74/16/97/573741697.db2.gz PAOWUZJXVRBSTQ-RXMQYKEDSA-N 1 0 185.198 1.127 10 10 ADCERO C[C@@H]1COC[C@H](c2ccccc2O)[NH2+]1 108302908 573743462 /nfs/dbraw/zinc/74/34/62/573743462.db2.gz VLQZTKKHVZBEBS-PSASIEDQSA-N 1 0 193.246 1.442 10 10 ADCERO C[C@H]1COC[C@@H](c2ccccc2O)[NH2+]1 108302913 573744145 /nfs/dbraw/zinc/74/41/45/573744145.db2.gz VLQZTKKHVZBEBS-WPRPVWTQSA-N 1 0 193.246 1.442 10 10 ADCERO C[C@H]1COC[C@H](c2ccccc2O)[NH2+]1 108302909 573744171 /nfs/dbraw/zinc/74/41/71/573744171.db2.gz VLQZTKKHVZBEBS-WCBMZHEXSA-N 1 0 193.246 1.442 10 10 ADCERO C[NH2+][C@H](C)c1cc(O)c(O)cc1C 257873295 573746663 /nfs/dbraw/zinc/74/66/63/573746663.db2.gz YRHPILBAWHXHLY-SSDOTTSWSA-N 1 0 181.235 1.687 10 10 ADCERO CC(C)([NH3+])Cc1ccc(F)c(O)c1O 258116522 573749806 /nfs/dbraw/zinc/74/98/06/573749806.db2.gz LVNOVITWJOTRSM-UHFFFAOYSA-N 1 0 199.225 1.517 10 10 ADCERO C[C@@](F)(C[NH3+])c1ccc(O)c(O)c1 257865696 573751921 /nfs/dbraw/zinc/75/19/21/573751921.db2.gz WZXDOTQPVYHJDE-SECBINFHSA-N 1 0 185.198 1.241 10 10 ADCERO C[C@](F)(C[NH3+])c1ccc(O)c(O)c1 257865698 573753018 /nfs/dbraw/zinc/75/30/18/573753018.db2.gz WZXDOTQPVYHJDE-VIFPVBQESA-N 1 0 185.198 1.241 10 10 ADCERO COc1cc(O)c(C(C)(C)[NH3+])cc1F 258121329 573760991 /nfs/dbraw/zinc/76/09/91/573760991.db2.gz MCWUOHLAOVFWMV-UHFFFAOYSA-N 1 0 199.225 1.734 10 10 ADCERO Cc1cc([C@H](C)CC[NH3+])cc(O)c1O 258121272 573761289 /nfs/dbraw/zinc/76/12/89/573761289.db2.gz QSMFJFGAWWGNMI-SSDOTTSWSA-N 1 0 195.262 1.859 10 10 ADCERO CC[NH2+][C@@H]1CCNc2cccc(O)c21 257870275 573761462 /nfs/dbraw/zinc/76/14/62/573761462.db2.gz SVOVAOHERWFQLI-SECBINFHSA-N 1 0 192.262 1.858 10 10 ADCERO Cc1cc([C@@H](C)CC[NH3+])cc(O)c1O 258121274 573763064 /nfs/dbraw/zinc/76/30/64/573763064.db2.gz QSMFJFGAWWGNMI-ZETCQYMHSA-N 1 0 195.262 1.859 10 10 ADCERO Cc1c(F)ccc(C2([NH3+])CC2)c1O 238508003 573765140 /nfs/dbraw/zinc/76/51/40/573765140.db2.gz FDTIOWKPSIUPAP-UHFFFAOYSA-N 1 0 181.210 1.788 10 10 ADCERO CC[NH2+][C@H]1CCNc2cccc(O)c21 257870278 573765468 /nfs/dbraw/zinc/76/54/68/573765468.db2.gz SVOVAOHERWFQLI-VIFPVBQESA-N 1 0 192.262 1.858 10 10 ADCERO OC[C@@H]1C[NH2+][C@@H](c2ccccc2O)C1 108340981 573766154 /nfs/dbraw/zinc/76/61/54/573766154.db2.gz XPRYCOXMIKTTOG-WCBMZHEXSA-N 1 0 193.246 1.035 10 10 ADCERO CN1C[C@@H]([NH3+])C[C@@H]1c1ccccc1O 108340873 573766289 /nfs/dbraw/zinc/76/62/89/573766289.db2.gz LYBKFKLVTLDLTM-WCBMZHEXSA-N 1 0 192.262 1.096 10 10 ADCERO Cc1c(O)ccc([C@@H]([NH3+])C2CC2)c1O 238509782 573766809 /nfs/dbraw/zinc/76/68/09/573766809.db2.gz YUWQEIKPMJDHGZ-JTQLQIEISA-N 1 0 193.246 1.816 10 10 ADCERO OC[C@@H]1C[NH2+][C@H](c2ccccc2O)C1 108340979 573770058 /nfs/dbraw/zinc/77/00/58/573770058.db2.gz XPRYCOXMIKTTOG-WPRPVWTQSA-N 1 0 193.246 1.035 10 10 ADCERO [NH3+]C[C@@H]1CCNc2ccccc2N1 108369131 573777240 /nfs/dbraw/zinc/77/72/40/573777240.db2.gz NSISGLGBGLMOGV-QMMMGPOBSA-N 1 0 177.251 1.241 10 10 ADCERO CCc1cc(N(C)C[NH3+])ccc1OC 258937079 573777698 /nfs/dbraw/zinc/77/76/98/573777698.db2.gz SNNGZWOOVGHEEA-UHFFFAOYSA-N 1 0 194.278 1.610 10 10 ADCERO [NH3+]C1(c2cc(O)ccc2O)CCC1 258117574 573778103 /nfs/dbraw/zinc/77/81/03/573778103.db2.gz ZQZPCRJLSRCKNA-UHFFFAOYSA-N 1 0 179.219 1.436 10 10 ADCERO Cc1cc(F)cc(C[NH3+])c1O 108366642 573779466 /nfs/dbraw/zinc/77/94/66/573779466.db2.gz JEDASUXTQQOPJZ-UHFFFAOYSA-N 1 0 155.172 1.298 10 10 ADCERO [NH3+]C[C@H]1CCNc2ccccc2N1 108369129 573779152 /nfs/dbraw/zinc/77/91/52/573779152.db2.gz NSISGLGBGLMOGV-MRVPVSSYSA-N 1 0 177.251 1.241 10 10 ADCERO Cc1cc([C@@H](C)C[NH3+])c(F)c(O)c1O 258129212 573780221 /nfs/dbraw/zinc/78/02/21/573780221.db2.gz MVJUQIKIIRRCRM-LURJTMIESA-N 1 0 199.225 1.608 10 10 ADCERO CC(C)(C[NH3+])c1cc(O)c(O)cc1O 238106265 573779890 /nfs/dbraw/zinc/77/98/90/573779890.db2.gz CEIZVOSOSUVPIU-UHFFFAOYSA-N 1 0 197.234 1.040 10 10 ADCERO C[C@@]1(c2ccccc2O)[NH2+]CCO1 238504125 573784558 /nfs/dbraw/zinc/78/45/58/573784558.db2.gz YRPHAUKPNLABLW-SNVBAGLBSA-N 1 0 179.219 1.185 10 10 ADCERO Nc1cccc(O)c1C[NH+]1CCCC1 108373184 573785376 /nfs/dbraw/zinc/78/53/76/573785376.db2.gz KNGFBMXYTAXRKY-UHFFFAOYSA-N 1 0 192.262 1.570 10 10 ADCERO COc1ccc(N(C)C)c([C@@H](C)[NH3+])c1 258128647 573800634 /nfs/dbraw/zinc/80/06/34/573800634.db2.gz RGGVTOBGDPERCA-MRVPVSSYSA-N 1 0 194.278 1.781 10 10 ADCERO CC[NH2+]CC/C=C\c1nccn1CC 211641522 573809117 /nfs/dbraw/zinc/80/91/17/573809117.db2.gz QGQBDTKRXVTBFV-ALCCZGGFSA-N 1 0 193.294 1.916 10 10 ADCERO CC(C)([NH3+])c1c(F)ccc(O)c1O 258136243 573809165 /nfs/dbraw/zinc/80/91/65/573809165.db2.gz SAHJCFLHIWWKIO-UHFFFAOYSA-N 1 0 185.198 1.431 10 10 ADCERO Cc1c(/C=C/C[NH3+])cc(O)c(O)c1C 258136088 573808626 /nfs/dbraw/zinc/80/86/26/573808626.db2.gz RWBZUPXSNJAKRD-ONEGZZNKSA-N 1 0 193.246 1.687 10 10 ADCERO Cc1cc(F)cc([C@@](C)([NH3+])CO)c1O 238529134 573808637 /nfs/dbraw/zinc/80/86/37/573808637.db2.gz IKPKCNHURHVJQU-JTQLQIEISA-N 1 0 199.225 1.006 10 10 ADCERO COc1ccc2c(c1O)C[NH2+]C21CC1 257882262 573808977 /nfs/dbraw/zinc/80/89/77/573808977.db2.gz VPRMHPZXDNNMCT-UHFFFAOYSA-N 1 0 191.230 1.493 10 10 ADCERO COc1ccc(N(C)C[NH3+])cc1 258956247 573809011 /nfs/dbraw/zinc/80/90/11/573809011.db2.gz VHESQDZVLUGBOQ-UHFFFAOYSA-N 1 0 166.224 1.048 10 10 ADCERO C/C(=C/c1ccc(O)c(O)c1)[C@@H](C)[NH3+] 308444118 573813273 /nfs/dbraw/zinc/81/32/73/573813273.db2.gz MLHHHKCVGJKEBL-GRKOMRHMSA-N 1 0 193.246 1.848 10 10 ADCERO C/C(=C/c1ccc(O)c(O)c1)[C@H](C)[NH3+] 308444119 573813607 /nfs/dbraw/zinc/81/36/07/573813607.db2.gz MLHHHKCVGJKEBL-TVSKSKRASA-N 1 0 193.246 1.848 10 10 ADCERO CC[C@@H](C)[NH2+]Cc1cccc(O)c1O 41049376 573814517 /nfs/dbraw/zinc/81/45/17/573814517.db2.gz FYSUHNUKHOHJLA-MRVPVSSYSA-N 1 0 195.262 1.986 10 10 ADCERO C[C@]1(c2ccccc2O)[NH2+]CC[C@@H]1F 258139990 573814615 /nfs/dbraw/zinc/81/46/15/573814615.db2.gz QYOCGJUZCCZMLW-WDEREUQCSA-N 1 0 195.237 1.939 10 10 ADCERO Cc1cc(C=O)c(O)c(C2([NH3+])CC2)c1 238521694 573814862 /nfs/dbraw/zinc/81/48/62/573814862.db2.gz GIDGHXYUDADZBE-UHFFFAOYSA-N 1 0 191.230 1.461 10 10 ADCERO CCCC[NH2+]Cc1cccc(O)c1O 41049388 573815011 /nfs/dbraw/zinc/81/50/11/573815011.db2.gz MBJKKDALCMDGMF-UHFFFAOYSA-N 1 0 195.262 1.988 10 10 ADCERO C[C@@]1(c2ccccc2O)[NH2+]CC[C@H]1F 258139984 573815103 /nfs/dbraw/zinc/81/51/03/573815103.db2.gz QYOCGJUZCCZMLW-MNOVXSKESA-N 1 0 195.237 1.939 10 10 ADCERO C[C@H]([NH3+])c1ccc2c(c1O)OCCO2 258145414 573815342 /nfs/dbraw/zinc/81/53/42/573815342.db2.gz SXGQZDUBBYZYBT-LURJTMIESA-N 1 0 195.218 1.183 10 10 ADCERO C[C@]1(c2ccccc2O)[NH2+]CC[C@H]1F 258139979 573815612 /nfs/dbraw/zinc/81/56/12/573815612.db2.gz QYOCGJUZCCZMLW-GHMZBOCLSA-N 1 0 195.237 1.939 10 10 ADCERO CC(C)C[NH2+]Cc1cccc(O)c1O 41049378 573815674 /nfs/dbraw/zinc/81/56/74/573815674.db2.gz BPDQRTYALNMWMQ-UHFFFAOYSA-N 1 0 195.262 1.843 10 10 ADCERO C=C(N=[N+]=[N-])c1cncn1C 238530451 573816043 /nfs/dbraw/zinc/81/60/43/573816043.db2.gz URKVDBWSNPYKMO-UHFFFAOYSA-N 1 0 149.157 1.701 10 10 ADCERO C[NH2+][C@H]1CCOc2cccc(O)c21 257881263 573816647 /nfs/dbraw/zinc/81/66/47/573816647.db2.gz MAJNQJLJUGVURQ-ZETCQYMHSA-N 1 0 179.219 1.435 10 10 ADCERO C[NH2+][C@@H]1CCOc2cccc(O)c21 257881259 573816881 /nfs/dbraw/zinc/81/68/81/573816881.db2.gz MAJNQJLJUGVURQ-SSDOTTSWSA-N 1 0 179.219 1.435 10 10 ADCERO C[C@@H]([NH2+]C1COC1)c1ccccc1O 87194747 573817039 /nfs/dbraw/zinc/81/70/39/573817039.db2.gz NVQVNAGBUIDZDZ-MRVPVSSYSA-N 1 0 193.246 1.442 10 10 ADCERO CSc1ccc(C)c(O)c1C[NH3+] 258148039 573817414 /nfs/dbraw/zinc/81/74/14/573817414.db2.gz TXLWPVODZJCGHU-UHFFFAOYSA-N 1 0 183.276 1.881 10 10 ADCERO [NH3+]C1(Cc2ccc(F)c(O)c2O)CC1 258145529 573817700 /nfs/dbraw/zinc/81/77/00/573817700.db2.gz SZUQSAFYSVLMII-UHFFFAOYSA-N 1 0 197.209 1.271 10 10 ADCERO C[C@H]([NH2+]C1COC1)c1ccccc1O 87194746 573818435 /nfs/dbraw/zinc/81/84/35/573818435.db2.gz NVQVNAGBUIDZDZ-QMMMGPOBSA-N 1 0 193.246 1.442 10 10 ADCERO Cc1ccc(O)c(C[NH2+]C2COC2)c1 87194957 573818727 /nfs/dbraw/zinc/81/87/27/573818727.db2.gz YYTGFSDKFHACDQ-UHFFFAOYSA-N 1 0 193.246 1.189 10 10 ADCERO C[C@@H]([NH3+])c1ccc2c(c1O)OCCO2 258145419 573820153 /nfs/dbraw/zinc/82/01/53/573820153.db2.gz SXGQZDUBBYZYBT-ZCFIWIBFSA-N 1 0 195.218 1.183 10 10 ADCERO Cc1cc(O)c(O)c(Cl)c1C[NH3+] 258147819 573820327 /nfs/dbraw/zinc/82/03/27/573820327.db2.gz TVDWXCCNUCEKHV-UHFFFAOYSA-N 1 0 187.626 1.518 10 10 ADCERO CCOc1ccc(CNC[NH3+])cc1C 258961429 573833314 /nfs/dbraw/zinc/83/33/14/573833314.db2.gz VYYHNNIBAADJMO-UHFFFAOYSA-N 1 0 194.278 1.400 10 10 ADCERO C[N@@H+]1CC[C@H](O)[C@@H]1c1ccccc1O 257885233 573832913 /nfs/dbraw/zinc/83/29/13/573832913.db2.gz WCGOTEIQFLEXIN-QWRGUYRKSA-N 1 0 193.246 1.130 10 10 ADCERO CC(C)([NH3+])c1cccc(CO)c1O 238155006 573837034 /nfs/dbraw/zinc/83/70/34/573837034.db2.gz LLPFXOBFWRMKLJ-UHFFFAOYSA-N 1 0 181.235 1.078 10 10 ADCERO Cc1c(F)ccc([C@@](C)([NH3+])CO)c1O 238536466 573842983 /nfs/dbraw/zinc/84/29/83/573842983.db2.gz FWJIZPJBIIQSEZ-JTQLQIEISA-N 1 0 199.225 1.006 10 10 ADCERO Cc1cccc(O)c1[C@@H]([NH3+])CCO 238536075 573843153 /nfs/dbraw/zinc/84/31/53/573843153.db2.gz QFAGBSKZJSLDBF-QMMMGPOBSA-N 1 0 181.235 1.083 10 10 ADCERO Cc1cccc(O)c1[C@H]([NH3+])CCO 238536881 573843534 /nfs/dbraw/zinc/84/35/34/573843534.db2.gz QFAGBSKZJSLDBF-MRVPVSSYSA-N 1 0 181.235 1.083 10 10 ADCERO Cc1c(F)ccc([C@](C)([NH3+])CO)c1O 238536510 573843627 /nfs/dbraw/zinc/84/36/27/573843627.db2.gz FWJIZPJBIIQSEZ-SNVBAGLBSA-N 1 0 199.225 1.006 10 10 ADCERO Cc1cccc(O)c1[C@@](C)([NH3+])CCO 238536611 573845079 /nfs/dbraw/zinc/84/50/79/573845079.db2.gz VZUZQDACBGDMJJ-NSHDSACASA-N 1 0 195.262 1.257 10 10 ADCERO Cc1cccc(O)c1[C@H]1COCC[NH2+]1 238537264 573845470 /nfs/dbraw/zinc/84/54/70/573845470.db2.gz QHLLFOQFPSRZTA-SECBINFHSA-N 1 0 193.246 1.362 10 10 ADCERO CC(C)([NH3+])c1cc(O)ccc1O 238151073 573848898 /nfs/dbraw/zinc/84/88/98/573848898.db2.gz JESZZOLAHHBGKW-UHFFFAOYSA-N 1 0 167.208 1.292 10 10 ADCERO CC(C)([NH3+])c1cc(N)cc(F)c1O 238150945 573848515 /nfs/dbraw/zinc/84/85/15/573848515.db2.gz KFGYSPWQMDDHDC-UHFFFAOYSA-N 1 0 184.214 1.307 10 10 ADCERO CC(C)([NH3+])c1cc(F)cc(N)c1O 238150185 573848689 /nfs/dbraw/zinc/84/86/89/573848689.db2.gz QGBZQJRRBSCELV-UHFFFAOYSA-N 1 0 184.214 1.307 10 10 ADCERO Cc1cc([C@H]2CCC[NH2+]2)cc(O)c1O 258163119 573850499 /nfs/dbraw/zinc/85/04/99/573850499.db2.gz VGHNAWMBVKQSST-SECBINFHSA-N 1 0 193.246 1.831 10 10 ADCERO Cc1cc([C@@H]2CCC[NH2+]2)cc(O)c1O 258163121 573850505 /nfs/dbraw/zinc/85/05/05/573850505.db2.gz VGHNAWMBVKQSST-VIFPVBQESA-N 1 0 193.246 1.831 10 10 ADCERO C[C@@H](C[NH3+])c1c(F)ccc(O)c1O 258163141 573851492 /nfs/dbraw/zinc/85/14/92/573851492.db2.gz VGWLIKJQBQBSCM-YFKPBYRVSA-N 1 0 185.198 1.299 10 10 ADCERO Nc1ccc(C[C@@]2(F)CC[NH2+]C2)cc1 257888641 573851663 /nfs/dbraw/zinc/85/16/63/573851663.db2.gz WRQNKNCGKMFTIQ-NSHDSACASA-N 1 0 194.253 1.513 10 10 ADCERO C[C@H](C[NH3+])c1c(F)ccc(O)c1O 258163140 573851844 /nfs/dbraw/zinc/85/18/44/573851844.db2.gz VGWLIKJQBQBSCM-RXMQYKEDSA-N 1 0 185.198 1.299 10 10 ADCERO Oc1ccccc1C12CC(C1)[NH2+]2 258162202 573853703 /nfs/dbraw/zinc/85/37/03/573853703.db2.gz LTOQPEPSMGEXEC-UHFFFAOYSA-N 1 0 161.204 1.353 10 10 ADCERO CC(C)Oc1ccc(C[NH3+])c(O)c1 238153661 573854220 /nfs/dbraw/zinc/85/42/20/573854220.db2.gz DSZKPXXEKKJBEO-UHFFFAOYSA-N 1 0 181.235 1.638 10 10 ADCERO Cc1cc(/C=C/C[NH3+])c(F)c(O)c1O 258155605 573856106 /nfs/dbraw/zinc/85/61/06/573856106.db2.gz URESNXACLDVYMJ-NSCUHMNNSA-N 1 0 197.209 1.517 10 10 ADCERO CC(C)[C@H]([NH3+])c1c(O)cccc1CO 238168764 573859997 /nfs/dbraw/zinc/85/99/97/573859997.db2.gz IXKREYUAPLSTPZ-NSHDSACASA-N 1 0 195.262 1.540 10 10 ADCERO CC(C)[C@@H]([NH3+])c1c(O)cccc1CO 238167496 573859571 /nfs/dbraw/zinc/85/95/71/573859571.db2.gz IXKREYUAPLSTPZ-LLVKDONJSA-N 1 0 195.262 1.540 10 10 ADCERO CC(C)[C@@H]([NH3+])c1c(O)ccc(O)c1O 238167443 573859767 /nfs/dbraw/zinc/85/97/67/573859767.db2.gz GNJDHFZLEFDIOG-SECBINFHSA-N 1 0 197.234 1.459 10 10 ADCERO Cc1cc(C)c([C@](C)([NH3+])CO)c(O)c1 238547436 573859860 /nfs/dbraw/zinc/85/98/60/573859860.db2.gz KCSPWYONKMOTFN-LLVKDONJSA-N 1 0 195.262 1.175 10 10 ADCERO CC[C@]1(c2ccccc2O)CC[NH2+]1 258165480 573862882 /nfs/dbraw/zinc/86/28/82/573862882.db2.gz MADNWVNDXQIWCV-LLVKDONJSA-N 1 0 177.247 1.991 10 10 ADCERO Cc1cc(N)c(O)c([C@H]([NH3+])C(C)C)c1 238170075 573862637 /nfs/dbraw/zinc/86/26/37/573862637.db2.gz LVLXGRDDBMVQGY-SNVBAGLBSA-N 1 0 194.278 1.939 10 10 ADCERO Cc1cc(N)c(O)c([C@@H]([NH3+])C(C)C)c1 238170507 573863020 /nfs/dbraw/zinc/86/30/20/573863020.db2.gz LVLXGRDDBMVQGY-JTQLQIEISA-N 1 0 194.278 1.939 10 10 ADCERO Cc1cccc([C@](C)([NH3+])CCO)c1O 238548109 573863251 /nfs/dbraw/zinc/86/32/51/573863251.db2.gz LFFDYKFMPDPRSY-LLVKDONJSA-N 1 0 195.262 1.257 10 10 ADCERO CC(C)[C@H]([NH3+])c1ccc(N)cc1O 238179078 573881962 /nfs/dbraw/zinc/88/19/62/573881962.db2.gz XQRUEUUUGSVSDK-JTQLQIEISA-N 1 0 180.251 1.630 10 10 ADCERO Cc1cc([C@@H]2CC[NH2+]C2)cc(O)c1O 258171060 573882160 /nfs/dbraw/zinc/88/21/60/573882160.db2.gz VUQQSYSFYFMCLR-MRVPVSSYSA-N 1 0 193.246 1.483 10 10 ADCERO Cc1cccc(C(=O)C[N+]#N)c1 80125340 573882381 /nfs/dbraw/zinc/88/23/81/573882381.db2.gz FZUZAYDXKLWUDJ-UHFFFAOYSA-N 1 0 160.176 1.478 10 10 ADCERO Cc1cc(N)c(O)c(C(C)(C)[NH3+])c1 238561030 573888515 /nfs/dbraw/zinc/88/85/15/573888515.db2.gz NEZFQUTUNBSBJZ-UHFFFAOYSA-N 1 0 180.251 1.477 10 10 ADCERO Oc1cc([C@H]2CCC[NH2+]2)c(O)cc1F 258179048 573909514 /nfs/dbraw/zinc/90/95/14/573909514.db2.gz WKSAUORUFXGJLP-MRVPVSSYSA-N 1 0 197.209 1.661 10 10 ADCERO Oc1cc([C@@H]2CCC[NH2+]2)c(O)cc1F 258179051 573910695 /nfs/dbraw/zinc/91/06/95/573910695.db2.gz WKSAUORUFXGJLP-QMMMGPOBSA-N 1 0 197.209 1.661 10 10 ADCERO Cc1cc(C)c([C@H]([NH3+])CO)c(O)c1C 259581752 573915809 /nfs/dbraw/zinc/91/58/09/573915809.db2.gz YHAIKYMDVBTAAF-SECBINFHSA-N 1 0 195.262 1.310 10 10 ADCERO [NH3+][C@H](c1ccccc1O)[C@H]1CCOC1 257901545 573926037 /nfs/dbraw/zinc/92/60/37/573926037.db2.gz YVQUDKCUMMVZPW-KWQFWETISA-N 1 0 193.246 1.429 10 10 ADCERO [NH3+][C@@H](c1ccccc1O)[C@H]1CCOC1 257901541 573926086 /nfs/dbraw/zinc/92/60/86/573926086.db2.gz YVQUDKCUMMVZPW-GZMMTYOYSA-N 1 0 193.246 1.429 10 10 ADCERO Oc1ccccc1[C@H]1CSCC[NH2+]1 257901516 573926234 /nfs/dbraw/zinc/92/62/34/573926234.db2.gz YVILZHMVYGWOMF-SECBINFHSA-N 1 0 195.287 1.770 10 10 ADCERO [NH3+][C@H](c1ccccc1O)[C@@H]1CCOC1 257901543 573928593 /nfs/dbraw/zinc/92/85/93/573928593.db2.gz YVQUDKCUMMVZPW-KCJUWKMLSA-N 1 0 193.246 1.429 10 10 ADCERO CCn1ccnc1/C=C\CC[NH2+]C 211599996 573927832 /nfs/dbraw/zinc/92/78/32/573927832.db2.gz UGWVNLSCBPEMCX-XQRVVYSFSA-N 1 0 179.267 1.526 10 10 ADCERO [NH3+][C@@H](c1ccccc1O)[C@@H]1CCOC1 257901547 573927902 /nfs/dbraw/zinc/92/79/02/573927902.db2.gz YVQUDKCUMMVZPW-LDYMZIIASA-N 1 0 193.246 1.429 10 10 ADCERO C[C@@H](C[NH3+])c1ccc(F)c(O)c1O 258184279 573939695 /nfs/dbraw/zinc/93/96/95/573939695.db2.gz WUTAVXQQEBYZPJ-YFKPBYRVSA-N 1 0 185.198 1.299 10 10 ADCERO CC(C)c1ccc2c(c1O)[C@H]([NH3+])CO2 238214800 573939457 /nfs/dbraw/zinc/93/94/57/573939457.db2.gz AJOAOMSNWMMHOT-MRVPVSSYSA-N 1 0 193.246 1.908 10 10 ADCERO CC(=O)c1cc(F)cc(C[NH3+])c1O 87567894 573948646 /nfs/dbraw/zinc/94/86/46/573948646.db2.gz WRGCPNZODRQTAW-UHFFFAOYSA-N 1 0 183.182 1.193 10 10 ADCERO Cc1cc([C@@H](C)C[NH3+])cc(O)c1O 257915444 573949803 /nfs/dbraw/zinc/94/98/03/573949803.db2.gz BJBIVQAFQQQOSI-ZETCQYMHSA-N 1 0 181.235 1.468 10 10 ADCERO Cc1ccc(C[NH3+])c(O)c1F 257911884 573956120 /nfs/dbraw/zinc/95/61/20/573956120.db2.gz AWHMPBPEFIXTSQ-UHFFFAOYSA-N 1 0 155.172 1.298 10 10 ADCERO Cc1cc(C=O)c(O)c([C@H](C)[NH3+])c1 104153097 573956166 /nfs/dbraw/zinc/95/61/66/573956166.db2.gz ADSSIWZVAJBXRN-ZETCQYMHSA-N 1 0 179.219 1.533 10 10 ADCERO Cc1cc(C=O)c(O)c([C@@H]2CC[NH2+]2)c1 104152535 573956215 /nfs/dbraw/zinc/95/62/15/573956215.db2.gz ZLMBPKOBNGCFCU-JTQLQIEISA-N 1 0 191.230 1.548 10 10 ADCERO [NH3+]C/C=C/CSc1nccs1 85054433 573958100 /nfs/dbraw/zinc/95/81/00/573958100.db2.gz OGFOKZVPTKFJPO-OWOJBTEDSA-N 1 0 186.305 1.750 10 10 ADCERO [NH3+]C1(c2cccc(O)c2O)CCCC1 258189496 573958167 /nfs/dbraw/zinc/95/81/67/573958167.db2.gz XEQOWUOYXJIISS-UHFFFAOYSA-N 1 0 193.246 1.826 10 10 ADCERO Oc1ccc([C@H]2CCC[NH2+]2)c(F)c1O 258189598 573961236 /nfs/dbraw/zinc/96/12/36/573961236.db2.gz XGYBYKJJZADYIZ-SSDOTTSWSA-N 1 0 197.209 1.661 10 10 ADCERO CC(C)[C@H](O)[C@@H]([NH3+])c1ccccc1O 238216486 573962175 /nfs/dbraw/zinc/96/21/75/573962175.db2.gz KEPGTACUZNSALI-QWRGUYRKSA-N 1 0 195.262 1.409 10 10 ADCERO C[C@@]1(c2ccccc2O)[NH2+]CCC1=O 259029916 573964140 /nfs/dbraw/zinc/96/41/40/573964140.db2.gz ZJEDYQKAZHCGRQ-NSHDSACASA-N 1 0 191.230 1.170 10 10 ADCERO C[C@]1(c2ccccc2O)[NH2+]CCC1=O 259029914 573966357 /nfs/dbraw/zinc/96/63/57/573966357.db2.gz ZJEDYQKAZHCGRQ-LLVKDONJSA-N 1 0 191.230 1.170 10 10 ADCERO [NH3+]CC1(c2ccc(F)c(O)c2O)CC1 258191917 573966858 /nfs/dbraw/zinc/96/68/58/573966858.db2.gz XLDQJODPPMXXER-UHFFFAOYSA-N 1 0 197.209 1.227 10 10 ADCERO CCC[C@@H]([NH3+])c1c(O)cccc1O 238228443 573970922 /nfs/dbraw/zinc/97/09/22/573970922.db2.gz UDTRUTAXZWUGJI-SSDOTTSWSA-N 1 0 181.235 1.898 10 10 ADCERO CCC[C@@H]([NH3+])c1c(O)ccc(O)c1O 238228377 573971322 /nfs/dbraw/zinc/97/13/22/573971322.db2.gz KTQGJMIJHSGODV-ZCFIWIBFSA-N 1 0 197.234 1.603 10 10 ADCERO C[C@@H]([NH3+])CSc1nccs1 81889433 573972949 /nfs/dbraw/zinc/97/29/49/573972949.db2.gz GGDXYVBRXCUABV-RXMQYKEDSA-N 1 0 174.294 1.582 10 10 ADCERO C[C@H]([NH3+])[C@H](C)Sc1nccs1 81889612 573973155 /nfs/dbraw/zinc/97/31/55/573973155.db2.gz VHGYBBZYBZBRFH-WDSKDSINSA-N 1 0 188.321 1.971 10 10 ADCERO C[C@H]([NH3+])[C@@H](C)Sc1nccs1 81889610 573973412 /nfs/dbraw/zinc/97/34/12/573973412.db2.gz VHGYBBZYBZBRFH-NTSWFWBYSA-N 1 0 188.321 1.971 10 10 ADCERO CC[C@@H]([NH3+])CSc1nccs1 81889169 573973466 /nfs/dbraw/zinc/97/34/66/573973466.db2.gz MEHWCINKKWTJMP-ZCFIWIBFSA-N 1 0 188.321 1.973 10 10 ADCERO CCSCc1c[nH]cn1 81914467 573973826 /nfs/dbraw/zinc/97/38/26/573973826.db2.gz WULVZVZQDPQHIO-UHFFFAOYSA-N 1 0 142.227 1.663 10 10 ADCERO CC[C@H]([NH3+])CSc1nccs1 81889168 573973843 /nfs/dbraw/zinc/97/38/43/573973843.db2.gz MEHWCINKKWTJMP-LURJTMIESA-N 1 0 188.321 1.973 10 10 ADCERO C[NH2+][C@H](C)CSc1nccs1 81889385 573974275 /nfs/dbraw/zinc/97/42/75/573974275.db2.gz NFFWWSPFHCMDJG-ZCFIWIBFSA-N 1 0 188.321 1.843 10 10 ADCERO C[C@@H]([NH3+])CCSc1nccs1 81889719 573974366 /nfs/dbraw/zinc/97/43/66/573974366.db2.gz MYMMPCFOMQKHNE-ZCFIWIBFSA-N 1 0 188.321 1.973 10 10 ADCERO C[C@@H]([NH3+])[C@@H](C)Sc1nccs1 81889611 573975553 /nfs/dbraw/zinc/97/55/53/573975553.db2.gz VHGYBBZYBZBRFH-PHDIDXHHSA-N 1 0 188.321 1.971 10 10 ADCERO N#[N+]C1=CC=C2C=CCC=C2C1=O 104453359 573981527 /nfs/dbraw/zinc/98/15/27/573981527.db2.gz URQUNWYOBNUYJQ-UHFFFAOYSA-N 1 0 170.171 1.567 10 10 ADCERO Cc1c(O)ccc([C@H](C)[NH3+])c1O 104404885 573980428 /nfs/dbraw/zinc/98/04/28/573980428.db2.gz CDRVRLBHGJJPKD-LURJTMIESA-N 1 0 167.208 1.426 10 10 ADCERO CC(C)[C@@H]([NH3+])c1cc(CO)ccc1O 104452235 573982485 /nfs/dbraw/zinc/98/24/85/573982485.db2.gz QRGRBSUKGQAASE-LLVKDONJSA-N 1 0 195.262 1.540 10 10 ADCERO COCc1ccc(O)c([C@@H](C)[NH3+])c1 104451042 573982522 /nfs/dbraw/zinc/98/25/22/573982522.db2.gz GGSLKXCSLKMLDK-SSDOTTSWSA-N 1 0 181.235 1.558 10 10 ADCERO COCc1ccc(O)c([C@H]2CC[NH2+]2)c1 104450238 573982759 /nfs/dbraw/zinc/98/27/59/573982759.db2.gz RKCGNFIKMYKLTR-SNVBAGLBSA-N 1 0 193.246 1.573 10 10 ADCERO [NH3+]CCCCc1ccc(F)c(O)c1O 258195531 573982866 /nfs/dbraw/zinc/98/28/66/573982866.db2.gz SCWYPFZWFRALGO-UHFFFAOYSA-N 1 0 199.225 1.518 10 10 ADCERO CCOc1ccc(O)c([C@H]2CC[NH2+]2)c1 104455343 573986789 /nfs/dbraw/zinc/98/67/89/573986789.db2.gz XZBPVJUMNCPTJT-SNVBAGLBSA-N 1 0 193.246 1.825 10 10 ADCERO [NH3+]Cc1c([O-])c(O)cc(Cl)c1F 258196400 573988200 /nfs/dbraw/zinc/98/82/00/573988200.db2.gz XVNFDXNKMMNLMB-UHFFFAOYSA-N 1 0 191.589 1.349 10 10 ADCERO [NH3+][C@@H](c1cc(CO)ccc1O)C1CC1 104454928 573988238 /nfs/dbraw/zinc/98/82/38/573988238.db2.gz WBQHDIRTBMZQJN-LLVKDONJSA-N 1 0 193.246 1.294 10 10 ADCERO [O-]c1cc(F)ccc1[C@@H]1CC[NH2+]1 104460504 573988779 /nfs/dbraw/zinc/98/87/79/573988779.db2.gz NHJUTVNBQYJMAN-QMMMGPOBSA-N 1 0 167.183 1.566 10 10 ADCERO [NH3+][C@@H](c1cccc(CO)c1O)C1CC1 104454931 573988953 /nfs/dbraw/zinc/98/89/53/573988953.db2.gz AFGGKUJPMYWIGR-SNVBAGLBSA-N 1 0 193.246 1.294 10 10 ADCERO COc1cc(C)c(O)c([C@@H]2CC[NH2+]2)c1 104460994 573989982 /nfs/dbraw/zinc/98/99/82/573989982.db2.gz GYGCULJQAIFMKL-JTQLQIEISA-N 1 0 193.246 1.744 10 10 ADCERO CCC[C@@H]([NH3+])c1ccc(N)cc1O 238236865 573998328 /nfs/dbraw/zinc/99/83/28/573998328.db2.gz HGVIWWZDEIYUSP-SECBINFHSA-N 1 0 180.251 1.774 10 10 ADCERO Cc1c(F)ccc(O)c1[C@@H]([NH3+])[C@H](C)O 104486196 574003323 /nfs/dbraw/zinc/00/33/23/574003323.db2.gz RJTCZQOISTVGEG-WKEGUHRASA-N 1 0 199.225 1.220 10 10 ADCERO Cc1c(F)ccc(O)c1[C@@H]([NH3+])[C@@H](C)O 104486185 574003385 /nfs/dbraw/zinc/00/33/85/574003385.db2.gz RJTCZQOISTVGEG-LDWIPMOCSA-N 1 0 199.225 1.220 10 10 ADCERO Cc1c(F)ccc(O)c1[C@@](C)([NH3+])CO 104487773 574006104 /nfs/dbraw/zinc/00/61/04/574006104.db2.gz GDWPQFAQGNNNKS-JTQLQIEISA-N 1 0 199.225 1.006 10 10 ADCERO Cc1c(F)ccc(O)c1[C@](C)([NH3+])CO 104487770 574006533 /nfs/dbraw/zinc/00/65/33/574006533.db2.gz GDWPQFAQGNNNKS-SNVBAGLBSA-N 1 0 199.225 1.006 10 10 ADCERO COC[C@H]([NH3+])c1cc(F)ccc1O 104491193 574010679 /nfs/dbraw/zinc/01/06/79/574010679.db2.gz KYCRPEMFEHBUME-QMMMGPOBSA-N 1 0 185.198 1.178 10 10 ADCERO COC[C@@H]([NH3+])c1c(O)ccc(F)c1C 104496586 574012810 /nfs/dbraw/zinc/01/28/10/574012810.db2.gz XWTNJYPPCGAUIS-MRVPVSSYSA-N 1 0 199.225 1.486 10 10 ADCERO COC[C@@H]([NH3+])c1cc(F)ccc1O 104505058 574019485 /nfs/dbraw/zinc/01/94/85/574019485.db2.gz KYCRPEMFEHBUME-MRVPVSSYSA-N 1 0 185.198 1.178 10 10 ADCERO CCC[C@@H]([NH3+])c1c(F)ccc(N)c1O 104511666 574023134 /nfs/dbraw/zinc/02/31/34/574023134.db2.gz UNQSMMLSPFCJSQ-SSDOTTSWSA-N 1 0 198.241 1.913 10 10 ADCERO CC(C)[C@@H]([NH3+])c1cc(N)cc(F)c1O 104513629 574023344 /nfs/dbraw/zinc/02/33/44/574023344.db2.gz PJWPGIGOOXGYPE-SECBINFHSA-N 1 0 198.241 1.769 10 10 ADCERO CC(C)[C@@H]([NH3+])c1cc(N)c(F)cc1O 104513624 574023350 /nfs/dbraw/zinc/02/33/50/574023350.db2.gz FWLWVLUSKSDVRP-SNVBAGLBSA-N 1 0 198.241 1.769 10 10 ADCERO C[C@@H]([NH3+])c1ccc(O)c(C[NH+](C)C)c1 104521983 574024838 /nfs/dbraw/zinc/02/48/38/574024838.db2.gz MYJSFFVJEAXFFG-MRVPVSSYSA-N 1 0 194.278 1.474 10 10 ADCERO COc1cc(N(C)C)ccc1[C@@H](C)[NH3+] 104521973 574024612 /nfs/dbraw/zinc/02/46/12/574024612.db2.gz UBFMMJLTUJUXRD-MRVPVSSYSA-N 1 0 194.278 1.781 10 10 ADCERO C[NH2+][C@H](C)c1cccc(F)c1[O-] 104522477 574024625 /nfs/dbraw/zinc/02/46/25/574024625.db2.gz ODZNVRDUZXGNGY-ZCFIWIBFSA-N 1 0 169.199 1.812 10 10 ADCERO COc1cc(OC)c(O)c([C@@H](C)[NH3+])c1 104524143 574024774 /nfs/dbraw/zinc/02/47/74/574024774.db2.gz BOKDEGHJZUSVHZ-ZCFIWIBFSA-N 1 0 197.234 1.429 10 10 ADCERO C[NH2+][C@H](CO)c1ccc(C)c(C)c1O 104519346 574024794 /nfs/dbraw/zinc/02/47/94/574024794.db2.gz PEGRXUSRLXMGDX-SNVBAGLBSA-N 1 0 195.262 1.262 10 10 ADCERO COc1ccc(OC)c([C@@H](C)[NH3+])c1O 104517386 574025662 /nfs/dbraw/zinc/02/56/62/574025662.db2.gz BHWMPNDOWJMXAF-ZCFIWIBFSA-N 1 0 197.234 1.429 10 10 ADCERO CCc1cc(OC)c(O)c([C@@H](C)[NH3+])c1 104524149 574025730 /nfs/dbraw/zinc/02/57/30/574025730.db2.gz NTBBVJFEXKRJAH-SSDOTTSWSA-N 1 0 195.262 1.983 10 10 ADCERO C[NH2+][C@H](CO)c1c(C)ccc(C)c1O 104519339 574025811 /nfs/dbraw/zinc/02/58/11/574025811.db2.gz WGKWKEAOISSXBS-SECBINFHSA-N 1 0 195.262 1.262 10 10 ADCERO C[NH2+][C@H](C)c1cc(OC)c(C)cc1O 104517979 574025877 /nfs/dbraw/zinc/02/58/77/574025877.db2.gz LXDOSKHTPQROBQ-MRVPVSSYSA-N 1 0 195.262 1.990 10 10 ADCERO C[NH2+][C@H](CO)c1c(C)cc(C)cc1O 104519330 574026015 /nfs/dbraw/zinc/02/60/15/574026015.db2.gz JKKLBYJGWREFFQ-SECBINFHSA-N 1 0 195.262 1.262 10 10 ADCERO C[NH2+][C@H](CO)c1cc(C)c(C)cc1O 104518707 574026103 /nfs/dbraw/zinc/02/61/03/574026103.db2.gz BYQJVNFWINITHX-SNVBAGLBSA-N 1 0 195.262 1.262 10 10 ADCERO Cc1cc([N+](=O)[O-])cc([C@@H](C)[NH3+])c1[O-] 104523759 574026213 /nfs/dbraw/zinc/02/62/13/574026213.db2.gz NYXZMIWODUNLLH-ZCFIWIBFSA-N 1 0 196.206 1.629 10 10 ADCERO C[C@@H]([NH3+])c1cc([O-])c(O)cc1[N+](=O)[O-] 104523769 574026287 /nfs/dbraw/zinc/02/62/87/574026287.db2.gz PJXLGMZKDSEGGU-SCSAIBSYSA-N 1 0 198.178 1.026 10 10 ADCERO COc1cc([C@@H](C)[NH3+])cc(O)c1O 104523776 574026342 /nfs/dbraw/zinc/02/63/42/574026342.db2.gz KNJKCNZGJHXZGY-RXMQYKEDSA-N 1 0 183.207 1.126 10 10 ADCERO C[NH2+][C@H](C)c1cc(O)c(O)c(OC)c1 104518656 574026424 /nfs/dbraw/zinc/02/64/24/574026424.db2.gz KADXEJMJECYCDK-ZCFIWIBFSA-N 1 0 197.234 1.387 10 10 ADCERO C[NH2+][C@H]1CCc2cccc(O)c21 147329029 486954599 /nfs/dbraw/zinc/95/45/99/486954599.db2.gz IQKACIYAXCLCEN-QMMMGPOBSA-N 1 0 163.220 1.599 10 10 ADCERO C[NH2+][C@@H]1CCc2cccc(O)c21 147328781 486954796 /nfs/dbraw/zinc/95/47/96/486954796.db2.gz IQKACIYAXCLCEN-MRVPVSSYSA-N 1 0 163.220 1.599 10 10 ADCERO Nc1ccc(NCC2(C[NH3+])CC2)cc1 841041268 582552074 /nfs/dbraw/zinc/55/20/74/582552074.db2.gz ZKMOCQFDRNDSEN-UHFFFAOYSA-N 1 0 191.278 1.420 10 10 ADCERO Nc1ccc(NC[C@H]2C[C@@H]([NH3+])C2)cc1 904354067 582636420 /nfs/dbraw/zinc/63/64/20/582636420.db2.gz VNKTUCLSRGOSIC-WAAGHKOSSA-N 1 0 191.278 1.418 10 10 ADCERO C[C@@H](CO)[N@H+](C)Cc1ccccc1O 220120705 582747544 /nfs/dbraw/zinc/74/75/44/582747544.db2.gz WJLZPISSSYBRDW-VIFPVBQESA-N 1 0 195.262 1.205 10 10 ADCERO CC[N@H+](C)Cc1c(O)cccc1OC 768237820 582834961 /nfs/dbraw/zinc/83/49/61/582834961.db2.gz VFALXGLEYYQUKX-UHFFFAOYSA-N 1 0 195.262 1.853 10 10 ADCERO COCCc1ccc(O)c([C@@H](C)[NH3+])c1 104451869 583117445 /nfs/dbraw/zinc/11/74/45/583117445.db2.gz JILBLBGRPPHDIY-MRVPVSSYSA-N 1 0 195.262 1.601 10 10 ADCERO CN(CCC[NH3+])c1ccc(N)cc1 863558643 583311114 /nfs/dbraw/zinc/31/11/14/583311114.db2.gz QWEBVQFWORZHMD-UHFFFAOYSA-N 1 0 179.267 1.054 10 10 ADCERO CCOc1ccc(N(C)CC[NH3+])cc1 20239329 583379638 /nfs/dbraw/zinc/37/96/38/583379638.db2.gz HLFVSYWNRLOSGL-UHFFFAOYSA-N 1 0 194.278 1.480 10 10 ADCERO CC[C@@H]([NH2+]CCO)c1ccccc1O 20596983 583381598 /nfs/dbraw/zinc/38/15/98/583381598.db2.gz DLKTXIVJBOAKLE-SNVBAGLBSA-N 1 0 195.262 1.425 10 10 ADCERO CC[C@H]([NH2+]CCO)c1ccccc1O 20596984 583381673 /nfs/dbraw/zinc/38/16/73/583381673.db2.gz DLKTXIVJBOAKLE-JTQLQIEISA-N 1 0 195.262 1.425 10 10 ADCERO CC(=O)C[NH2+][C@@H](C)c1ccccc1O 879649713 583422085 /nfs/dbraw/zinc/42/20/85/583422085.db2.gz DBHFVQHBLHHKSK-VIFPVBQESA-N 1 0 193.246 1.632 10 10 ADCERO CC(=O)C[NH2+][C@H](C)c1ccccc1O 879649711 583422106 /nfs/dbraw/zinc/42/21/06/583422106.db2.gz DBHFVQHBLHHKSK-SECBINFHSA-N 1 0 193.246 1.632 10 10 ADCERO COCCc1ccc(O)c([C@H](C)[NH3+])c1 211597465 583443250 /nfs/dbraw/zinc/44/32/50/583443250.db2.gz JILBLBGRPPHDIY-QMMMGPOBSA-N 1 0 195.262 1.601 10 10 ADCERO C[C@H](NC1C[NH2+]C1)c1ccccc1O 215965036 583482232 /nfs/dbraw/zinc/48/22/32/583482232.db2.gz CSMQHLFXFFRFGP-QMMMGPOBSA-N 1 0 192.262 1.015 10 10 ADCERO C[C@@H](NC1C[NH2+]C1)c1ccccc1O 215965080 583482456 /nfs/dbraw/zinc/48/24/56/583482456.db2.gz CSMQHLFXFFRFGP-MRVPVSSYSA-N 1 0 192.262 1.015 10 10 ADCERO CC[C@@H](O)C[NH2+]Cc1ccccc1O 229963520 1188791348 /nfs/dbraw/zinc/79/13/48/1188791348.db2.gz UNTMXMZBWTZPHF-SNVBAGLBSA-N 1 0 195.262 1.253 10 10 ADCERO OCC1([NH2+]Cc2ccccc2O)CC1 159651603 697659656 /nfs/dbraw/zinc/65/96/56/697659656.db2.gz CNBCQVRVGWAYIQ-UHFFFAOYSA-N 1 0 193.246 1.007 10 10 ADCERO CC[N@H+](C)Cc1cc(F)ccc1O 226562124 697692839 /nfs/dbraw/zinc/69/28/39/697692839.db2.gz BWJIFOGOJFLDKB-UHFFFAOYSA-N 1 0 183.226 1.983 10 10 ADCERO C[C@@H](CF)[NH2+]Cc1ccccc1O 388253110 697947344 /nfs/dbraw/zinc/94/73/44/697947344.db2.gz AIZVIIJTLHOYAD-QMMMGPOBSA-N 1 0 183.226 1.840 10 10 ADCERO CC1C[NH+](Cc2cc(F)ccc2O)C1 802651405 698101273 /nfs/dbraw/zinc/10/12/73/698101273.db2.gz OLJHZOXVRMKGSX-UHFFFAOYSA-N 1 0 195.237 1.983 10 10 ADCERO Cc1cccc(O)c1[C@@H](C)[NH3+] 145531832 325624169 /nfs/dbraw/zinc/62/41/69/325624169.db2.gz WAZZURDGDKLQLZ-SSDOTTSWSA-N 1 0 151.209 1.720 10 10 ADCERO C[C@@H]1CN(c2ccc(N)cc2)CC[NH2+]1 35064833 132187977 /nfs/dbraw/zinc/18/79/77/132187977.db2.gz DJVJJFDZNRYSHR-SECBINFHSA-N 1 0 191.278 1.067 10 10 ADCERO C[C@H]1CN(c2ccc(N)cc2)CC[NH2+]1 39115481 132189555 /nfs/dbraw/zinc/18/95/55/132189555.db2.gz DJVJJFDZNRYSHR-VIFPVBQESA-N 1 0 191.278 1.067 10 10 ADCERO C=Cc1ccc(N2CC[NH2+]CC2)cc1 39115297 132189578 /nfs/dbraw/zinc/18/95/78/132189578.db2.gz GOAKKKDKFMGSFB-UHFFFAOYSA-N 1 0 188.274 1.739 10 10 ADCERO CC1=[NH+]CCN1c1ccc(N)cc1 11847805 343025796 /nfs/dbraw/zinc/02/57/96/343025796.db2.gz GOFJZMXUIIIWEW-UHFFFAOYSA-N 1 0 175.235 1.507 10 10 ADCERO Cc1ccc([C@@H]([NH3+])CCO)c(O)c1 44234193 343262904 /nfs/dbraw/zinc/26/29/04/343262904.db2.gz MBCMJHMGCCCCKH-VIFPVBQESA-N 1 0 181.235 1.083 10 10 ADCERO C[C@@H]([NH3+])CCc1ccc(O)c(O)c1 59957718 343349374 /nfs/dbraw/zinc/34/93/74/343349374.db2.gz BKSXKHLJABSJGW-SSDOTTSWSA-N 1 0 181.235 1.378 10 10 ADCERO Cn1cccc1/C=C/CC[NH3+] 69050692 343424849 /nfs/dbraw/zinc/42/48/49/343424849.db2.gz KLBYAINKRWXYAK-GORDUTHDSA-N 1 0 150.225 1.387 10 10 ADCERO [NH3+][C@H](CF)c1ccc(O)c(O)c1 107123074 343741994 /nfs/dbraw/zinc/74/19/94/343741994.db2.gz VYAFUTXRUPUVPL-ZCFIWIBFSA-N 1 0 171.171 1.067 10 10 ADCERO [NH3+][C@@H](CF)c1ccc(O)c(O)c1 107123076 343741999 /nfs/dbraw/zinc/74/19/99/343741999.db2.gz VYAFUTXRUPUVPL-LURJTMIESA-N 1 0 171.171 1.067 10 10 ADCERO C1=CC=C2NCCC[NH+]=C2C=C1 196398216 166073741 /nfs/dbraw/zinc/07/37/41/166073741.db2.gz RQWMDIWANWEPGV-UHFFFAOYSA-N 1 0 160.220 1.431 10 10 ADCERO C1=CC=C2NCC[NH+]=C2C=C1 34241491 166074920 /nfs/dbraw/zinc/07/49/20/166074920.db2.gz QUMCESBJYUCSPE-UHFFFAOYSA-N 1 0 146.193 1.041 10 10 ADCERO C=Cc1ccc(O)c([C@@H]([NH3+])CO)c1 72197403 166223026 /nfs/dbraw/zinc/22/30/26/166223026.db2.gz NFHGHGGUCZWNCM-VIFPVBQESA-N 1 0 179.219 1.027 10 10 ADCERO C=Cc1ccc(O)c([C@H]([NH3+])CO)c1 72197402 166223209 /nfs/dbraw/zinc/22/32/09/166223209.db2.gz NFHGHGGUCZWNCM-SECBINFHSA-N 1 0 179.219 1.027 10 10 ADCERO CC(C)(C)[NH2+]Cc1ccc(O)cc1O 22141162 166364938 /nfs/dbraw/zinc/36/49/38/166364938.db2.gz KTFUGQIDHHIATF-UHFFFAOYSA-N 1 0 195.262 1.986 10 10 ADCERO CC(C)(C)[NH2+]Cc1cccc(O)c1O 41049366 166365068 /nfs/dbraw/zinc/36/50/68/166365068.db2.gz TVMAFOYDIXUANL-UHFFFAOYSA-N 1 0 195.262 1.986 10 10 ADCERO CC(C)(C)[NH2+]Cc1cc(O)ccc1O 83342290 166365375 /nfs/dbraw/zinc/36/53/75/166365375.db2.gz MOODTDJIIRWPJW-UHFFFAOYSA-N 1 0 195.262 1.986 10 10 ADCERO CC(C)(C)[NH2+]Cc1ccc(O)c(O)c1 21961024 166366457 /nfs/dbraw/zinc/36/64/57/166366457.db2.gz GYOJCAJAMFIWOC-UHFFFAOYSA-N 1 0 195.262 1.986 10 10 ADCERO CC(C)(C[NH3+])Sc1nccs1 82636180 166395412 /nfs/dbraw/zinc/39/54/12/166395412.db2.gz BYLMXNLGVDZGFU-UHFFFAOYSA-N 1 0 188.321 1.973 10 10 ADCERO CC(C)([NH3+])Cc1ccc(O)c(O)c1 82873793 166402387 /nfs/dbraw/zinc/40/23/87/166402387.db2.gz CIAVSEPOCXYZEA-UHFFFAOYSA-N 1 0 181.235 1.378 10 10 ADCERO CC(C)([NH3+])c1ccccc1O 33487308 166405978 /nfs/dbraw/zinc/40/59/78/166405978.db2.gz GRPWEOLAJWBIQM-UHFFFAOYSA-N 1 0 151.209 1.586 10 10 ADCERO CC(C)[C@@H](C[NH3+])c1ccc(O)c(O)c1 82907449 166574576 /nfs/dbraw/zinc/57/45/76/166574576.db2.gz GFDSOUGOQCCTRL-SECBINFHSA-N 1 0 195.262 1.796 10 10 ADCERO CCC[NH2+]CCc1ccc(N)cc1 40397998 166987867 /nfs/dbraw/zinc/98/78/67/166987867.db2.gz RBWTUZHMTCQSQJ-UHFFFAOYSA-N 1 0 178.279 1.811 10 10 ADCERO CC1CN(c2ccc(C[NH3+])cc2F)C1 133894882 343929279 /nfs/dbraw/zinc/92/92/79/343929279.db2.gz NACXFBVBSOOGLY-UHFFFAOYSA-N 1 0 194.253 1.741 10 10 ADCERO CCC[C@H]([NH3+])c1ccc(O)cc1O 82726967 167083294 /nfs/dbraw/zinc/08/32/94/167083294.db2.gz KYTWFMDWTQHWHZ-VIFPVBQESA-N 1 0 181.235 1.898 10 10 ADCERO CCCc1cc(C[NH3+])c(O)c(OC)c1 29219765 167098721 /nfs/dbraw/zinc/09/87/21/167098721.db2.gz YKXMURZJQUVAMV-UHFFFAOYSA-N 1 0 195.262 1.812 10 10 ADCERO CCCc1ccc(O)c(C[NH3+])c1 29218445 167103215 /nfs/dbraw/zinc/10/32/15/167103215.db2.gz DMUOQDXQTFSPCQ-UHFFFAOYSA-N 1 0 165.236 1.803 10 10 ADCERO CC[N@H+](C)CCc1ccc(N)cc1 37078990 167141839 /nfs/dbraw/zinc/14/18/39/167141839.db2.gz ZQVLMCKLNOXWQI-UHFFFAOYSA-N 1 0 178.279 1.763 10 10 ADCERO CC[N@H+](C)Cc1cc(N)ccc1O 37273138 167144853 /nfs/dbraw/zinc/14/48/53/167144853.db2.gz FPWNPXQGVHKBHV-UHFFFAOYSA-N 1 0 180.251 1.426 10 10 ADCERO CCN(C)c1ccc(C[NH3+])cc1C 37733188 167149225 /nfs/dbraw/zinc/14/92/25/167149225.db2.gz HYZUDLNCBDMDQK-UHFFFAOYSA-N 1 0 178.279 1.910 10 10 ADCERO CCN(C)c1ccc(C[NH3+])c(C)c1 50581697 167149803 /nfs/dbraw/zinc/14/98/03/167149803.db2.gz HAZWJRBBYFXSKM-UHFFFAOYSA-N 1 0 178.279 1.910 10 10 ADCERO CCN(C)c1ccc(C[NH3+])cc1 37078071 167150733 /nfs/dbraw/zinc/15/07/33/167150733.db2.gz LKTLWWLRYWNCAX-UHFFFAOYSA-N 1 0 164.252 1.601 10 10 ADCERO CCN(C)c1ccc(C[NH2+]C)cc1 34824606 167151526 /nfs/dbraw/zinc/15/15/26/167151526.db2.gz CWOQSFHDIDFYAX-UHFFFAOYSA-N 1 0 178.279 1.862 10 10 ADCERO CC[NH+](CC)Cc1cc(O)ccc1O 73647536 167171003 /nfs/dbraw/zinc/17/10/03/167171003.db2.gz FNDXNYZTCWDDGH-UHFFFAOYSA-N 1 0 195.262 1.940 10 10 ADCERO CCN(CC)c1ccc(C[NH3+])c(O)c1 83342167 167173801 /nfs/dbraw/zinc/17/38/01/167173801.db2.gz DYMVWDWEFBYNCA-UHFFFAOYSA-N 1 0 194.278 1.697 10 10 ADCERO CC[NH2+]CCSc1nccs1 42409053 167269611 /nfs/dbraw/zinc/26/96/11/167269611.db2.gz FOJIFIKVVMGTCG-UHFFFAOYSA-N 1 0 188.321 1.845 10 10 ADCERO CC[NH2+]Cc1ccc(O)cc1O 19516680 167273731 /nfs/dbraw/zinc/27/37/31/167273731.db2.gz YZAIJBJIJMUUQS-UHFFFAOYSA-N 1 0 167.208 1.207 10 10 ADCERO CC[NH2+]Cc1cc(C)ccc1O 70954495 167274382 /nfs/dbraw/zinc/27/43/82/167274382.db2.gz WCCAIOGUHDFCBQ-UHFFFAOYSA-N 1 0 165.236 1.810 10 10 ADCERO CC[NH2+]Cc1ccc(OC)cc1O 32023610 167274766 /nfs/dbraw/zinc/27/47/66/167274766.db2.gz FSMRNIKSSKQHGB-UHFFFAOYSA-N 1 0 181.235 1.510 10 10 ADCERO CC[NH2+]Cc1cc(O)ccc1O 83339844 167274961 /nfs/dbraw/zinc/27/49/61/167274961.db2.gz XQMWCAZYXQNGPF-UHFFFAOYSA-N 1 0 167.208 1.207 10 10 ADCERO CC[NH2+]Cc1cc(OC)ccc1O 20084630 167275195 /nfs/dbraw/zinc/27/51/95/167275195.db2.gz VVWAZPCPMPMXDF-UHFFFAOYSA-N 1 0 181.235 1.510 10 10 ADCERO CC[NH2+]Cc1ccc(C)cc1O 83339805 167275215 /nfs/dbraw/zinc/27/52/15/167275215.db2.gz TWAYPFSMUVHUNY-UHFFFAOYSA-N 1 0 165.236 1.810 10 10 ADCERO CC[NH2+]Cc1cc2c(cc1O)OCO2 42878984 167275600 /nfs/dbraw/zinc/27/56/00/167275600.db2.gz DREAPCUPFPHAJV-UHFFFAOYSA-N 1 0 195.218 1.230 10 10 ADCERO CC[NH2+]Cc1cccc(O)c1O 41049369 167277182 /nfs/dbraw/zinc/27/71/82/167277182.db2.gz VKNJYKQTMCTXFP-UHFFFAOYSA-N 1 0 167.208 1.207 10 10 ADCERO CC[NH2+]Cc1cccc(OCC)c1O 19434204 167277460 /nfs/dbraw/zinc/27/74/60/167277460.db2.gz ZOPCLKXCVQHZBB-UHFFFAOYSA-N 1 0 195.262 1.900 10 10 ADCERO CC[NH2+]Cc1ccc2c(c1)CCN2C 50285752 167278317 /nfs/dbraw/zinc/27/83/17/167278317.db2.gz ZRSJBKDPXIXCTP-UHFFFAOYSA-N 1 0 190.290 1.788 10 10 ADCERO CC[NH2+]Cc1cccc(C)c1O 83339804 167278432 /nfs/dbraw/zinc/27/84/32/167278432.db2.gz GCONZGSAQKVNOH-UHFFFAOYSA-N 1 0 165.236 1.810 10 10 ADCERO CC[NH2+][C@@H](C)c1ccc(O)cc1O 19475713 167283382 /nfs/dbraw/zinc/28/33/82/167283382.db2.gz GBOFPSMJZNEPHG-ZETCQYMHSA-N 1 0 181.235 1.768 10 10 ADCERO CC[NH2+][C@@H](C)c1cc(O)ccc1O 19801949 167284773 /nfs/dbraw/zinc/28/47/73/167284773.db2.gz RGMIMYUFUWRFQV-ZETCQYMHSA-N 1 0 181.235 1.768 10 10 ADCERO CC[NH2+][C@@H](C)Cc1ccc(O)c(O)c1 5853316 167285252 /nfs/dbraw/zinc/28/52/52/167285252.db2.gz CKUGRMSDBDIJRN-QMMMGPOBSA-N 1 0 195.262 1.638 10 10 ADCERO CC[NH2+][C@H](C)c1ccc(O)cc1O 19475715 167295684 /nfs/dbraw/zinc/29/56/84/167295684.db2.gz GBOFPSMJZNEPHG-SSDOTTSWSA-N 1 0 181.235 1.768 10 10 ADCERO CC[NH2+][C@H](C)c1cc(O)ccc1O 19801952 167295807 /nfs/dbraw/zinc/29/58/07/167295807.db2.gz RGMIMYUFUWRFQV-SSDOTTSWSA-N 1 0 181.235 1.768 10 10 ADCERO CC[NH2+][C@H](C)Cc1ccc(O)c(O)c1 5853365 167296497 /nfs/dbraw/zinc/29/64/97/167296497.db2.gz CKUGRMSDBDIJRN-MRVPVSSYSA-N 1 0 195.262 1.638 10 10 ADCERO CCOC(=O)C([N+]#N)c1ccccc1 40448589 167323195 /nfs/dbraw/zinc/32/31/95/167323195.db2.gz DYCIOVIEGYZBJP-UHFFFAOYSA-N 1 0 190.202 1.269 10 10 ADCERO CCOc1ccc(O)c([C@H](C)[NH3+])c1 71455094 167420709 /nfs/dbraw/zinc/42/07/09/167420709.db2.gz HNYSSVDZOUGKEU-ZETCQYMHSA-N 1 0 181.235 1.811 10 10 ADCERO CC[C@@H](C)[NH2+]Cc1ccc(O)c(O)c1 19881941 167476595 /nfs/dbraw/zinc/47/65/95/167476595.db2.gz DEPGPWCXMLSRSU-MRVPVSSYSA-N 1 0 195.262 1.986 10 10 ADCERO CC[C@@H]([NH3+])c1ccc(O)c(O)c1O 71452011 167529623 /nfs/dbraw/zinc/52/96/23/167529623.db2.gz GDOTYBGVLHJORD-ZCFIWIBFSA-N 1 0 183.207 1.213 10 10 ADCERO CC[C@@H]1[NH2+]CCc2c1ccc(O)c2O 83656029 167569988 /nfs/dbraw/zinc/56/99/88/167569988.db2.gz XHBYVLBYGGTGRS-VIFPVBQESA-N 1 0 193.246 1.695 10 10 ADCERO CC[C@H](C)[NH2+]Cc1ccc(O)c(O)c1 19881942 167615043 /nfs/dbraw/zinc/61/50/43/167615043.db2.gz DEPGPWCXMLSRSU-QMMMGPOBSA-N 1 0 195.262 1.986 10 10 ADCERO CC[C@H]([NH3+])c1ccc(OC)cc1O 95672842 167659614 /nfs/dbraw/zinc/65/96/14/167659614.db2.gz PYJBWYISTFKUKU-VIFPVBQESA-N 1 0 181.235 1.811 10 10 ADCERO C[NH+](C)C[C@H]1Cc2c1ccc(O)c2O 29209209 167843643 /nfs/dbraw/zinc/84/36/43/167843643.db2.gz HAWYTPSISSBBQN-SSDOTTSWSA-N 1 0 193.246 1.299 10 10 ADCERO C[NH+](C)Cc1cc(N)ccc1O 34380716 167846554 /nfs/dbraw/zinc/84/65/54/167846554.db2.gz RLIPTWJEXQXBQZ-UHFFFAOYSA-N 1 0 166.224 1.036 10 10 ADCERO CN(C)c1ccc(/C=C/C[NH3+])cc1 70184781 167854294 /nfs/dbraw/zinc/85/42/94/167854294.db2.gz MZJSWIGPHKFUEY-ONEGZZNKSA-N 1 0 176.263 1.725 10 10 ADCERO CN(C)c1c(F)cc(C[NH3+])cc1F 62709725 167854563 /nfs/dbraw/zinc/85/45/63/167854563.db2.gz PCPZQSCETBCNQW-UHFFFAOYSA-N 1 0 186.205 1.490 10 10 ADCERO CN(C)c1ccc(C[NH3+])c(Cl)c1 44547482 167856773 /nfs/dbraw/zinc/85/67/73/167856773.db2.gz DEZBIXXCKOEFCW-UHFFFAOYSA-N 1 0 184.670 1.865 10 10 ADCERO C[N@@H+]1CCC[C@@H]1Cc1ccc(N)cc1 39416766 167905971 /nfs/dbraw/zinc/90/59/71/167905971.db2.gz VDSNKERDALCECS-GFCCVEGCSA-N 1 0 190.290 1.906 10 10 ADCERO C[NH2+]C[C@@H](C)c1ccc(O)c(O)c1 56870891 168004669 /nfs/dbraw/zinc/00/46/69/168004669.db2.gz GADNXORTHJZMLX-SSDOTTSWSA-N 1 0 181.235 1.421 10 10 ADCERO C[NH2+]C[C@@H](C)Sc1nccs1 53647032 168005729 /nfs/dbraw/zinc/00/57/29/168005729.db2.gz WYZDGBUPKVLBAS-ZCFIWIBFSA-N 1 0 188.321 1.843 10 10 ADCERO C[NH2+]C[C@@H]1CCc2c1ccc(O)c2O 29210365 168006771 /nfs/dbraw/zinc/00/67/71/168006771.db2.gz YOQZSZXAEUVQAT-ZETCQYMHSA-N 1 0 193.246 1.347 10 10 ADCERO C[NH2+]C[C@H](C)Sc1nccs1 53647030 168011054 /nfs/dbraw/zinc/01/10/54/168011054.db2.gz WYZDGBUPKVLBAS-LURJTMIESA-N 1 0 188.321 1.843 10 10 ADCERO C[NH2+]C[C@H](C)c1ccc(O)c(O)c1 56870890 168011261 /nfs/dbraw/zinc/01/12/61/168011261.db2.gz GADNXORTHJZMLX-ZETCQYMHSA-N 1 0 181.235 1.421 10 10 ADCERO C[NH2+]C[C@H]1CCc2c1ccc(O)c2O 29210370 168013899 /nfs/dbraw/zinc/01/38/99/168013899.db2.gz YOQZSZXAEUVQAT-SSDOTTSWSA-N 1 0 193.246 1.347 10 10 ADCERO C[NH2+]Cc1c(C)cc(C)cc1O 96862338 168014358 /nfs/dbraw/zinc/01/43/58/168014358.db2.gz FBUUSHQELSZEOS-UHFFFAOYSA-N 1 0 165.236 1.728 10 10 ADCERO C[NH2+]Cc1cc(C)cc(C)c1O 96862340 168015995 /nfs/dbraw/zinc/01/59/95/168015995.db2.gz PWCOYMGJYXAIQW-UHFFFAOYSA-N 1 0 165.236 1.728 10 10 ADCERO C[NH2+]Cc1cc(OC)ccc1O 20083943 168016551 /nfs/dbraw/zinc/01/65/51/168016551.db2.gz ASPFOIBRMXOALL-UHFFFAOYSA-N 1 0 167.208 1.120 10 10 ADCERO C[NH2+]Cc1c(C)ccc(C)c1O 82855984 168016737 /nfs/dbraw/zinc/01/67/37/168016737.db2.gz AUPACUZJLBFZSF-UHFFFAOYSA-N 1 0 165.236 1.728 10 10 ADCERO C[NH2+]Cc1cc(C)ccc1O 45793168 168016791 /nfs/dbraw/zinc/01/67/91/168016791.db2.gz UTIAPQQYLHNDGD-UHFFFAOYSA-N 1 0 151.209 1.420 10 10 ADCERO C[NH2+]Cc1ccc(OC)cc1O 19776831 168017705 /nfs/dbraw/zinc/01/77/05/168017705.db2.gz FXCDUOOQFQRHKO-UHFFFAOYSA-N 1 0 167.208 1.120 10 10 ADCERO C[NH2+]Cc1ccc(N(C)C)cc1C 50581545 168018070 /nfs/dbraw/zinc/01/80/70/168018070.db2.gz VHZUALAYPGLIBE-UHFFFAOYSA-N 1 0 178.279 1.780 10 10 ADCERO C[NH2+]Cc1cccc(C)c1O 83339543 168018189 /nfs/dbraw/zinc/01/81/89/168018189.db2.gz SJUSNFNWMGMSEK-UHFFFAOYSA-N 1 0 151.209 1.420 10 10 ADCERO C[NH2+]Cc1ccc2[nH]c(C)cc2c1O 82888076 168018404 /nfs/dbraw/zinc/01/84/04/168018404.db2.gz PSRIQCMSARLTLD-UHFFFAOYSA-N 1 0 190.246 1.901 10 10 ADCERO C[NH2+]Cc1ccc(C)cc1O 82840833 168018599 /nfs/dbraw/zinc/01/85/99/168018599.db2.gz TVFNTLGWQIUKMM-UHFFFAOYSA-N 1 0 151.209 1.420 10 10 ADCERO C[NH2+]Cc1ccc2c(c1)COCO2 82871211 168018667 /nfs/dbraw/zinc/01/86/67/168018667.db2.gz BMVCTIWQAPMFCB-UHFFFAOYSA-N 1 0 179.219 1.273 10 10 ADCERO C[NH2+]Cc1ccc(OC)c(COC)c1 16942010 168018832 /nfs/dbraw/zinc/01/88/32/168018832.db2.gz OQSXUAJPRKGWHI-UHFFFAOYSA-N 1 0 195.262 1.561 10 10 ADCERO C[NH2+]Cc1ccc(N(C)C)c(F)c1 34824259 168019090 /nfs/dbraw/zinc/01/90/90/168019090.db2.gz AUOGHYHMKJYKSE-UHFFFAOYSA-N 1 0 182.242 1.611 10 10 ADCERO C[NH2+]Cc1ccc2[nH]ccc2c1O 82868973 168019260 /nfs/dbraw/zinc/01/92/60/168019260.db2.gz OLYKTLXEXRFTDL-UHFFFAOYSA-N 1 0 176.219 1.593 10 10 ADCERO C[NH2+]Cc1ccc2c(c1)CCCO2 34936257 168019310 /nfs/dbraw/zinc/01/93/10/168019310.db2.gz OYZVOCNCDRSGDZ-UHFFFAOYSA-N 1 0 177.247 1.731 10 10 in-vitro ADCERO C[NH2+]Cc1ccc(N(C)C)c(C)c1 50559995 168019318 /nfs/dbraw/zinc/01/93/18/168019318.db2.gz TXWVVYFRSASSMY-UHFFFAOYSA-N 1 0 178.279 1.780 10 10 ADCERO C[NH2+][C@@H](C)Cc1ccc(N)cc1 1641503 168033188 /nfs/dbraw/zinc/03/31/88/168033188.db2.gz CCAQCUJAADGTGQ-QMMMGPOBSA-N 1 0 164.252 1.419 10 10 ADCERO C[NH2+][C@@H](C)c1ccc2c(c1)CCN2C 19722096 168033850 /nfs/dbraw/zinc/03/38/50/168033850.db2.gz LRAOCIONEPFNIF-VIFPVBQESA-N 1 0 190.290 1.959 10 10 ADCERO C[NH2+][C@@H](C)c1ccc(C)cc1O 20083847 168033884 /nfs/dbraw/zinc/03/38/84/168033884.db2.gz WMBXEFACWVMHKN-QMMMGPOBSA-N 1 0 165.236 1.981 10 10 ADCERO C[NH2+][C@@H](C)c1ccc(OC)cc1O 20083919 168033890 /nfs/dbraw/zinc/03/38/90/168033890.db2.gz QCODOFVRKCQLFL-ZETCQYMHSA-N 1 0 181.235 1.681 10 10 ADCERO C[NH2+][C@@H](C)c1cc(OC)ccc1O 22148307 168034274 /nfs/dbraw/zinc/03/42/74/168034274.db2.gz JOCINOKXECURSI-ZETCQYMHSA-N 1 0 181.235 1.681 10 10 ADCERO C[NH2+][C@@H](C)c1cc(O)ccc1O 21966047 168034979 /nfs/dbraw/zinc/03/49/79/168034979.db2.gz KWPGONVIHWQYFL-LURJTMIESA-N 1 0 167.208 1.378 10 10 ADCERO C[NH2+][C@@H](C)c1ccc(O)cc1O 21964852 168035059 /nfs/dbraw/zinc/03/50/59/168035059.db2.gz FFDMUNLIMVJAKD-LURJTMIESA-N 1 0 167.208 1.378 10 10 ADCERO C[NH2+][C@@H](C)c1cc(C)ccc1O 24863206 168035492 /nfs/dbraw/zinc/03/54/92/168035492.db2.gz UUGWFKBHAKBDLO-QMMMGPOBSA-N 1 0 165.236 1.981 10 10 ADCERO C[NH2+][C@H](C)Cc1ccc(N)cc1 2048759 168051237 /nfs/dbraw/zinc/05/12/37/168051237.db2.gz CCAQCUJAADGTGQ-MRVPVSSYSA-N 1 0 164.252 1.419 10 10 ADCERO C[NH2+][C@H](C)c1cc(OC)ccc1O 22148311 168051337 /nfs/dbraw/zinc/05/13/37/168051337.db2.gz JOCINOKXECURSI-SSDOTTSWSA-N 1 0 181.235 1.681 10 10 ADCERO C[NH2+][C@H](C)c1cc(O)ccc1O 21966052 168051470 /nfs/dbraw/zinc/05/14/70/168051470.db2.gz KWPGONVIHWQYFL-ZCFIWIBFSA-N 1 0 167.208 1.378 10 10 ADCERO C[NH2+][C@H](C)c1ccc(O)cc1O 21964857 168051709 /nfs/dbraw/zinc/05/17/09/168051709.db2.gz FFDMUNLIMVJAKD-ZCFIWIBFSA-N 1 0 167.208 1.378 10 10 ADCERO C[NH2+][C@H](C)c1ccc(OC)cc1O 20083922 168051933 /nfs/dbraw/zinc/05/19/33/168051933.db2.gz QCODOFVRKCQLFL-SSDOTTSWSA-N 1 0 181.235 1.681 10 10 ADCERO C[NH2+][C@H](C)c1ccc(C)cc1O 20083849 168052089 /nfs/dbraw/zinc/05/20/89/168052089.db2.gz WMBXEFACWVMHKN-MRVPVSSYSA-N 1 0 165.236 1.981 10 10 ADCERO C[NH2+][C@H](C)c1cc(C)ccc1O 24863210 168052117 /nfs/dbraw/zinc/05/21/17/168052117.db2.gz UUGWFKBHAKBDLO-MRVPVSSYSA-N 1 0 165.236 1.981 10 10 ADCERO C[NH2+][C@H](C)c1ccc2c(c1)CCN2C 19722099 168052765 /nfs/dbraw/zinc/05/27/65/168052765.db2.gz LRAOCIONEPFNIF-SECBINFHSA-N 1 0 190.290 1.959 10 10 ADCERO COCC[NH2+]Cc1ccc(N)cc1 53293127 168167804 /nfs/dbraw/zinc/16/78/04/168167804.db2.gz ZWKIQKGSORSPTH-UHFFFAOYSA-N 1 0 180.251 1.005 10 10 ADCERO COC[C@H](C)Nc1ccc(N)cc1 20382429 168189983 /nfs/dbraw/zinc/18/99/83/168189983.db2.gz IKSKRIGXFHSLOR-QMMMGPOBSA-N 1 0 180.251 1.716 10 10 ADCERO COc1c(O)c(C[NH3+])cc2ccoc12 82891973 168227503 /nfs/dbraw/zinc/22/75/03/168227503.db2.gz OOUFHVGABPPWSD-UHFFFAOYSA-N 1 0 193.202 1.606 10 10 ADCERO COc1cc(C)cc(C[NH3+])c1O 29218787 168230034 /nfs/dbraw/zinc/23/00/34/168230034.db2.gz KANYWZHXSQHXAU-UHFFFAOYSA-N 1 0 167.208 1.168 10 10 ADCERO COc1ccc(C(=O)C[N+]#N)cc1 37625987 168244302 /nfs/dbraw/zinc/24/43/02/168244302.db2.gz UEHXIAGUEPEVPK-UHFFFAOYSA-N 1 0 176.175 1.179 10 10 ADCERO COc1ccc(C[NH+](C)C)c(O)c1 142220486 168249693 /nfs/dbraw/zinc/24/96/93/168249693.db2.gz ATRAEXFNXQWTME-UHFFFAOYSA-N 1 0 181.235 1.462 10 10 ADCERO COc1ccc(N(C)[C@H](C)C[NH3+])cc1 20260857 168254485 /nfs/dbraw/zinc/25/44/85/168254485.db2.gz GVTFMMJXUZUSIO-SECBINFHSA-N 1 0 194.278 1.479 10 10 ADCERO COc1ccc(N(C)[C@@H](C)C[NH3+])cc1 20260854 168255137 /nfs/dbraw/zinc/25/51/37/168255137.db2.gz GVTFMMJXUZUSIO-VIFPVBQESA-N 1 0 194.278 1.479 10 10 ADCERO COc1ccc([C@@H](C)[NH3+])c(O)c1 20083503 168256698 /nfs/dbraw/zinc/25/66/98/168256698.db2.gz MUIJMEXMRKCHFK-ZCFIWIBFSA-N 1 0 167.208 1.421 10 10 ADCERO COc1ccc([C@@H]2CCC[NH2+]2)c(O)c1 40442618 168257504 /nfs/dbraw/zinc/25/75/04/168257504.db2.gz ZKIPVWCABMIZDR-JTQLQIEISA-N 1 0 193.246 1.825 10 10 ADCERO COc1ccc([C@@H]2CC[NH2+]2)c(O)c1O 39090512 168258057 /nfs/dbraw/zinc/25/80/57/168258057.db2.gz RLESZPUNNKZKKR-ZETCQYMHSA-N 1 0 195.218 1.141 10 10 ADCERO COc1ccc([C@H]2CC[NH2+]2)c(O)c1O 39090513 168259046 /nfs/dbraw/zinc/25/90/46/168259046.db2.gz RLESZPUNNKZKKR-SSDOTTSWSA-N 1 0 195.218 1.141 10 10 ADCERO COc1ccc([C@H]2CCC[NH2+]2)c(O)c1 72201650 168259579 /nfs/dbraw/zinc/25/95/79/168259579.db2.gz ZKIPVWCABMIZDR-SNVBAGLBSA-N 1 0 193.246 1.825 10 10 ADCERO COc1ccc([C@H](C)[NH3+])c(O)c1 20083506 168259755 /nfs/dbraw/zinc/25/97/55/168259755.db2.gz MUIJMEXMRKCHFK-LURJTMIESA-N 1 0 167.208 1.421 10 10 ADCERO COc1ccc([N+](C)(C)C)cc1 5377533 168260271 /nfs/dbraw/zinc/26/02/71/168260271.db2.gz MDFGRZIIWGCQCF-UHFFFAOYSA-N 1 0 166.244 1.892 10 10 ADCERO COc1ccc2c(c1)[C@H](C[NH3+])CN2C 71484073 168262631 /nfs/dbraw/zinc/26/26/31/168262631.db2.gz BTMYNOYZXZCBFE-MRVPVSSYSA-N 1 0 192.262 1.187 10 10 ADCERO COc1ccc2c(c1)[C@@H]([NH3+])CN2C 19722009 168263165 /nfs/dbraw/zinc/26/31/65/168263165.db2.gz IIGSASBXGDCEEN-VIFPVBQESA-N 1 0 178.235 1.145 10 10 ADCERO COc1ccc2c(c1)[C@@H](C[NH3+])CN2C 71484071 168263617 /nfs/dbraw/zinc/26/36/17/168263617.db2.gz BTMYNOYZXZCBFE-QMMMGPOBSA-N 1 0 192.262 1.187 10 10 ADCERO COc1ccc2c(c1O)[C@@H](C)[NH2+]CC2 6031912 168264356 /nfs/dbraw/zinc/26/43/56/168264356.db2.gz ABQXHDZNTSTAKX-SSDOTTSWSA-N 1 0 193.246 1.608 10 10 ADCERO COc1ccc2c(c1O)[C@H](C)[NH2+]CC2 6067130 168264811 /nfs/dbraw/zinc/26/48/11/168264811.db2.gz ABQXHDZNTSTAKX-ZETCQYMHSA-N 1 0 193.246 1.608 10 10 ADCERO COc1ccc2c(c1)[C@H]([NH3+])CN2C 19722007 168265235 /nfs/dbraw/zinc/26/52/35/168265235.db2.gz IIGSASBXGDCEEN-SECBINFHSA-N 1 0 178.235 1.145 10 10 ADCERO COc1cccc([C@@H](C)[NH3+])c1O 83591536 168270448 /nfs/dbraw/zinc/27/04/48/168270448.db2.gz WDDKVEAKUIBZEB-ZCFIWIBFSA-N 1 0 167.208 1.421 10 10 ADCERO COc1cccc(O)c1[C@@H](C)[NH3+] 34334225 168270492 /nfs/dbraw/zinc/27/04/92/168270492.db2.gz RAUUSAQUBYOICH-ZCFIWIBFSA-N 1 0 167.208 1.421 10 10 ADCERO COc1cccc(O)c1[C@@H]1CCC[NH2+]1 72201653 168270564 /nfs/dbraw/zinc/27/05/64/168270564.db2.gz MSXRQGPMTQJMGN-QMMMGPOBSA-N 1 0 193.246 1.825 10 10 ADCERO COc1cccc(O)c1[C@H]1CCC[NH2+]1 72201654 168270685 /nfs/dbraw/zinc/27/06/85/168270685.db2.gz MSXRQGPMTQJMGN-MRVPVSSYSA-N 1 0 193.246 1.825 10 10 ADCERO COc1cccc([C@H](C)[NH3+])c1O 83591533 168272646 /nfs/dbraw/zinc/27/26/46/168272646.db2.gz WDDKVEAKUIBZEB-LURJTMIESA-N 1 0 167.208 1.421 10 10 ADCERO CSc1ccc(O)c([C@@H]([NH3+])CO)c1 72197871 168310557 /nfs/dbraw/zinc/31/05/57/168310557.db2.gz XTXQMSMDITWIDH-QMMMGPOBSA-N 1 0 199.275 1.106 10 10 ADCERO CSc1ccc(O)c(C[NH3+])c1 95720096 168310696 /nfs/dbraw/zinc/31/06/96/168310696.db2.gz QNWNAFDJOVSSLX-UHFFFAOYSA-N 1 0 169.249 1.573 10 10 ADCERO CSc1ccc(O)c([C@H]([NH3+])CN)c1 72200539 168310860 /nfs/dbraw/zinc/31/08/60/168310860.db2.gz WQGPZSLJOSJOKV-MRVPVSSYSA-N 1 0 198.291 1.073 10 10 ADCERO CSc1ccc(O)c([C@@H]([NH3+])CN)c1 72200540 168311274 /nfs/dbraw/zinc/31/12/74/168311274.db2.gz WQGPZSLJOSJOKV-QMMMGPOBSA-N 1 0 198.291 1.073 10 10 ADCERO CSc1ccc(O)c([C@H]([NH3+])CO)c1 72197870 168311346 /nfs/dbraw/zinc/31/13/46/168311346.db2.gz XTXQMSMDITWIDH-MRVPVSSYSA-N 1 0 199.275 1.106 10 10 ADCERO CSc1cccc([C@H]([NH3+])CN)c1O 72200537 168311937 /nfs/dbraw/zinc/31/19/37/168311937.db2.gz WDOOQEHCMHAQOI-SSDOTTSWSA-N 1 0 198.291 1.073 10 10 ADCERO CSc1cccc([C@H]([NH3+])CO)c1O 72197868 168312323 /nfs/dbraw/zinc/31/23/23/168312323.db2.gz LRNQSLUKACQKRN-SSDOTTSWSA-N 1 0 199.275 1.106 10 10 ADCERO CSc1cccc(C[NH3+])c1O 95722641 168312714 /nfs/dbraw/zinc/31/27/14/168312714.db2.gz XMVVQPDGCGWYDP-UHFFFAOYSA-N 1 0 169.249 1.573 10 10 ADCERO CSc1cccc([C@@H]([NH3+])CO)c1O 72197869 168312798 /nfs/dbraw/zinc/31/27/98/168312798.db2.gz LRNQSLUKACQKRN-ZETCQYMHSA-N 1 0 199.275 1.106 10 10 ADCERO CSc1cccc(O)c1C[NH3+] 95721166 168313010 /nfs/dbraw/zinc/31/30/10/168313010.db2.gz XJXIOJZOJMSSCF-UHFFFAOYSA-N 1 0 169.249 1.573 10 10 ADCERO CSc1cccc([C@@H]([NH3+])CN)c1O 72200538 168313209 /nfs/dbraw/zinc/31/32/09/168313209.db2.gz WDOOQEHCMHAQOI-ZETCQYMHSA-N 1 0 198.291 1.073 10 10 ADCERO C[C@@H](CC[NH3+])Sc1nccs1 40677172 168339761 /nfs/dbraw/zinc/33/97/61/168339761.db2.gz ONHJEZODKFGMAO-LURJTMIESA-N 1 0 188.321 1.973 10 10 ADCERO C[C@@H](C[NH3+])CSc1nccs1 40677160 168342689 /nfs/dbraw/zinc/34/26/89/168342689.db2.gz YELXJABCBWISPZ-LURJTMIESA-N 1 0 188.321 1.830 10 10 ADCERO C[C@@H](C[NH3+])Sc1nccs1 43514747 168345715 /nfs/dbraw/zinc/34/57/15/168345715.db2.gz QNNFKKIBJMWNHR-YFKPBYRVSA-N 1 0 174.294 1.582 10 10 ADCERO C[C@@H](C[NH3+])c1ccc(O)c(O)c1 29561199 168345947 /nfs/dbraw/zinc/34/59/47/168345947.db2.gz IDLSQOHXWOVTGJ-LURJTMIESA-N 1 0 167.208 1.160 10 10 ADCERO C[C@@H](CNc1ccc(N)cc1)[NH+](C)C 45105839 168348348 /nfs/dbraw/zinc/34/83/48/168348348.db2.gz USHBCFAEGKHPSC-VIFPVBQESA-N 1 0 193.294 1.631 10 10 ADCERO C[C@@H](CO)Nc1ccc(N)cc1 35600397 168353265 /nfs/dbraw/zinc/35/32/65/168353265.db2.gz GUPCYSRHCPSXJP-ZETCQYMHSA-N 1 0 166.224 1.062 10 10 ADCERO C[C@@H](Cc1ccc(N)cc1)[NH+](C)C 26725933 168353897 /nfs/dbraw/zinc/35/38/97/168353897.db2.gz CZPNGAFMPHTMTI-VIFPVBQESA-N 1 0 178.279 1.761 10 10 ADCERO C[C@@H](Cc1ccc(O)c(O)c1)[NH+](C)C 163869522 168354114 /nfs/dbraw/zinc/35/41/14/168354114.db2.gz IGATVIFAMZLMSA-QMMMGPOBSA-N 1 0 195.262 1.590 10 10 ADCERO C[C@@H]([NH3+])/C=C/c1ccc(O)c(O)c1 83591215 168356198 /nfs/dbraw/zinc/35/61/98/168356198.db2.gz PJPADANVRHANQF-TYWZFMJISA-N 1 0 179.219 1.458 10 10 ADCERO C[C@@H]([NH3+])Cc1ccc(N)cc1 26378814 168364060 /nfs/dbraw/zinc/36/40/60/168364060.db2.gz UXAZIFYAGDKABZ-SSDOTTSWSA-N 1 0 150.225 1.159 10 10 ADCERO C[C@@H]([NH3+])c1ccc2c(c1)CCN2C 11730083 168369882 /nfs/dbraw/zinc/36/98/82/168369882.db2.gz AEXFAFVQZHNRKM-MRVPVSSYSA-N 1 0 176.263 1.699 10 10 ADCERO C[C@@H]([NH3+])c1ccc(N(C)C)cc1F 75845026 168369916 /nfs/dbraw/zinc/36/99/16/168369916.db2.gz AGUNSZSJXBHPTA-SSDOTTSWSA-N 1 0 182.242 1.911 10 10 ADCERO C[C@@H]([NH3+])c1cc2c3c(c1)CCN3CC2 11730107 168369974 /nfs/dbraw/zinc/36/99/74/168369974.db2.gz XLYBCSRENPCPHE-MRVPVSSYSA-N 1 0 188.274 1.625 10 10 ADCERO C[C@@H]([NH3+])c1ccc(N(C)C)c(F)c1 19872732 168370169 /nfs/dbraw/zinc/37/01/69/168370169.db2.gz KIJNDCUOIOUWGZ-SSDOTTSWSA-N 1 0 182.242 1.911 10 10 ADCERO C[C@@H]([NH3+])c1ccc2[nH]ccc2c1O 82868975 168370369 /nfs/dbraw/zinc/37/03/69/168370369.db2.gz TZZWIJDCHSLZIV-ZCFIWIBFSA-N 1 0 176.219 1.893 10 10 ADCERO C[C@@H]([NH3+])c1ccc(N(C)CCO)cc1 37899409 168370731 /nfs/dbraw/zinc/37/07/31/168370731.db2.gz VLLQELCHNHIHQL-SECBINFHSA-N 1 0 194.278 1.135 10 10 ADCERO C[C@@H]([NH3+])c1ccc(O)cc1O 21954922 168370740 /nfs/dbraw/zinc/37/07/40/168370740.db2.gz LZCUUHPBCGKQAH-RXMQYKEDSA-N 1 0 153.181 1.118 10 10 ADCERO C[C@@H]([NH3+])c1cccc(O)c1O 38881983 168372944 /nfs/dbraw/zinc/37/29/44/168372944.db2.gz ZJUJGYBNARNPJZ-RXMQYKEDSA-N 1 0 153.181 1.118 10 10 ADCERO C[C@@H]([NH2+]C1CC1)c1cc(O)ccc1O 21961236 168379074 /nfs/dbraw/zinc/37/90/74/168379074.db2.gz DEFYFDXLSWJMDD-SSDOTTSWSA-N 1 0 193.246 1.911 10 10 ADCERO C[C@@H]([NH2+]C1CC1)c1ccc(O)cc1O 22149301 168379568 /nfs/dbraw/zinc/37/95/68/168379568.db2.gz GJUXEXSXDOKFSU-SSDOTTSWSA-N 1 0 193.246 1.911 10 10 ADCERO C[C@@H](O)CNc1ccc(N)cc1 33606960 168396507 /nfs/dbraw/zinc/39/65/07/168396507.db2.gz XYAQUYKPDDPZHG-SSDOTTSWSA-N 1 0 166.224 1.062 10 10 ADCERO C[C@@H](O)[C@@H]([NH3+])c1ccc(N(C)C)cc1 41206840 168396927 /nfs/dbraw/zinc/39/69/27/168396927.db2.gz FETDJDVRCQKPFT-LDYMZIIASA-N 1 0 194.278 1.133 10 10 ADCERO C[C@@H](O)[C@H]([NH3+])c1ccc(N(C)C)cc1 41206838 168398428 /nfs/dbraw/zinc/39/84/28/168398428.db2.gz FETDJDVRCQKPFT-KCJUWKMLSA-N 1 0 194.278 1.133 10 10 ADCERO C[C@@H]1CC[NH2+][C@H]1c1ccc(O)c(O)c1 82892576 168435421 /nfs/dbraw/zinc/43/54/21/168435421.db2.gz KDAZDPGVOAIHTM-RDDDGLTNSA-N 1 0 193.246 1.768 10 10 ADCERO C[C@@H]1C[C@@H]1[NH2+]CCc1ccc(N)cc1 52294218 168470112 /nfs/dbraw/zinc/47/01/12/168470112.db2.gz ZQSCNRSXBKWTBA-SKDRFNHKSA-N 1 0 190.290 1.809 10 10 ADCERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(O)c(O)c1 52269978 168470523 /nfs/dbraw/zinc/47/05/23/168470523.db2.gz YEXNWPOZMSETPF-APPZFPTMSA-N 1 0 193.246 1.596 10 10 ADCERO C[C@@]1([NH3+])CCc2cc(O)c(O)cc2C1 6067344 168500408 /nfs/dbraw/zinc/50/04/08/168500408.db2.gz SCGLDRJDTNNLIA-LLVKDONJSA-N 1 0 193.246 1.304 10 10 ADCERO C[C@H](Cc1ccc(O)c(O)c1)[NH+](C)C 163869620 168539131 /nfs/dbraw/zinc/53/91/31/168539131.db2.gz IGATVIFAMZLMSA-MRVPVSSYSA-N 1 0 195.262 1.590 10 10 ADCERO C[C@H]([NH3+])c1cc2c3c(c1)CCN3CC2 11730108 168554689 /nfs/dbraw/zinc/55/46/89/168554689.db2.gz XLYBCSRENPCPHE-QMMMGPOBSA-N 1 0 188.274 1.625 10 10 ADCERO C[C@H]1C[C@@H](c2ccc(O)c(O)c2)C[NH2+]1 82892605 168653716 /nfs/dbraw/zinc/65/37/16/168653716.db2.gz KAAJSHDDAUFGPE-IONNQARKSA-N 1 0 193.246 1.563 10 10 ADCERO C[C@H]1C[C@@H]1[NH2+]Cc1cccc(O)c1O 52275163 168655397 /nfs/dbraw/zinc/65/53/97/168655397.db2.gz YTKFHQVGWXMFDL-CBAPKCEASA-N 1 0 193.246 1.596 10 10 ADCERO Cc1c[nH]c2ccc(C[NH3+])c(O)c12 82868977 168720430 /nfs/dbraw/zinc/72/04/30/168720430.db2.gz ZSQBSZUFIYSBMN-UHFFFAOYSA-N 1 0 176.219 1.641 10 10 ADCERO Cc1cc(C)c2c(c1O)[C@@H]([NH3+])CC2 26162463 168742837 /nfs/dbraw/zinc/74/28/37/168742837.db2.gz JEWKHFBKGQBOIF-VIFPVBQESA-N 1 0 177.247 1.955 10 10 ADCERO Cc1cc(N)c(O)c([C@@H]2CCC[NH2+]2)c1 72201641 168763706 /nfs/dbraw/zinc/76/37/06/168763706.db2.gz ATWDLRYULAUXNT-JTQLQIEISA-N 1 0 192.262 1.707 10 10 ADCERO Cc1cc(N)c(C)c(C[NH3+])c1O 29217306 168764759 /nfs/dbraw/zinc/76/47/59/168764759.db2.gz IWQPRQJZFRXLOW-UHFFFAOYSA-N 1 0 166.224 1.050 10 10 ADCERO Cc1cc(O)c([C@H]([NH3+])CCO)cc1C 82907419 168773921 /nfs/dbraw/zinc/77/39/21/168773921.db2.gz RYAWRWQYMNJECT-SNVBAGLBSA-N 1 0 195.262 1.391 10 10 ADCERO Cc1cc2cc(O)c(C[NH3+])cc2o1 82869422 168787831 /nfs/dbraw/zinc/78/78/31/168787831.db2.gz VISSYIXMMFSKFE-UHFFFAOYSA-N 1 0 177.203 1.906 10 10 ADCERO Cc1ccc(C)c([C@H]([NH3+])CCO)c1O 82907439 168806152 /nfs/dbraw/zinc/80/61/52/168806152.db2.gz SKJZOQFVJSLTNO-SECBINFHSA-N 1 0 195.262 1.391 10 10 ADCERO Cc1ccc(C[NH2+]C2CC2)c(O)c1 83340314 168813391 /nfs/dbraw/zinc/81/33/91/168813391.db2.gz MNJDVNLGYAHILA-UHFFFAOYSA-N 1 0 177.247 1.953 10 10 ADCERO Cc1ccc([C@@H]([NH3+])CO)c(O)c1C 72197451 168834482 /nfs/dbraw/zinc/83/44/82/168834482.db2.gz MMHDHXSMJNTVTJ-VIFPVBQESA-N 1 0 181.235 1.001 10 10 ADCERO Cn1c(=[N+]=N)sc2ccccc21 39118953 169031106 /nfs/dbraw/zinc/03/11/06/169031106.db2.gz NIIKWKFWSHTZSS-UHFFFAOYSA-N 1 0 177.232 1.370 10 10 ADCERO Cn1cc2c3c(cccc31)CC[NH2+]C2 82392078 169042835 /nfs/dbraw/zinc/04/28/35/169042835.db2.gz UXQMZUNDXKDAMN-UHFFFAOYSA-N 1 0 186.258 1.824 10 10 ADCERO Cn1ccc2c(CC[NH3+])nccc21 75565583 169046238 /nfs/dbraw/zinc/04/62/38/169046238.db2.gz ZAQYWASNCDFIDH-UHFFFAOYSA-N 1 0 175.235 1.075 10 10 ADCERO Cn1ccc2c(CC[NH3+])cccc21 70634806 169046297 /nfs/dbraw/zinc/04/62/97/169046297.db2.gz YFGPFCKWPUDHRL-UHFFFAOYSA-N 1 0 174.247 1.680 10 10 ADCERO Cn1ccc2ccc(O)c(C[NH3+])c21 76601437 169048270 /nfs/dbraw/zinc/04/82/70/169048270.db2.gz OEVHWAWUZHIJIL-UHFFFAOYSA-N 1 0 176.219 1.343 10 10 ADCERO Cn1ccc2ccc(CC[NH3+])cc21 82399311 169048283 /nfs/dbraw/zinc/04/82/83/169048283.db2.gz DOZZBMFQPOGSQC-UHFFFAOYSA-N 1 0 174.247 1.680 10 10 ADCERO Cn1cc[nH+]c1Nc1ccc(N)cc1 50605515 169054486 /nfs/dbraw/zinc/05/44/86/169054486.db2.gz JVVHHVKBYCFUNY-UHFFFAOYSA-N 1 0 188.234 1.746 10 10 ADCERO NC(=[NH2+])CCSc1nccs1 40676960 169135891 /nfs/dbraw/zinc/13/58/91/169135891.db2.gz QEDWGWKSHUIPMH-UHFFFAOYSA-N 1 0 187.293 1.561 10 10 ADCERO NC(=[NH2+])CSc1nccs1 40676957 169136106 /nfs/dbraw/zinc/13/61/06/169136106.db2.gz NHZLEOVDDFJHEX-UHFFFAOYSA-N 1 0 173.266 1.171 10 10 ADCERO N=[N+]=CC(=O)Cc1ccccc1 96297828 169144761 /nfs/dbraw/zinc/14/47/61/169144761.db2.gz ASYKOJLVUNAANS-UHFFFAOYSA-N 1 0 161.184 1.108 10 10 ADCERO N=[N+]=c1c(=O)c2cccc3cccc1c32 96299933 169144800 /nfs/dbraw/zinc/14/48/00/169144800.db2.gz WTSFKACDPYGPOE-UHFFFAOYSA-N 1 0 195.201 1.369 10 10 ADCERO [NH3+]C/C=C/c1ccc(O)c(O)c1 83339783 169168892 /nfs/dbraw/zinc/16/88/92/169168892.db2.gz JEQQGLLTHHAKNM-OWOJBTEDSA-N 1 0 165.192 1.070 10 10 ADCERO [NH3+]CCCCSc1nccs1 40677156 169182796 /nfs/dbraw/zinc/18/27/96/169182796.db2.gz NDRPMYKUUZXQSG-UHFFFAOYSA-N 1 0 188.321 1.974 10 10 ADCERO [NH3+]CCCCc1ccc(O)c(O)c1 35994483 169182867 /nfs/dbraw/zinc/18/28/67/169182867.db2.gz HYUZDHUWLUSNER-UHFFFAOYSA-N 1 0 181.235 1.379 10 10 ADCERO [NH3+]CCSc1nccs1 39134732 169193024 /nfs/dbraw/zinc/19/30/24/169193024.db2.gz ZWDHFPMWMBMBKV-UHFFFAOYSA-N 1 0 160.267 1.194 10 10 ADCERO [NH3+]CCc1ccc(O)c(O)c1Cl 6091739 169198186 /nfs/dbraw/zinc/19/81/86/169198186.db2.gz QJFLNNIHWWVCFG-UHFFFAOYSA-N 1 0 187.626 1.252 10 10 ADCERO NC[C@@H]([NH3+])c1c(O)cccc1Cl 72200281 169203111 /nfs/dbraw/zinc/20/31/11/169203111.db2.gz LQCHPHLZSYPKMO-ZCFIWIBFSA-N 1 0 186.642 1.004 10 10 ADCERO NC[C@@H]([NH3+])c1cc(Cl)ccc1O 72200279 169203163 /nfs/dbraw/zinc/20/31/63/169203163.db2.gz USJGRMOOSULNMB-SSDOTTSWSA-N 1 0 186.642 1.004 10 10 ADCERO NC[C@@H]([NH3+])c1ccc(Cl)cc1O 72200283 169203548 /nfs/dbraw/zinc/20/35/48/169203548.db2.gz LDWXVTDBRMXOIC-SSDOTTSWSA-N 1 0 186.642 1.004 10 10 ADCERO [NH3+]C[C@@H]1CCCc2cc(O)c(O)cc21 28772294 169207601 /nfs/dbraw/zinc/20/76/01/169207601.db2.gz IWNZLZJKPLGDKQ-QMMMGPOBSA-N 1 0 193.246 1.476 10 10 ADCERO [NH3+]C[C@@H]1CCCc2c1ccc(O)c2O 29210514 169207748 /nfs/dbraw/zinc/20/77/48/169207748.db2.gz VPOYXJCSYGIZMX-ZETCQYMHSA-N 1 0 193.246 1.476 10 10 ADCERO [NH3+]C[C@@H]1CCc2cc(O)c(O)cc21 29204832 169209237 /nfs/dbraw/zinc/20/92/37/169209237.db2.gz FCMNXOWRHIGEBP-ZETCQYMHSA-N 1 0 179.219 1.086 10 10 ADCERO [NH3+]C[C@@H]1CCc2c1ccc(O)c2O 29204804 169209608 /nfs/dbraw/zinc/20/96/08/169209608.db2.gz MSELERFZQGXIMH-LURJTMIESA-N 1 0 179.219 1.086 10 10 ADCERO NC[C@H]([NH3+])c1cc(Cl)ccc1O 72200280 169212904 /nfs/dbraw/zinc/21/29/04/169212904.db2.gz USJGRMOOSULNMB-ZETCQYMHSA-N 1 0 186.642 1.004 10 10 ADCERO NC[C@H]([NH3+])c1c(O)cccc1Cl 72200282 169213277 /nfs/dbraw/zinc/21/32/77/169213277.db2.gz LQCHPHLZSYPKMO-LURJTMIESA-N 1 0 186.642 1.004 10 10 ADCERO NC[C@H]([NH3+])c1ccc(Cl)cc1O 72200284 169213448 /nfs/dbraw/zinc/21/34/48/169213448.db2.gz LDWXVTDBRMXOIC-ZETCQYMHSA-N 1 0 186.642 1.004 10 10 ADCERO [NH3+]C[C@H]1CCCc2c1ccc(O)c2O 29210519 169216249 /nfs/dbraw/zinc/21/62/49/169216249.db2.gz VPOYXJCSYGIZMX-SSDOTTSWSA-N 1 0 193.246 1.476 10 10 ADCERO [NH3+]C[C@H]1CCCc2cc(O)c(O)cc21 28772297 169216476 /nfs/dbraw/zinc/21/64/76/169216476.db2.gz IWNZLZJKPLGDKQ-MRVPVSSYSA-N 1 0 193.246 1.476 10 10 ADCERO [NH3+]Cc1c(O)cccc1C(F)(F)F 95721123 169218305 /nfs/dbraw/zinc/21/83/05/169218305.db2.gz ZRASDLZKTSGWKK-UHFFFAOYSA-N 1 0 191.152 1.870 10 10 ADCERO [NH3+]Cc1c(O)ccc2[nH]ccc12 96862243 169218465 /nfs/dbraw/zinc/21/84/65/169218465.db2.gz BSKYUYLSDKWOJZ-UHFFFAOYSA-N 1 0 162.192 1.332 10 10 ADCERO [NH3+]Cc1c2[nH]cccc-2ccc1=O 27653262 169218583 /nfs/dbraw/zinc/21/85/83/169218583.db2.gz OAIBTWOQGSOQDA-UHFFFAOYSA-N 1 0 174.203 1.399 10 10 ADCERO [NH3+]Cc1cc(CC2CC2)ccc1O 95721934 169219249 /nfs/dbraw/zinc/21/92/49/169219249.db2.gz XSVUBFDQQUEKTK-UHFFFAOYSA-N 1 0 177.247 1.803 10 10 ADCERO [NH3+]Cc1c(O)cccc1OCC1CC1 95721207 169219366 /nfs/dbraw/zinc/21/93/66/169219366.db2.gz YNWSXBMUNADLTQ-UHFFFAOYSA-N 1 0 193.246 1.640 10 10 ADCERO [NH3+]Cc1cc(OCC2CC2)ccc1O 95722674 169220202 /nfs/dbraw/zinc/22/02/02/169220202.db2.gz AXMBRQYMMFFAGV-UHFFFAOYSA-N 1 0 193.246 1.640 10 10 ADCERO [NH3+]Cc1cc(O)c2ccccc2c1O 83341431 169220436 /nfs/dbraw/zinc/22/04/36/169220436.db2.gz IGHNAALCBLYMJY-UHFFFAOYSA-N 1 0 189.214 1.710 10 10 ADCERO [NH3+]Cc1ccc(C(F)(F)F)cc1O 71445496 169222120 /nfs/dbraw/zinc/22/21/20/169222120.db2.gz LKTNJIBUJITYBH-UHFFFAOYSA-N 1 0 191.152 1.870 10 10 ADCERO [NH3+]Cc1ccc(Cl)cc1O 62787170 169222488 /nfs/dbraw/zinc/22/24/88/169222488.db2.gz QJFODQGSLFISIH-UHFFFAOYSA-N 1 0 157.600 1.504 10 10 in-vitro ADCERO [NH3+]Cc1ccc(CC2CC2)cc1O 95719505 169222527 /nfs/dbraw/zinc/22/25/27/169222527.db2.gz BAKRFHADCNSAFJ-UHFFFAOYSA-N 1 0 177.247 1.803 10 10 ADCERO [NH3+]Cc1ccc2[nH]ccc2c1O 82850450 169223104 /nfs/dbraw/zinc/22/31/04/169223104.db2.gz CJOMALZRBRPTEX-UHFFFAOYSA-N 1 0 162.192 1.332 10 10 ADCERO [NH3+]Cc1ccc(OCC2CC2)cc1O 95720742 169223163 /nfs/dbraw/zinc/22/31/63/169223163.db2.gz GRTIWIMVTIJMKB-UHFFFAOYSA-N 1 0 193.246 1.640 10 10 ADCERO [NH3+]Cc1ccc(N2CCCC2)c(F)c1 11757275 169223766 /nfs/dbraw/zinc/22/37/66/169223766.db2.gz XFCXPRPILBVTCI-UHFFFAOYSA-N 1 0 194.253 1.885 10 10 ADCERO [NH3+]Cc1cccc(OCC2CC2)c1O 95723785 169224490 /nfs/dbraw/zinc/22/44/90/169224490.db2.gz WCDMTEKJIIMSDS-UHFFFAOYSA-N 1 0 193.246 1.640 10 10 ADCERO [NH3+][C@@H](CO)c1ccc(Cl)cc1O 72197605 169245386 /nfs/dbraw/zinc/24/53/86/169245386.db2.gz QLBUOZUNODNMQL-ZETCQYMHSA-N 1 0 187.626 1.038 10 10 ADCERO [NH3+][C@@H](CO)c1c(O)cccc1Cl 72197603 169245462 /nfs/dbraw/zinc/24/54/62/169245462.db2.gz FHGLTDXAHVYWPL-LURJTMIESA-N 1 0 187.626 1.038 10 10 ADCERO [NH3+][C@@H](CO)c1cc(Cl)ccc1O 72197601 169245876 /nfs/dbraw/zinc/24/58/76/169245876.db2.gz KXSKYLCQWOEVGA-ZETCQYMHSA-N 1 0 187.626 1.038 10 10 ADCERO [NH3+][C@@H]1CCCc2c(ccc(O)c2O)C1 28001758 169253627 /nfs/dbraw/zinc/25/36/27/169253627.db2.gz ILEURPSSUKBLIM-MRVPVSSYSA-N 1 0 193.246 1.304 10 10 ADCERO [NH3+][C@@H]1CCc2c(cc(O)c(O)c2F)C1 29388667 169255161 /nfs/dbraw/zinc/25/51/61/169255161.db2.gz OSVFEAMITKLJDN-ZCFIWIBFSA-N 1 0 197.209 1.053 10 10 ADCERO [NH3+][C@@H]1CCc2c(Cl)ccc(O)c21 27656663 169255479 /nfs/dbraw/zinc/25/54/79/169255479.db2.gz NASWFPRMJNSUSS-SSDOTTSWSA-N 1 0 183.638 1.992 10 10 ADCERO [NH3+][C@@H]1CCc2cc(O)c(O)c(F)c2C1 29346316 169255832 /nfs/dbraw/zinc/25/58/32/169255832.db2.gz DTGQQBGSYWRGOX-ZCFIWIBFSA-N 1 0 197.209 1.053 10 10 ADCERO [NH3+][C@@H]1C[C@@H]2C[C@H]1c1cc(O)c(O)cc12 6091491 169257945 /nfs/dbraw/zinc/25/79/45/169257945.db2.gz QPAZOFORCJMYGG-WLGLDCGKSA-N 1 0 191.230 1.400 10 10 ADCERO [NH3+][C@H](CO)c1c(O)cccc1Cl 72197602 169266163 /nfs/dbraw/zinc/26/61/63/169266163.db2.gz FHGLTDXAHVYWPL-ZCFIWIBFSA-N 1 0 187.626 1.038 10 10 ADCERO [NH3+][C@H](CO)c1ccc(Cl)cc1O 72197604 169266560 /nfs/dbraw/zinc/26/65/60/169266560.db2.gz QLBUOZUNODNMQL-SSDOTTSWSA-N 1 0 187.626 1.038 10 10 ADCERO [NH3+][C@H](CO)c1cc(Cl)ccc1O 72197600 169267273 /nfs/dbraw/zinc/26/72/73/169267273.db2.gz KXSKYLCQWOEVGA-SSDOTTSWSA-N 1 0 187.626 1.038 10 10 ADCERO [NH3+][C@H]1CCCc2c(ccc(O)c2O)C1 28001762 169273258 /nfs/dbraw/zinc/27/32/58/169273258.db2.gz ILEURPSSUKBLIM-QMMMGPOBSA-N 1 0 193.246 1.304 10 10 ADCERO [NH3+][C@H]1CCc2c(Cl)ccc(O)c21 27656665 169275501 /nfs/dbraw/zinc/27/55/01/169275501.db2.gz NASWFPRMJNSUSS-ZETCQYMHSA-N 1 0 183.638 1.992 10 10 ADCERO [NH3+][C@H]1CCc2c(cc(O)c(O)c2F)C1 29388670 169276016 /nfs/dbraw/zinc/27/60/16/169276016.db2.gz OSVFEAMITKLJDN-LURJTMIESA-N 1 0 197.209 1.053 10 10 ADCERO [NH3+][C@H]1CCc2cc(O)c(O)c(F)c2C1 29346319 169276034 /nfs/dbraw/zinc/27/60/34/169276034.db2.gz DTGQQBGSYWRGOX-LURJTMIESA-N 1 0 197.209 1.053 10 10 ADCERO [NH3+][C@H]1C[C@H]2C[C@@H]1c1c2ccc(O)c1O 27185053 169279033 /nfs/dbraw/zinc/27/90/33/169279033.db2.gz HMWASRAMRZXLCY-DTLFHODZSA-N 1 0 191.230 1.400 10 10 ADCERO Nc1cc(F)c(O)c([C@H]2CCC[NH2+]2)c1 72201722 169286066 /nfs/dbraw/zinc/28/60/66/169286066.db2.gz CHHLASSXCOGPSZ-SECBINFHSA-N 1 0 196.225 1.538 10 10 ADCERO Nc1cc(F)cc([C@@H]2CCC[NH2+]2)c1O 72201723 169286134 /nfs/dbraw/zinc/28/61/34/169286134.db2.gz NOVKFAFUCUSUEM-VIFPVBQESA-N 1 0 196.225 1.538 10 10 ADCERO Nc1cc(F)cc([C@H]2CCC[NH2+]2)c1O 72201724 169286495 /nfs/dbraw/zinc/28/64/95/169286495.db2.gz NOVKFAFUCUSUEM-SECBINFHSA-N 1 0 196.225 1.538 10 10 ADCERO Nc1cc(F)c(O)c([C@@H]2CCC[NH2+]2)c1 72201721 169286623 /nfs/dbraw/zinc/28/66/23/169286623.db2.gz CHHLASSXCOGPSZ-VIFPVBQESA-N 1 0 196.225 1.538 10 10 ADCERO Nc1cc([C@H]2CCC[NH2+]2)c(O)cc1F 72201720 169287578 /nfs/dbraw/zinc/28/75/78/169287578.db2.gz CEWUBYLDFZDRLX-SECBINFHSA-N 1 0 196.225 1.538 10 10 ADCERO Nc1cc([C@@H]2CCC[NH2+]2)c(O)cc1F 72201719 169287758 /nfs/dbraw/zinc/28/77/58/169287758.db2.gz CEWUBYLDFZDRLX-VIFPVBQESA-N 1 0 196.225 1.538 10 10 ADCERO Nc1ccc(-n2cc[nH+]c2N)cc1 75843678 169290039 /nfs/dbraw/zinc/29/00/39/169290039.db2.gz DJZWLXGRXKTVGA-UHFFFAOYSA-N 1 0 174.207 1.037 10 10 ADCERO Nc1ccc(C[NH+]2CCC2)cc1 39081728 169290830 /nfs/dbraw/zinc/29/08/30/169290830.db2.gz MQWIENFKSMUTOO-UHFFFAOYSA-N 1 0 162.236 1.475 10 10 ADCERO Nc1ccc(C[C@H]2CCC[NH2+]2)cc1 71494129 169290868 /nfs/dbraw/zinc/29/08/68/169290868.db2.gz AHVVWFJVPZCHNA-LLVKDONJSA-N 1 0 176.263 1.563 10 10 ADCERO Nc1ccc(CC[C@H]2CCC[NH2+]2)cc1 71494141 169290885 /nfs/dbraw/zinc/29/08/85/169290885.db2.gz IZKXGSIGWOBLHQ-GFCCVEGCSA-N 1 0 190.290 1.953 10 10 ADCERO Nc1ccc(CC[NH2+]C2CCC2)cc1 52212275 169290894 /nfs/dbraw/zinc/29/08/94/169290894.db2.gz ODWMCDKTSXAPFS-UHFFFAOYSA-N 1 0 190.290 1.953 10 10 ADCERO Nc1ccc(C[C@@H]2CC[NH2+]C2)cc1 23508858 169291008 /nfs/dbraw/zinc/29/10/08/169291008.db2.gz GSPXJLVWFYCRFI-JTQLQIEISA-N 1 0 176.263 1.421 10 10 ADCERO Nc1ccc(C[NH2+]CC2CC2)cc1 40409446 169291093 /nfs/dbraw/zinc/29/10/93/169291093.db2.gz JHEBBOYHHIEITJ-UHFFFAOYSA-N 1 0 176.263 1.768 10 10 ADCERO Nc1ccc(CC[C@@H]2CCC[NH2+]2)cc1 71494140 169291393 /nfs/dbraw/zinc/29/13/93/169291393.db2.gz IZKXGSIGWOBLHQ-LBPRGKRZSA-N 1 0 190.290 1.953 10 10 ADCERO Nc1ccc(CC[NH2+]C2CC2)cc1 40408381 169291619 /nfs/dbraw/zinc/29/16/19/169291619.db2.gz ALAMCFWXFNIVJF-UHFFFAOYSA-N 1 0 176.263 1.563 10 10 ADCERO Nc1ccc(C[C@@H]2CCC[NH2+]2)cc1 71494128 169291681 /nfs/dbraw/zinc/29/16/81/169291681.db2.gz AHVVWFJVPZCHNA-NSHDSACASA-N 1 0 176.263 1.563 10 10 ADCERO Nc1ccc(C[NH2+]C2CCC2)cc1 52212306 169291818 /nfs/dbraw/zinc/29/18/18/169291818.db2.gz LTUGETIRNBNHPW-UHFFFAOYSA-N 1 0 176.263 1.911 10 10 ADCERO Nc1ccc(O)c(C[NH+]2CCCC2)c1 34129129 169292585 /nfs/dbraw/zinc/29/25/85/169292585.db2.gz WHBAVQJRUINPTH-UHFFFAOYSA-N 1 0 192.262 1.570 10 10 ADCERO Nc1ccccc1NC1CC[NH2+]CC1 33607226 169298485 /nfs/dbraw/zinc/29/84/85/169298485.db2.gz FRPNIZFUGKDSSS-UHFFFAOYSA-N 1 0 191.278 1.433 10 10 ADCERO [NH3+]C[C@H]1CCc2c1ccc(O)c2O 29204808 169217065 /nfs/dbraw/zinc/21/70/65/169217065.db2.gz MSELERFZQGXIMH-ZCFIWIBFSA-N 1 0 179.219 1.086 10 10 ADCERO [NH3+]C[C@H]1CCc2cc(O)c(O)cc21 29204837 169217757 /nfs/dbraw/zinc/21/77/57/169217757.db2.gz FCMNXOWRHIGEBP-SSDOTTSWSA-N 1 0 179.219 1.086 10 10 ADCERO OCc1ccc(O)c([C@H]2CCC[NH2+]2)c1 72201647 169438235 /nfs/dbraw/zinc/43/82/35/169438235.db2.gz YKNQGURREIULTQ-SNVBAGLBSA-N 1 0 193.246 1.309 10 10 ADCERO Oc1ccccc1C[NH2+]CC1CC1 19884743 169460008 /nfs/dbraw/zinc/46/00/08/169460008.db2.gz XGXVBONEYPBEEO-UHFFFAOYSA-N 1 0 177.247 1.892 10 10 ADCERO S=C1C=C[C@H]2[NH2+]CCC2=C1 89209675 169461808 /nfs/dbraw/zinc/46/18/08/169461808.db2.gz DTCCEXWNRXDNAC-MRVPVSSYSA-N 1 0 151.234 1.214 10 10 ADCERO CC(C)N[N+](=O)C(C)C 1717781 171001625 /nfs/dbraw/zinc/00/16/25/171001625.db2.gz GWSLPKWCBFSXCD-FPLPWBNLSA-N 1 0 130.191 1.766 10 10 ADCERO CCCN[N+](=O)CCC 5819434 171017858 /nfs/dbraw/zinc/01/78/58/171017858.db2.gz NOLAXNLVEYHWHM-FPLPWBNLSA-N 1 0 130.191 1.769 10 10 ADCERO Oc1ccc(C2=CC[NH2+]CC2)cc1O 13511258 171027187 /nfs/dbraw/zinc/02/71/87/171027187.db2.gz AKKRSTJTLDPQNP-UHFFFAOYSA-N 1 0 191.230 1.475 10 10 ADCERO Oc1ccc(C[NH2+]C2CC2)cc1O 21962211 171041106 /nfs/dbraw/zinc/04/11/06/171041106.db2.gz ZZOZGLRCYHTTJN-UHFFFAOYSA-N 1 0 179.219 1.350 10 10 ADCERO Oc1ccc(C[NH2+]C2CC2)c(O)c1 21963249 171041273 /nfs/dbraw/zinc/04/12/73/171041273.db2.gz OUUXRCUBNJLXTI-UHFFFAOYSA-N 1 0 179.219 1.350 10 10 ADCERO Nc1ccc(C[C@H]2CC[NH2+]C2)cc1 23508861 171042490 /nfs/dbraw/zinc/04/24/90/171042490.db2.gz GSPXJLVWFYCRFI-SNVBAGLBSA-N 1 0 176.263 1.421 10 10 ADCERO Oc1ccc(C2CC[NH2+]CC2)cc1O 26936857 171045581 /nfs/dbraw/zinc/04/55/81/171045581.db2.gz WTVAFIJPKJHBBC-UHFFFAOYSA-N 1 0 193.246 1.565 10 10 ADCERO [NH3+]Cc1ccc2cnccc2c1O 27652601 171047089 /nfs/dbraw/zinc/04/70/89/171047089.db2.gz CPEOIFZTUCEOBX-UHFFFAOYSA-N 1 0 174.203 1.399 10 10 ADCERO Nc1ccc(C[n+]2ccccc2)cc1 31974059 171049395 /nfs/dbraw/zinc/04/93/95/171049395.db2.gz PMBNGHMNOVXHGH-UHFFFAOYSA-N 1 0 185.250 1.605 10 10 ADCERO Nc1ccc(Cc2ncc[nH]2)cc1 38865350 171070485 /nfs/dbraw/zinc/07/04/85/171070485.db2.gz BDDWDZQKHIRQPM-UHFFFAOYSA-N 1 0 173.219 1.583 10 10 ADCERO COc1ccc(O)c(C[NH+](C)C)c1 39246843 171077592 /nfs/dbraw/zinc/07/75/92/171077592.db2.gz DALDKLLZFGAGLB-UHFFFAOYSA-N 1 0 181.235 1.462 10 10 ADCERO Oc1ccc(C[NH2+]C2CCC2)cc1O 52206940 171097438 /nfs/dbraw/zinc/09/74/38/171097438.db2.gz NBMDMTPYSMSSTQ-UHFFFAOYSA-N 1 0 193.246 1.740 10 10 ADCERO Oc1ccc(C[NH2+]C2CCC2)c(O)c1 52207332 171097457 /nfs/dbraw/zinc/09/74/57/171097457.db2.gz DRAIIRWBEULDKY-UHFFFAOYSA-N 1 0 193.246 1.740 10 10 ADCERO Oc1cccc(C[NH2+]C2CCC2)c1O 52208772 171097699 /nfs/dbraw/zinc/09/76/99/171097699.db2.gz FQUOWLOGEIQEIW-UHFFFAOYSA-N 1 0 193.246 1.740 10 10 ADCERO Oc1ccc(C[C@H]2CCC[NH2+]2)cc1O 71482757 171107488 /nfs/dbraw/zinc/10/74/88/171107488.db2.gz WJZFNJWSFVVCNO-SECBINFHSA-N 1 0 193.246 1.392 10 10 ADCERO Oc1ccc(C[C@@H]2CCC[NH2+]2)cc1O 71482755 171107536 /nfs/dbraw/zinc/10/75/36/171107536.db2.gz WJZFNJWSFVVCNO-VIFPVBQESA-N 1 0 193.246 1.392 10 10 ADCERO CC(C)c1cccc([C@H]([NH3+])CO)c1O 72197759 171108955 /nfs/dbraw/zinc/10/89/55/171108955.db2.gz HFHUJDKFSPZZGJ-SNVBAGLBSA-N 1 0 195.262 1.508 10 10 ADCERO Nc1ccc(F)c([C@@H]2CCC[NH2+]2)c1O 72201725 171108973 /nfs/dbraw/zinc/10/89/73/171108973.db2.gz VNWVEDHDYXFXBE-QMMMGPOBSA-N 1 0 196.225 1.538 10 10 ADCERO CC(C)c1cccc([C@H]([NH3+])CN)c1O 72200427 171109027 /nfs/dbraw/zinc/10/90/27/171109027.db2.gz QCLPTQGWISOVEZ-SNVBAGLBSA-N 1 0 194.278 1.474 10 10 ADCERO Oc1cccc(O)c1[C@H]1CCC[NH2+]1 72201509 171109084 /nfs/dbraw/zinc/10/90/84/171109084.db2.gz NNNRSRBHMRNTCV-SSDOTTSWSA-N 1 0 179.219 1.522 10 10 ADCERO CC(C)c1cccc([C@@H]([NH3+])CN)c1O 72200428 171109337 /nfs/dbraw/zinc/10/93/37/171109337.db2.gz QCLPTQGWISOVEZ-JTQLQIEISA-N 1 0 194.278 1.474 10 10 ADCERO Nc1ccc(F)c([C@H]2CCC[NH2+]2)c1O 72201726 171109379 /nfs/dbraw/zinc/10/93/79/171109379.db2.gz VNWVEDHDYXFXBE-MRVPVSSYSA-N 1 0 196.225 1.538 10 10 ADCERO CC(C)c1cccc([C@@H]([NH3+])CO)c1O 72197760 171109422 /nfs/dbraw/zinc/10/94/22/171109422.db2.gz HFHUJDKFSPZZGJ-JTQLQIEISA-N 1 0 195.262 1.508 10 10 ADCERO Oc1cccc(O)c1[C@@H]1CCC[NH2+]1 72201508 171109467 /nfs/dbraw/zinc/10/94/67/171109467.db2.gz NNNRSRBHMRNTCV-ZETCQYMHSA-N 1 0 179.219 1.522 10 10 ADCERO Oc1ccc(F)cc1[C@H]1CCC[NH2+]1 72201540 171109490 /nfs/dbraw/zinc/10/94/90/171109490.db2.gz PIHKPXDJNMQHGB-SECBINFHSA-N 1 0 181.210 1.956 10 10 ADCERO Oc1ccc(C[NH2+]C2CC2)c(O)c1O 83342227 171130802 /nfs/dbraw/zinc/13/08/02/171130802.db2.gz AKVMNBFETITVJM-UHFFFAOYSA-N 1 0 195.218 1.055 10 10 ADCERO Oc1ccc(O)c(C[NH2+]C2CC2)c1 83340377 171130889 /nfs/dbraw/zinc/13/08/89/171130889.db2.gz MEZKWMYIJUQGJK-UHFFFAOYSA-N 1 0 179.219 1.350 10 10 ADCERO [NH3+]C1(c2ccc3[nH]ccc3c2O)CC1 89204420 171133867 /nfs/dbraw/zinc/13/38/67/171133867.db2.gz DOHSZPNDZREMSC-UHFFFAOYSA-N 1 0 188.230 1.821 10 10 ADCERO CC(C)c1cccc(O)c1C[NH3+] 95723226 171137240 /nfs/dbraw/zinc/13/72/40/171137240.db2.gz ZFGHTWYILRJVIH-UHFFFAOYSA-N 1 0 165.236 1.974 10 10 ADCERO CC(C)c1cccc(C[NH3+])c1O 95720795 171137297 /nfs/dbraw/zinc/13/72/97/171137297.db2.gz PLTVBPVLEMNSSO-UHFFFAOYSA-N 1 0 165.236 1.974 10 10 ADCERO Oc1ccc(CC[NH2+]C2CC2)cc1O 145338640 171139579 /nfs/dbraw/zinc/13/95/79/171139579.db2.gz GGLXORVPGANCEH-UHFFFAOYSA-N 1 0 193.246 1.392 10 10 ADCERO Oc1cccc(C[NH2+]CC2CC2)c1O 41049381 171145437 /nfs/dbraw/zinc/14/54/37/171145437.db2.gz VJBIZJCKVDAESW-UHFFFAOYSA-N 1 0 193.246 1.597 10 10 ADCERO CN(C)c1ccc(C(C)(C)[NH3+])cc1 82870745 171176473 /nfs/dbraw/zinc/17/64/73/171176473.db2.gz AAHODVLRIQLLFH-UHFFFAOYSA-N 1 0 178.279 1.946 10 10 ADCERO [NH3+]C1(c2cc(F)ccc2O)CCC1 82873610 171176590 /nfs/dbraw/zinc/17/65/90/171176590.db2.gz WMBLKHGZIUCXEG-UHFFFAOYSA-N 1 0 181.210 1.869 10 10 ADCERO [NH3+]C1(c2ccc(O)c(O)c2)CCC1 82871288 171176617 /nfs/dbraw/zinc/17/66/17/171176617.db2.gz UGAWBPHFZIBOLV-UHFFFAOYSA-N 1 0 179.219 1.436 10 10 ADCERO [NH3+]C1(c2ccccc2O)CCC1 82850715 171176702 /nfs/dbraw/zinc/17/67/02/171176702.db2.gz XZSYKGIGWWGYBT-UHFFFAOYSA-N 1 0 163.220 1.730 10 10 ADCERO Oc1ccc(F)cc1[C@H]1COCC[NH2+]1 82909977 171176936 /nfs/dbraw/zinc/17/69/36/171176936.db2.gz NOXMAJPFTBGZJO-SECBINFHSA-N 1 0 197.209 1.192 10 10 ADCERO Oc1ccc(F)cc1[C@@H]1COCC[NH2+]1 82909976 171176956 /nfs/dbraw/zinc/17/69/56/171176956.db2.gz NOXMAJPFTBGZJO-VIFPVBQESA-N 1 0 197.209 1.192 10 10 ADCERO CC(=O)C([N+]#N)c1ccccc1 62715948 171197772 /nfs/dbraw/zinc/19/77/72/171197772.db2.gz OVITUNQNVWGKPS-UHFFFAOYSA-N 1 0 160.176 1.295 10 10 ADCERO C[N@@H+]1CCc2c(ccc(O)c2O)C1 1999226 171221206 /nfs/dbraw/zinc/22/12/06/171221206.db2.gz OJWVUZYUSCZEDC-UHFFFAOYSA-N 1 0 179.219 1.086 10 10 ADCERO C[N+]1(C)CCc2cc(O)c(O)cc21 13459431 171222194 /nfs/dbraw/zinc/22/21/94/171222194.db2.gz MATBESKGIQZMDI-UHFFFAOYSA-O 1 0 180.227 1.221 10 10 ADCERO N#[N+]CC(=O)Cc1cccs1 90366726 171223923 /nfs/dbraw/zinc/22/39/23/171223923.db2.gz GJPSWWHXNIPCEJ-UHFFFAOYSA-N 1 0 166.205 1.160 10 10 ADCERO Oc1ccc(C2=CCC[NH2+]C2)cc1O 33885192 171226537 /nfs/dbraw/zinc/22/65/37/171226537.db2.gz RRFSQNACACZZLZ-UHFFFAOYSA-N 1 0 191.230 1.475 10 10 ADCERO CN(C)c1ccc(C[NH3+])c(F)c1F 234273132 344716350 /nfs/dbraw/zinc/71/63/50/344716350.db2.gz HAJJIMIJQPOLMJ-UHFFFAOYSA-N 1 0 186.205 1.490 10 10 ADCERO Cc1cccc([C@H]([NH3+])CF)c1O 238546776 344812158 /nfs/dbraw/zinc/81/21/58/344812158.db2.gz QUEZFVVPHHNKBA-MRVPVSSYSA-N 1 0 169.199 1.670 10 10 ADCERO Cc1cccc([C@@H]([NH3+])CF)c1O 238543094 344812160 /nfs/dbraw/zinc/81/21/60/344812160.db2.gz QUEZFVVPHHNKBA-QMMMGPOBSA-N 1 0 169.199 1.670 10 10 ADCERO Oc1cccc([C@@H]2CCC[NH2+]2)c1O 238682193 344818614 /nfs/dbraw/zinc/81/86/14/344818614.db2.gz PBMLOOHVYDGHPK-QMMMGPOBSA-N 1 0 179.219 1.522 10 10 ADCERO Oc1cc(O)c([C@H]2CCC[NH2+]2)c(O)c1 238719604 344821734 /nfs/dbraw/zinc/82/17/34/344821734.db2.gz OPYPJLMPVHGNLG-SSDOTTSWSA-N 1 0 195.218 1.228 10 10 ADCERO [NH3+][C@H](CF)c1cccc(O)c1O 238685522 344819015 /nfs/dbraw/zinc/81/90/15/344819015.db2.gz PCZQQTLGAXKNOJ-ZCFIWIBFSA-N 1 0 171.171 1.067 10 10 ADCERO [NH3+][C@H](CF)c1cccc(F)c1[O-] 238685456 344819071 /nfs/dbraw/zinc/81/90/71/344819071.db2.gz TZTHGAGZFZGCRT-SSDOTTSWSA-N 1 0 173.162 1.501 10 10 ADCERO CCn1ccnc1C1=CCC[NH2+]C1 306230189 345123629 /nfs/dbraw/zinc/12/36/29/345123629.db2.gz JFRLLPVLYDEJGZ-UHFFFAOYSA-N 1 0 177.251 1.280 10 10 ADCERO Nc1c(F)ccc([C@H]2CC[NH2+]2)c1O 306592570 345469899 /nfs/dbraw/zinc/46/98/99/345469899.db2.gz ZRYPIQAFZAUHDR-SSDOTTSWSA-N 1 0 182.198 1.148 10 10 ADCERO Cc1cccc(C[NH+](C)C)c1O 6071716 343012753 /nfs/dbraw/zinc/01/27/53/343012753.db2.gz ADODSZXYDVUXTG-UHFFFAOYSA-N 1 0 165.236 1.762 10 10 ADCERO C[C@H]([NH3+])c1ccc2c(c1)CCN2C 11730084 343024040 /nfs/dbraw/zinc/02/40/40/343024040.db2.gz AEXFAFVQZHNRKM-QMMMGPOBSA-N 1 0 176.263 1.699 10 10 ADCERO CN(CC[NH+](C)C)c1ccc(N)cc1 19730733 343059559 /nfs/dbraw/zinc/05/95/59/343059559.db2.gz BXIJUQJYXZCOFB-UHFFFAOYSA-N 1 0 193.294 1.267 10 10 ADCERO C[C@H]([NH3+])c1ccc(O)cc1O 21954926 343076427 /nfs/dbraw/zinc/07/64/27/343076427.db2.gz LZCUUHPBCGKQAH-YFKPBYRVSA-N 1 0 153.181 1.118 10 10 ADCERO C[C@H]([NH2+]C1CC1)c1ccc(O)cc1O 22149305 343079671 /nfs/dbraw/zinc/07/96/71/343079671.db2.gz GJUXEXSXDOKFSU-ZETCQYMHSA-N 1 0 193.246 1.911 10 10 ADCERO Cc1ccc(O)c([C@@H](C)[NH3+])c1 24863141 343086506 /nfs/dbraw/zinc/08/65/06/343086506.db2.gz WZNMCVYFCNZJBV-SSDOTTSWSA-N 1 0 151.209 1.720 10 10 ADCERO Cc1ccc(O)c([C@H](C)[NH3+])c1 24863145 343086542 /nfs/dbraw/zinc/08/65/42/343086542.db2.gz WZNMCVYFCNZJBV-ZETCQYMHSA-N 1 0 151.209 1.720 10 10 ADCERO C[C@H]([NH3+])Cc1ccc(N)cc1 26378817 343087768 /nfs/dbraw/zinc/08/77/68/343087768.db2.gz UXAZIFYAGDKABZ-ZETCQYMHSA-N 1 0 150.225 1.159 10 10 ADCERO Cc1cc(C)c(O)c(C[NH3+])c1C 29221025 343092375 /nfs/dbraw/zinc/09/23/75/343092375.db2.gz VJBHVPYEICGNIE-UHFFFAOYSA-N 1 0 165.236 1.776 10 10 ADCERO Cc1c(Cl)ccc(O)c1C[NH3+] 29216841 343092515 /nfs/dbraw/zinc/09/25/15/343092515.db2.gz JJECOKCEKSPIRK-UHFFFAOYSA-N 1 0 171.627 1.813 10 10 ADCERO Cc1cccc([C@@H](C)[NH3+])c1O 34349795 343117067 /nfs/dbraw/zinc/11/70/67/343117067.db2.gz ASHASMPKPHWKEJ-SSDOTTSWSA-N 1 0 151.209 1.720 10 10 ADCERO CN(c1ccc(C[NH3+])cc1)C1CC1 37080357 343158253 /nfs/dbraw/zinc/15/82/53/343158253.db2.gz IJQSUDSEVGCQLZ-UHFFFAOYSA-N 1 0 176.263 1.744 10 10 ADCERO C[N@H+](Cc1cc(N)ccc1O)C1CC1 37273182 343165538 /nfs/dbraw/zinc/16/55/38/343165538.db2.gz TYQXJLBHGLBMOG-UHFFFAOYSA-N 1 0 192.262 1.569 10 10 ADCERO C[C@H]([NH3+])c1cccc(O)c1O 38881981 343191484 /nfs/dbraw/zinc/19/14/84/343191484.db2.gz ZJUJGYBNARNPJZ-YFKPBYRVSA-N 1 0 153.181 1.118 10 10 ADCERO Cc1ccc(O)c(C[NH+](C)C)c1 39988300 343214969 /nfs/dbraw/zinc/21/49/69/343214969.db2.gz HYVZRUQCAHFECM-UHFFFAOYSA-N 1 0 165.236 1.762 10 10 ADCERO CC(C)[NH2+]Cc1cccc(O)c1O 41049374 343227250 /nfs/dbraw/zinc/22/72/50/343227250.db2.gz KLPZWIADNVISTE-UHFFFAOYSA-N 1 0 181.235 1.596 10 10 ADCERO C[N@@H+]1CC[C@H](Nc2ccccc2N)C1 42545140 343245483 /nfs/dbraw/zinc/24/54/83/343245483.db2.gz CIVXAZAOVVPWJH-VIFPVBQESA-N 1 0 191.278 1.385 10 10 ADCERO C[N@@H+]1CC[C@@H](Nc2ccc(N)cc2)C1 42544896 343245540 /nfs/dbraw/zinc/24/55/40/343245540.db2.gz IYFLNYTVZQBDHK-LLVKDONJSA-N 1 0 191.278 1.385 10 10 ADCERO C[N@@H+]1CC[C@@H](Nc2ccccc2N)C1 42545142 343245547 /nfs/dbraw/zinc/24/55/47/343245547.db2.gz CIVXAZAOVVPWJH-SECBINFHSA-N 1 0 191.278 1.385 10 10 ADCERO C[N@@H+]1CC[C@H](Nc2ccc(N)cc2)C1 42544895 343245767 /nfs/dbraw/zinc/24/57/67/343245767.db2.gz IYFLNYTVZQBDHK-NSHDSACASA-N 1 0 191.278 1.385 10 10 ADCERO C[C@H](C[NH3+])Sc1nccs1 43514748 343253130 /nfs/dbraw/zinc/25/31/30/343253130.db2.gz QNNFKKIBJMWNHR-RXMQYKEDSA-N 1 0 174.294 1.582 10 10 ADCERO Cc1cccc([C@@H]([NH3+])CCO)c1O 44233874 343262646 /nfs/dbraw/zinc/26/26/46/343262646.db2.gz BPNSDNLAYHQURX-VIFPVBQESA-N 1 0 181.235 1.083 10 10 ADCERO Cc1ccc(O)c([C@H]([NH3+])CCO)c1 44234136 343262773 /nfs/dbraw/zinc/26/27/73/343262773.db2.gz NKMOFMVSAZXLKV-SECBINFHSA-N 1 0 181.235 1.083 10 10 ADCERO Cc1cccc([C@H]([NH3+])CCO)c1O 44233871 343262791 /nfs/dbraw/zinc/26/27/91/343262791.db2.gz BPNSDNLAYHQURX-SECBINFHSA-N 1 0 181.235 1.083 10 10 ADCERO Cc1ccc([C@H]([NH3+])CCO)c(O)c1 44234189 343262831 /nfs/dbraw/zinc/26/28/31/343262831.db2.gz MBCMJHMGCCCCKH-SECBINFHSA-N 1 0 181.235 1.083 10 10 ADCERO Cc1ccc(O)c([C@@H]([NH3+])CCO)c1 44234140 343262862 /nfs/dbraw/zinc/26/28/62/343262862.db2.gz NKMOFMVSAZXLKV-VIFPVBQESA-N 1 0 181.235 1.083 10 10 ADCERO Cc1cc(F)cc([C@H]([NH3+])CCO)c1O 44236077 343262897 /nfs/dbraw/zinc/26/28/97/343262897.db2.gz YIHQSAYSLSWYHM-SECBINFHSA-N 1 0 199.225 1.222 10 10 ADCERO Cc1cc(F)cc([C@@H]([NH3+])CCO)c1O 44236081 343262915 /nfs/dbraw/zinc/26/29/15/343262915.db2.gz YIHQSAYSLSWYHM-VIFPVBQESA-N 1 0 199.225 1.222 10 10 ADCERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(O)c(O)c1 52269985 343302991 /nfs/dbraw/zinc/30/29/91/343302991.db2.gz YEXNWPOZMSETPF-IONNQARKSA-N 1 0 193.246 1.596 10 10 ADCERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(O)c(O)c1 52269980 343303145 /nfs/dbraw/zinc/30/31/45/343303145.db2.gz YEXNWPOZMSETPF-CBAPKCEASA-N 1 0 193.246 1.596 10 10 ADCERO C[C@H]1C[C@@H]1[NH2+]Cc1ccccc1O 52270155 343303327 /nfs/dbraw/zinc/30/33/27/343303327.db2.gz ZVJGETUPDZHEDF-WPRPVWTQSA-N 1 0 177.247 1.890 10 10 ADCERO C[C@H]1C[C@H]1[NH2+]Cc1ccccc1O 52270162 343303493 /nfs/dbraw/zinc/30/34/93/343303493.db2.gz ZVJGETUPDZHEDF-WCBMZHEXSA-N 1 0 177.247 1.890 10 10 ADCERO C[C@H]1C[C@H]1[NH2+]Cc1cccc(O)c1O 52275167 343303799 /nfs/dbraw/zinc/30/37/99/343303799.db2.gz YTKFHQVGWXMFDL-IONNQARKSA-N 1 0 193.246 1.596 10 10 ADCERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(N)cc1 52294312 343305205 /nfs/dbraw/zinc/30/52/05/343305205.db2.gz VPPVMWYLKYDDGJ-KWQFWETISA-N 1 0 176.263 1.767 10 10 ADCERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(N)cc1 52294317 343305291 /nfs/dbraw/zinc/30/52/91/343305291.db2.gz VPPVMWYLKYDDGJ-GZMMTYOYSA-N 1 0 176.263 1.767 10 10 ADCERO c1csc(SC2C[NH2+]C2)n1 54931812 343331417 /nfs/dbraw/zinc/33/14/17/343331417.db2.gz JSAWBKHKBNJKIU-UHFFFAOYSA-N 1 0 172.278 1.207 10 10 ADCERO CCC[C@H]([NH3+])c1ccc(O)c(O)c1 59957680 343349167 /nfs/dbraw/zinc/34/91/67/343349167.db2.gz LWJTWAZKBUCNGN-QMMMGPOBSA-N 1 0 181.235 1.898 10 10 ADCERO CCC[C@@H]([NH3+])c1ccc(O)c(O)c1 59957685 343349187 /nfs/dbraw/zinc/34/91/87/343349187.db2.gz LWJTWAZKBUCNGN-MRVPVSSYSA-N 1 0 181.235 1.898 10 10 ADCERO CC[C@H]([NH3+])c1ccc(O)c(O)c1 59957687 343349256 /nfs/dbraw/zinc/34/92/56/343349256.db2.gz YKEUZYBXTNURKV-ZETCQYMHSA-N 1 0 167.208 1.508 10 10 ADCERO C[C@H]([NH3+])CCc1ccc(O)c(O)c1 59957716 343349263 /nfs/dbraw/zinc/34/92/63/343349263.db2.gz BKSXKHLJABSJGW-ZETCQYMHSA-N 1 0 181.235 1.378 10 10 ADCERO CC[C@@H]([NH3+])c1ccc(O)c(O)c1 59957696 343349280 /nfs/dbraw/zinc/34/92/80/343349280.db2.gz YKEUZYBXTNURKV-SSDOTTSWSA-N 1 0 167.208 1.508 10 10 ADCERO CN(C)c1ccc(C[NH3+])cc1Cl 62792829 343380190 /nfs/dbraw/zinc/38/01/90/343380190.db2.gz HKZCWJBDLAVYNF-UHFFFAOYSA-N 1 0 184.670 1.865 10 10 ADCERO CC[C@@H]([NH3+])c1cc(OC)ccc1O 71455048 343552830 /nfs/dbraw/zinc/55/28/30/343552830.db2.gz NBBHZBBXSIIXGL-SECBINFHSA-N 1 0 181.235 1.811 10 10 ADCERO CC[C@@H]([NH3+])c1c(O)cc(O)cc1O 71452056 343552852 /nfs/dbraw/zinc/55/28/52/343552852.db2.gz KKVRSRPNXFPLFF-ZCFIWIBFSA-N 1 0 183.207 1.213 10 10 ADCERO CC[C@H]([NH3+])c1c(O)cc(O)cc1O 71452055 343552912 /nfs/dbraw/zinc/55/29/12/343552912.db2.gz KKVRSRPNXFPLFF-LURJTMIESA-N 1 0 183.207 1.213 10 10 ADCERO CC[C@@H]([NH3+])c1ccc(O)cc1O 71451974 343552987 /nfs/dbraw/zinc/55/29/87/343552987.db2.gz TTYGMYYRVPGRKW-MRVPVSSYSA-N 1 0 167.208 1.508 10 10 ADCERO CC[C@H]([NH3+])c1ccc(O)c(O)c1O 71452010 343553006 /nfs/dbraw/zinc/55/30/06/343553006.db2.gz GDOTYBGVLHJORD-LURJTMIESA-N 1 0 183.207 1.213 10 10 ADCERO CC[C@H]([NH3+])c1ccc(O)cc1O 71451973 343553027 /nfs/dbraw/zinc/55/30/27/343553027.db2.gz TTYGMYYRVPGRKW-QMMMGPOBSA-N 1 0 167.208 1.508 10 10 ADCERO CC[C@H]([NH3+])c1cc(OC)ccc1O 71455047 343553099 /nfs/dbraw/zinc/55/30/99/343553099.db2.gz NBBHZBBXSIIXGL-VIFPVBQESA-N 1 0 181.235 1.811 10 10 ADCERO C[C@H]([NH3+])c1ccc2[nH]ccc2c1O 82868974 343614494 /nfs/dbraw/zinc/61/44/94/343614494.db2.gz TZZWIJDCHSLZIV-LURJTMIESA-N 1 0 176.219 1.893 10 10 ADCERO CC[C@H](C)[NH2+]Cc1cc(O)ccc1O 83342284 343618719 /nfs/dbraw/zinc/61/87/19/343618719.db2.gz BGDMJTPIDNOWNL-QMMMGPOBSA-N 1 0 195.262 1.986 10 10 ADCERO CC1C[NH+](Cc2ccc(N)cc2)C1 86687968 343654003 /nfs/dbraw/zinc/65/40/03/343654003.db2.gz GILOYSDXLUYOQF-UHFFFAOYSA-N 1 0 176.263 1.721 10 10 ADCERO CC[C@@H]([NH3+])c1ccc(OC)cc1O 95659624 343685440 /nfs/dbraw/zinc/68/54/40/343685440.db2.gz PYJBWYISTFKUKU-SECBINFHSA-N 1 0 181.235 1.811 10 10 ADCERO Nc1ccc(N2C[C@H]3C[C@H]3C2)cc1 107124946 343742471 /nfs/dbraw/zinc/74/24/71/343742471.db2.gz DCCKIEWDIIHBRY-DTORHVGOSA-N 1 0 174.247 1.725 10 10 ADCERO COc1ccc(CC(=O)C[N+]#N)cc1 114089876 343761306 /nfs/dbraw/zinc/76/13/06/343761306.db2.gz QIXHCANBTINSEK-UHFFFAOYSA-N 1 0 190.202 1.107 10 10 ADCERO N#[N+]CC(=O)OC1CCCCC1 115343069 343766701 /nfs/dbraw/zinc/76/67/01/343766701.db2.gz ZBHVRTGDBRNTAE-UHFFFAOYSA-N 1 0 168.196 1.163 10 10 ADCERO C[C@H](C[NH+](C)C)Nc1ccc(N)cc1 116321856 343769122 /nfs/dbraw/zinc/76/91/22/343769122.db2.gz PITJZCFQWFIZDJ-SECBINFHSA-N 1 0 193.294 1.631 10 10 ADCERO C[C@@H](C[NH+](C)C)Nc1ccc(N)cc1 116321854 343769130 /nfs/dbraw/zinc/76/91/30/343769130.db2.gz PITJZCFQWFIZDJ-VIFPVBQESA-N 1 0 193.294 1.631 10 10 ADCERO CC[NH+](CC)C1=CCC([N+]#N)C=C1 118270538 343774886 /nfs/dbraw/zinc/77/48/86/343774886.db2.gz YZYFPMLAGIGAJJ-UHFFFAOYSA-N 1 0 177.251 1.843 10 10 ADCERO N=[N+]=CC(=O)c1ccccc1 138144040 343988231 /nfs/dbraw/zinc/98/82/31/343988231.db2.gz SQWRBQSSMDXFQB-UHFFFAOYSA-N 1 0 147.157 1.179 10 10 ADCERO [NH3+]Cc1ccc(N2CCC2)cc1 139979142 343997361 /nfs/dbraw/zinc/99/73/61/343997361.db2.gz XRCPFMHPZSTIDK-UHFFFAOYSA-N 1 0 162.236 1.355 10 10 ADCERO CN(C)c1ccc2c(c1)C[NH2+]C2 144897766 344030464 /nfs/dbraw/zinc/03/04/64/344030464.db2.gz HFWZIPSAJZMNML-UHFFFAOYSA-N 1 0 162.236 1.356 10 10 ADCERO COc1cc(C[NH3+])ccc1N(C)C 163540061 344224742 /nfs/dbraw/zinc/22/47/42/344224742.db2.gz WMUPAXQAZQASDN-UHFFFAOYSA-N 1 0 180.251 1.220 10 10 ADCERO CN(c1ccc(C[NH3+])c(F)c1)C1CC1 168967956 344341503 /nfs/dbraw/zinc/34/15/03/344341503.db2.gz RCFBIDYODFQXLH-UHFFFAOYSA-N 1 0 194.253 1.883 10 10 ADCERO CCN(C)c1ccc(C[NH3+])c(F)c1 168967749 344341695 /nfs/dbraw/zinc/34/16/95/344341695.db2.gz LDPLDJDYEIGLOJ-UHFFFAOYSA-N 1 0 182.242 1.741 10 10 ADCERO CN(C)c1ccc2c(c1)C[NH2+]CCO2 169792868 344352211 /nfs/dbraw/zinc/35/22/11/344352211.db2.gz IQMPIVUPPKLGPC-UHFFFAOYSA-N 1 0 192.262 1.235 10 10 ADCERO N#[N+]Cc1ccccc1Cl 196273577 344356379 /nfs/dbraw/zinc/35/63/79/344356379.db2.gz PZRPRMOKEBFHMW-UHFFFAOYSA-N 1 0 152.584 1.989 10 10 ADCERO Nc1ccc(N2CC3(CCO3)C2)cc1 220968947 344436787 /nfs/dbraw/zinc/43/67/87/344436787.db2.gz YODUCUMGCYDKCM-UHFFFAOYSA-N 1 0 190.246 1.248 10 10 ADCERO C[NH2+][C@H](C)c1c(O)cccc1O 221208630 344439438 /nfs/dbraw/zinc/43/94/38/344439438.db2.gz BMRLFBXZNOJTGU-ZCFIWIBFSA-N 1 0 167.208 1.378 10 10 ADCERO C[NH2+][C@@H](C)c1c(O)cccc1O 221208577 344439563 /nfs/dbraw/zinc/43/95/63/344439563.db2.gz BMRLFBXZNOJTGU-LURJTMIESA-N 1 0 167.208 1.378 10 10 ADCERO C[NH2+]Cc1c(O)cccc1OC 221208504 344439772 /nfs/dbraw/zinc/43/97/72/344439772.db2.gz VMCRCSKFSHGQLM-UHFFFAOYSA-N 1 0 167.208 1.120 10 10 ADCERO CCNC(=[NH2+])c1ccc(O)c(O)c1 233492773 344702574 /nfs/dbraw/zinc/70/25/74/344702574.db2.gz DWSPUKGNYFOHPM-UHFFFAOYSA-N 1 0 180.207 1.033 10 10 ADCERO C[NH2+]Cc1ccc(N2CC(C)C2)cc1 234423606 344720261 /nfs/dbraw/zinc/72/02/61/344720261.db2.gz PAEKJPQGOQILLC-UHFFFAOYSA-N 1 0 190.290 1.862 10 10 ADCERO C[C@H](c1c(O)cccc1O)[NH+](C)C 235148891 344734445 /nfs/dbraw/zinc/73/44/45/344734445.db2.gz GRNVNXJFJVEKBD-SSDOTTSWSA-N 1 0 181.235 1.720 10 10 ADCERO C[C@@H](c1c(O)cccc1O)[NH+](C)C 235494219 344751765 /nfs/dbraw/zinc/75/17/65/344751765.db2.gz GRNVNXJFJVEKBD-ZETCQYMHSA-N 1 0 181.235 1.720 10 10 ADCERO COc1cccc([C@@H]([NH3+])CF)c1O 238389224 344804621 /nfs/dbraw/zinc/80/46/21/344804621.db2.gz VJBIJTGOCIVMTA-ZETCQYMHSA-N 1 0 185.198 1.370 10 10 ADCERO COc1cccc([C@H]([NH3+])CF)c1O 238393553 344805106 /nfs/dbraw/zinc/80/51/06/344805106.db2.gz VJBIJTGOCIVMTA-SSDOTTSWSA-N 1 0 185.198 1.370 10 10 ADCERO COc1cccc([C@@H]2CCC[NH2+]2)c1O 238404303 344805669 /nfs/dbraw/zinc/80/56/69/344805669.db2.gz KFDYQIWYVJNJQI-VIFPVBQESA-N 1 0 193.246 1.825 10 10 ADCERO Cc1ccc(F)c([C@H]([NH3+])CF)c1O 238492468 344809409 /nfs/dbraw/zinc/80/94/09/344809409.db2.gz QIWKWOJRAKISNQ-SSDOTTSWSA-N 1 0 187.189 1.809 10 10 ADCERO Cc1ccc(F)c([C@@H]([NH3+])CF)c1O 238491855 344809522 /nfs/dbraw/zinc/80/95/22/344809522.db2.gz QIWKWOJRAKISNQ-ZETCQYMHSA-N 1 0 187.189 1.809 10 10 ADCERO Cc1cc(F)cc([C@H]([NH3+])CF)c1O 238529318 344811070 /nfs/dbraw/zinc/81/10/70/344811070.db2.gz GWSJSEZZJQBJFO-MRVPVSSYSA-N 1 0 187.189 1.809 10 10 ADCERO Cc1cc(F)cc([C@@H]([NH3+])CF)c1O 238528992 344811261 /nfs/dbraw/zinc/81/12/61/344811261.db2.gz GWSJSEZZJQBJFO-QMMMGPOBSA-N 1 0 187.189 1.809 10 10 ADCERO [NH3+][C@@H](CF)c1cccc(O)c1O 238575104 344813838 /nfs/dbraw/zinc/81/38/38/344813838.db2.gz PCZQQTLGAXKNOJ-LURJTMIESA-N 1 0 171.171 1.067 10 10 ADCERO Oc1cc(O)c([C@@H]2CCC[NH2+]2)c(O)c1 238719490 344821669 /nfs/dbraw/zinc/82/16/69/344821669.db2.gz OPYPJLMPVHGNLG-ZETCQYMHSA-N 1 0 195.218 1.228 10 10 ADCERO Oc1ccc(O)c([C@H]2CCC[NH2+]2)c1 238728191 344822350 /nfs/dbraw/zinc/82/23/50/344822350.db2.gz WXNTXIVUHNSXSK-SECBINFHSA-N 1 0 179.219 1.522 10 10 ADCERO Oc1ccc([C@H]2CCC[NH2+]2)c(O)c1O 238729386 344822393 /nfs/dbraw/zinc/82/23/93/344822393.db2.gz MEMAKAUPESDJMN-SSDOTTSWSA-N 1 0 195.218 1.228 10 10 ADCERO Oc1ccc([C@@H]2CCC[NH2+]2)c(O)c1O 238728708 344822493 /nfs/dbraw/zinc/82/24/93/344822493.db2.gz MEMAKAUPESDJMN-ZETCQYMHSA-N 1 0 195.218 1.228 10 10 ADCERO Oc1ccc(O)c([C@@H]2CCC[NH2+]2)c1 238728156 344822548 /nfs/dbraw/zinc/82/25/48/344822548.db2.gz WXNTXIVUHNSXSK-VIFPVBQESA-N 1 0 179.219 1.522 10 10 ADCERO Oc1ccc(C[NH+]2CCC2)c(O)c1 306193317 345083555 /nfs/dbraw/zinc/08/35/55/345083555.db2.gz SOIFHKBUZQJMPL-UHFFFAOYSA-N 1 0 179.219 1.304 10 10 ADCERO Cc1ccc(N)c(O)c1[C@H]1CCC[NH2+]1 306209512 345099401 /nfs/dbraw/zinc/09/94/01/345099401.db2.gz SVGWUULFCPHVCY-SECBINFHSA-N 1 0 192.262 1.707 10 10 ADCERO [NH3+]CC/C=C1/CCn2ccnc21 306218837 345111489 /nfs/dbraw/zinc/11/14/89/345111489.db2.gz SGIWHOSWVWCZPD-WAPJZHGLSA-N 1 0 163.224 1.019 10 10 ADCERO Cc1cccc(C[NH+]2CCC2)c1O 306230159 345123849 /nfs/dbraw/zinc/12/38/49/345123849.db2.gz JCXBHAOJVKRSTQ-UHFFFAOYSA-N 1 0 177.247 1.906 10 10 ADCERO C[C@@H]([NH3+])c1ccc(N2CCC2)cc1 306233540 345127051 /nfs/dbraw/zinc/12/70/51/345127051.db2.gz DMAUNMCLADTKLC-SECBINFHSA-N 1 0 176.263 1.916 10 10 ADCERO Nc1c(F)ccc([C@H]2CCC[NH2+]2)c1O 306309962 345189229 /nfs/dbraw/zinc/18/92/29/345189229.db2.gz LXLRSIBPSKGXNH-MRVPVSSYSA-N 1 0 196.225 1.538 10 10 ADCERO Nc1c(F)ccc([C@@H]2CCC[NH2+]2)c1O 306309963 345189615 /nfs/dbraw/zinc/18/96/15/345189615.db2.gz LXLRSIBPSKGXNH-QMMMGPOBSA-N 1 0 196.225 1.538 10 10 ADCERO CC[N@H+](C)Cc1ccc(O)cc1O 306440526 345301272 /nfs/dbraw/zinc/30/12/72/345301272.db2.gz NVAZAWMRRNXRBL-UHFFFAOYSA-N 1 0 181.235 1.550 10 10 ADCERO [NH3+]Cc1ccc(N2CCC2)cc1F 306440807 345301477 /nfs/dbraw/zinc/30/14/77/345301477.db2.gz QVPCYERTCIOTQV-UHFFFAOYSA-N 1 0 180.226 1.495 10 10 ADCERO C[NH2+]Cc1cc(O)c(O)c(Cl)c1 306491833 345364569 /nfs/dbraw/zinc/36/45/69/345364569.db2.gz MYTGMSVOJSKGNL-UHFFFAOYSA-N 1 0 187.626 1.471 10 10 ADCERO Cc1cc(F)c(O)c([C@@H]2CC[NH2+]2)c1 306562004 345437758 /nfs/dbraw/zinc/43/77/58/345437758.db2.gz TZPXGTRUPIMHHV-VIFPVBQESA-N 1 0 181.210 1.874 10 10 ADCERO CC[C@@H](NC(N)=[NH2+])c1ccccc1O 306582847 345459851 /nfs/dbraw/zinc/45/98/51/345459851.db2.gz PLDGYWPOGKDPMK-MRVPVSSYSA-N 1 0 193.250 1.326 10 10 ADCERO CC[C@H](NC(N)=[NH2+])c1ccccc1O 306582848 345459933 /nfs/dbraw/zinc/45/99/33/345459933.db2.gz PLDGYWPOGKDPMK-QMMMGPOBSA-N 1 0 193.250 1.326 10 10 ADCERO Cc1cc(F)c(O)c([C@H]2CC[NH2+]2)c1 306588973 345465576 /nfs/dbraw/zinc/46/55/76/345465576.db2.gz TZPXGTRUPIMHHV-SECBINFHSA-N 1 0 181.210 1.874 10 10 ADCERO Cc1ccc([C@@H](C)NC(N)=[NH2+])c(O)c1 306617092 345490473 /nfs/dbraw/zinc/49/04/73/345490473.db2.gz QRJZECAJXOWKMR-SSDOTTSWSA-N 1 0 193.250 1.245 10 10 ADCERO Cc1ccc([C@H](C)NC(N)=[NH2+])c(O)c1 306617093 345490720 /nfs/dbraw/zinc/49/07/20/345490720.db2.gz QRJZECAJXOWKMR-ZETCQYMHSA-N 1 0 193.250 1.245 10 10 ADCERO Nc1c(F)ccc([C@@H]2CC[NH2+]2)c1O 306627631 345499260 /nfs/dbraw/zinc/49/92/60/345499260.db2.gz ZRYPIQAFZAUHDR-ZETCQYMHSA-N 1 0 182.198 1.148 10 10 ADCERO CC1C[NH+](Cc2ccccc2O)C1 306638739 345506475 /nfs/dbraw/zinc/50/64/75/345506475.db2.gz GXBUQKMALCKAPX-UHFFFAOYSA-N 1 0 177.247 1.844 10 10 ADCERO Cc1ccc([C@H]([NH3+])CF)c(O)c1F 306654273 345520348 /nfs/dbraw/zinc/52/03/48/345520348.db2.gz JQMJGPDMJZUWSN-SSDOTTSWSA-N 1 0 187.189 1.809 10 10 ADCERO Cc1cc(N2CCC2)ccc1C[NH3+] 306672370 345533757 /nfs/dbraw/zinc/53/37/57/345533757.db2.gz ARWVLFRQUMORBR-UHFFFAOYSA-N 1 0 176.263 1.664 10 10 ADCERO Nc1c(F)ccc([C@H]([NH3+])CF)c1O 306701153 345555995 /nfs/dbraw/zinc/55/59/95/345555995.db2.gz KGELKWQZSKYUOG-ZCFIWIBFSA-N 1 0 188.177 1.083 10 10 ADCERO Oc1ccccc1C[NH+]1CCC1 306762089 345598011 /nfs/dbraw/zinc/59/80/11/345598011.db2.gz SJTZXIYRRKFZRC-UHFFFAOYSA-N 1 0 163.220 1.598 10 10 ADCERO Cc1ccc(F)c([O-])c1[C@@H]([NH3+])CC[NH3+] 306791034 345616678 /nfs/dbraw/zinc/61/66/78/345616678.db2.gz ZPXCZXPNACONJE-QMMMGPOBSA-N 1 0 198.241 1.188 10 10 ADCERO CC1=C(c2nccn2C)C[NH2+]CC1 306793841 345619041 /nfs/dbraw/zinc/61/90/41/345619041.db2.gz RTWRVYREAMDAKR-UHFFFAOYSA-N 1 0 177.251 1.187 10 10 ADCERO Cc1ccc([C@@H]([NH3+])CF)c(O)c1F 306863292 345666515 /nfs/dbraw/zinc/66/65/15/345666515.db2.gz JQMJGPDMJZUWSN-ZETCQYMHSA-N 1 0 187.189 1.809 10 10 ADCERO Cc1ccc(F)c([C@@H]([NH3+])CC[NH3+])c1O 306880528 345676823 /nfs/dbraw/zinc/67/68/23/345676823.db2.gz GBIPHTWMUCJZTG-QMMMGPOBSA-N 1 0 198.241 1.188 10 10 ADCERO Cc1ccc(F)c([C@H]([NH3+])CC[NH3+])c1O 306880527 345676906 /nfs/dbraw/zinc/67/69/06/345676906.db2.gz GBIPHTWMUCJZTG-MRVPVSSYSA-N 1 0 198.241 1.188 10 10 ADCERO c1csc(SCC2C[NH2+]C2)n1 306880227 345677103 /nfs/dbraw/zinc/67/71/03/345677103.db2.gz KMKSFYXWEUGAEM-UHFFFAOYSA-N 1 0 186.305 1.455 10 10 ADCERO C[C@H](NC(N)=[NH2+])c1cc(F)ccc1O 306939768 345709071 /nfs/dbraw/zinc/70/90/71/345709071.db2.gz KQKKJGBYCJUSKT-YFKPBYRVSA-N 1 0 197.213 1.075 10 10 ADCERO Nc1c(F)ccc([C@@H]([NH3+])CF)c1O 306945211 345711093 /nfs/dbraw/zinc/71/10/93/345711093.db2.gz KGELKWQZSKYUOG-LURJTMIESA-N 1 0 188.177 1.083 10 10 ADCERO Cc1ccc(N)c(O)c1[C@H]([NH3+])CF 306955974 345717880 /nfs/dbraw/zinc/71/78/80/345717880.db2.gz QVXNYEKMDLATLS-SSDOTTSWSA-N 1 0 184.214 1.252 10 10 ADCERO Cc1cc(C[NH3+])ccc1N1CCC1 306985590 345734630 /nfs/dbraw/zinc/73/46/30/345734630.db2.gz WPMUCYPPTOGHJF-UHFFFAOYSA-N 1 0 176.263 1.664 10 10 ADCERO Nc1cc(F)cc([C@@H]2CC[NH2+]2)c1O 306989242 345737080 /nfs/dbraw/zinc/73/70/80/345737080.db2.gz RWUJJSQEIUHNFB-QMMMGPOBSA-N 1 0 182.198 1.148 10 10 ADCERO [NH3+]Cc1ccc(N2CCC2)c(F)c1 307023658 345760337 /nfs/dbraw/zinc/76/03/37/345760337.db2.gz VPAPMCUHIHWRQE-UHFFFAOYSA-N 1 0 180.226 1.495 10 10 ADCERO Nc1ccc(O)c(C[NH+]2CCC2)c1 307129650 345826557 /nfs/dbraw/zinc/82/65/57/345826557.db2.gz FBDJFGQVGBVGNF-UHFFFAOYSA-N 1 0 178.235 1.180 10 10 ADCERO C[NH2+]Cc1ccc(N2CCC2)c(C)c1 307145841 345839287 /nfs/dbraw/zinc/83/92/87/345839287.db2.gz JSSZFTBJMLGENX-UHFFFAOYSA-N 1 0 190.290 1.925 10 10 ADCERO Cc1ccc(N)c(O)c1[C@@H]([NH3+])CF 307149235 345842173 /nfs/dbraw/zinc/84/21/73/345842173.db2.gz QVXNYEKMDLATLS-ZETCQYMHSA-N 1 0 184.214 1.252 10 10 ADCERO Nc1cc(F)cc([C@H]2CC[NH2+]2)c1O 307197675 345883181 /nfs/dbraw/zinc/88/31/81/345883181.db2.gz RWUJJSQEIUHNFB-MRVPVSSYSA-N 1 0 182.198 1.148 10 10 ADCERO CCC[C@@H]([NH3+])c1ccc(F)c(N)c1O 307215873 345896976 /nfs/dbraw/zinc/89/69/76/345896976.db2.gz STEUXZDZQKPLDF-MRVPVSSYSA-N 1 0 198.241 1.913 10 10 ADCERO Cc1cc(F)c(O)c([C@H]([NH3+])CF)c1 307225811 345903536 /nfs/dbraw/zinc/90/35/36/345903536.db2.gz DVFQCWYHXHVKIU-MRVPVSSYSA-N 1 0 187.189 1.809 10 10 ADCERO Cc1cc(F)c(O)c([C@@H]([NH3+])CF)c1 307225812 345903540 /nfs/dbraw/zinc/90/35/40/345903540.db2.gz DVFQCWYHXHVKIU-QMMMGPOBSA-N 1 0 187.189 1.809 10 10 ADCERO C[C@@H](NC(N)=[NH2+])c1cc(F)ccc1O 307266040 345935137 /nfs/dbraw/zinc/93/51/37/345935137.db2.gz KQKKJGBYCJUSKT-RXMQYKEDSA-N 1 0 197.213 1.075 10 10 ADCERO Cc1ccc(N)c(O)c1[C@H]1CC[NH2+]1 307338936 345980458 /nfs/dbraw/zinc/98/04/58/345980458.db2.gz HRLMMVDASSHJIJ-MRVPVSSYSA-N 1 0 178.235 1.317 10 10 ADCERO Cc1ccc(N)c(O)c1[C@@H]1CC[NH2+]1 307338938 345980559 /nfs/dbraw/zinc/98/05/59/345980559.db2.gz HRLMMVDASSHJIJ-QMMMGPOBSA-N 1 0 178.235 1.317 10 10 ADCERO Cc1ccc(N)c(O)c1[C@@H]1CCC[NH2+]1 307474847 346062784 /nfs/dbraw/zinc/06/27/84/346062784.db2.gz SVGWUULFCPHVCY-VIFPVBQESA-N 1 0 192.262 1.707 10 10 ADCERO Oc1ccc(F)cc1C[NH+]1CCC1 307541073 346101321 /nfs/dbraw/zinc/10/13/21/346101321.db2.gz RTWFTXTWQUXGAT-UHFFFAOYSA-N 1 0 181.210 1.737 10 10 ADCERO CCOc1ccc(C[NH3+])c(O)c1 307541405 346101386 /nfs/dbraw/zinc/10/13/86/346101386.db2.gz XTBVQQQBGPXXRJ-UHFFFAOYSA-N 1 0 167.208 1.250 10 10 ADCERO CCC[C@H]([NH3+])c1ccc(F)c(N)c1O 307561523 346113433 /nfs/dbraw/zinc/11/34/33/346113433.db2.gz STEUXZDZQKPLDF-QMMMGPOBSA-N 1 0 198.241 1.913 10 10 ADCERO Cn1cccc2c(CC[NH3+])cnc1-2 409443199 346708356 /nfs/dbraw/zinc/70/83/56/346708356.db2.gz IRRPGSPEDVTTKT-UHFFFAOYSA-N 1 0 175.235 1.026 10 10 ADCERO COC(=O)C([N+]#N)c1ccc(C)cc1 584606440 346722538 /nfs/dbraw/zinc/72/25/38/346722538.db2.gz WECPHHKIJBKKHR-UHFFFAOYSA-N 1 0 190.202 1.187 10 10 ADCERO CCC=CC([N+]#N)C(=O)OCC 584610073 346726388 /nfs/dbraw/zinc/72/63/88/346726388.db2.gz OGTLEDQAIJDANE-AATRIKPKSA-N 1 0 168.196 1.187 10 10 ADCERO CC=CC([N+]#N)C(=O)OC(C)C 584610304 346726612 /nfs/dbraw/zinc/72/66/12/346726612.db2.gz ZZANXOIFRLGCTD-SNAWJCMRSA-N 1 0 168.196 1.185 10 10 ADCERO CC1=C[C@H](OC(=O)C[N+]#N)CCC1 584610532 346727201 /nfs/dbraw/zinc/72/72/01/346727201.db2.gz DDPPBOMCKSQFFN-MRVPVSSYSA-N 1 0 180.207 1.329 10 10 ADCERO CC(=O)C([N+]#N)c1cccc(C)c1 584616700 346729954 /nfs/dbraw/zinc/72/99/54/346729954.db2.gz XZASIMULLJCEOO-UHFFFAOYSA-N 1 0 174.203 1.603 10 10 ADCERO N=[N+]=c1cc2ccccccc-2c1 584615810 346729260 /nfs/dbraw/zinc/72/92/60/346729260.db2.gz WJIICYVSMNRXGM-UHFFFAOYSA-N 1 0 168.199 1.922 10 10 ADCERO Cc1ccc(CC(=O)C[N+]#N)cc1 584627907 346733119 /nfs/dbraw/zinc/73/31/19/346733119.db2.gz QERWYMJYFDNMHK-UHFFFAOYSA-N 1 0 174.203 1.407 10 10 ADCERO N#[N+]C(Cl)c1ccccc1 584657362 346743898 /nfs/dbraw/zinc/74/38/98/346743898.db2.gz IXGQBNIBXQCPBP-UHFFFAOYSA-N 1 0 152.584 1.902 10 10 ADCERO [NH3+]CC[C@H]1CNc2ccccc2N1 616679283 347167178 /nfs/dbraw/zinc/16/71/78/347167178.db2.gz DSCBONZIXOZDOV-QMMMGPOBSA-N 1 0 177.251 1.241 10 10 ADCERO [NH3+]CC[C@@H]1CNc2ccccc2N1 616689375 347169015 /nfs/dbraw/zinc/16/90/15/347169015.db2.gz DSCBONZIXOZDOV-MRVPVSSYSA-N 1 0 177.251 1.241 10 10 ADCERO Cc1nccc2cc(O)c(O)cc12 15104604 351378122 /nfs/dbraw/zinc/37/81/22/351378122.db2.gz ZHJMCJIZYGTPMH-UHFFFAOYSA-N 1 0 175.187 1.954 10 10 ADCERO CCOc1cccc(C[NH3+])c1O 22144648 351412261 /nfs/dbraw/zinc/41/22/61/351412261.db2.gz OXMFJXAQARNVFL-UHFFFAOYSA-N 1 0 167.208 1.250 10 10 ADCERO CCOc1cccc([C@@H]2CC[NH2+]2)c1O 39090422 351490451 /nfs/dbraw/zinc/49/04/51/351490451.db2.gz SLPCUYHDWVSKNH-VIFPVBQESA-N 1 0 193.246 1.825 10 10 ADCERO CCOc1cccc([C@H]2CC[NH2+]2)c1O 39090423 351490504 /nfs/dbraw/zinc/49/05/04/351490504.db2.gz SLPCUYHDWVSKNH-SECBINFHSA-N 1 0 193.246 1.825 10 10 ADCERO c1ccc(/N=N/N2CC[NH2+]CC2)cc1 39115403 351493717 /nfs/dbraw/zinc/49/37/17/351493717.db2.gz WOFAPPKBZWDMRX-OUKQBFOZSA-N 1 0 190.250 1.591 10 10 ADCERO Oc1ccc([C@@H]2CC[NH2+]2)cc1O 44257435 351537420 /nfs/dbraw/zinc/53/74/20/351537420.db2.gz SVBPIKHBDCLYRI-ZETCQYMHSA-N 1 0 165.192 1.132 10 10 ADCERO Oc1ccc([C@H]2CC[NH2+]2)cc1O 44257439 351537728 /nfs/dbraw/zinc/53/77/28/351537728.db2.gz SVBPIKHBDCLYRI-SSDOTTSWSA-N 1 0 165.192 1.132 10 10 ADCERO c1csc(S[C@H]2CC[NH2+]C2)n1 51784160 351559080 /nfs/dbraw/zinc/55/90/80/351559080.db2.gz YUWFRABJSMQZEC-LURJTMIESA-N 1 0 186.305 1.597 10 10 ADCERO c1csc(S[C@@H]2CC[NH2+]C2)n1 51784158 351559159 /nfs/dbraw/zinc/55/91/59/351559159.db2.gz YUWFRABJSMQZEC-ZCFIWIBFSA-N 1 0 186.305 1.597 10 10 ADCERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(O)cc1O 52271462 351564708 /nfs/dbraw/zinc/56/47/08/351564708.db2.gz MLZJUBBKSAROSP-GMSGAONNSA-N 1 0 193.246 1.596 10 10 ADCERO C[C@@H]1C[C@H]1[NH2+]Cc1ccccc1O 52270159 351564971 /nfs/dbraw/zinc/56/49/71/351564971.db2.gz ZVJGETUPDZHEDF-PSASIEDQSA-N 1 0 177.247 1.890 10 10 ADCERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(O)c(O)c1 52269983 351564993 /nfs/dbraw/zinc/56/49/93/351564993.db2.gz YEXNWPOZMSETPF-VXNVDRBHSA-N 1 0 193.246 1.596 10 10 ADCERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccccc1O 52270152 351565164 /nfs/dbraw/zinc/56/51/64/351565164.db2.gz ZVJGETUPDZHEDF-SCZZXKLOSA-N 1 0 177.247 1.890 10 10 ADCERO C[C@@H]1C[C@@H]1[NH2+]Cc1cccc(O)c1O 52275162 351565742 /nfs/dbraw/zinc/56/57/42/351565742.db2.gz YTKFHQVGWXMFDL-APPZFPTMSA-N 1 0 193.246 1.596 10 10 ADCERO C[C@@H]1C[C@H]1[NH2+]Cc1cccc(O)c1O 52275165 351565780 /nfs/dbraw/zinc/56/57/80/351565780.db2.gz YTKFHQVGWXMFDL-VXNVDRBHSA-N 1 0 193.246 1.596 10 10 ADCERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(N)cc1 52294314 351567372 /nfs/dbraw/zinc/56/73/72/351567372.db2.gz VPPVMWYLKYDDGJ-LDYMZIIASA-N 1 0 176.263 1.767 10 10 ADCERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(N)cc1 52294309 351568115 /nfs/dbraw/zinc/56/81/15/351568115.db2.gz VPPVMWYLKYDDGJ-KCJUWKMLSA-N 1 0 176.263 1.767 10 10 ADCERO Oc1ccc([C@@H]2CCC[NH2+]2)cc1O 72201506 351615092 /nfs/dbraw/zinc/61/50/92/351615092.db2.gz JVTOPHFPJFJJHB-QMMMGPOBSA-N 1 0 179.219 1.522 10 10 ADCERO Oc1ccc([C@H]2CCC[NH2+]2)cc1O 72201507 351616023 /nfs/dbraw/zinc/61/60/23/351616023.db2.gz JVTOPHFPJFJJHB-MRVPVSSYSA-N 1 0 179.219 1.522 10 10 ADCERO CC[C@@H](C)[NH2+]Cc1cc(O)ccc1O 83342283 351645609 /nfs/dbraw/zinc/64/56/09/351645609.db2.gz BGDMJTPIDNOWNL-MRVPVSSYSA-N 1 0 195.262 1.986 10 10 ADCERO S=C1C=C[C@@H]2[NH2+]CCC2=C1 89209672 351663186 /nfs/dbraw/zinc/66/31/86/351663186.db2.gz DTCCEXWNRXDNAC-QMMMGPOBSA-N 1 0 151.234 1.214 10 10 ADCERO CC[NH2+][C@@H]1CCc2cccc(O)c21 257815520 351850545 /nfs/dbraw/zinc/85/05/45/351850545.db2.gz CVUQZOHAXMDYQW-SECBINFHSA-N 1 0 177.247 1.989 10 10 ADCERO CC[NH2+][C@H]1CCc2cccc(O)c21 257815521 351850797 /nfs/dbraw/zinc/85/07/97/351850797.db2.gz CVUQZOHAXMDYQW-VIFPVBQESA-N 1 0 177.247 1.989 10 10 ADCERO C[NH+](C)[C@H]1CCc2cccc(O)c21 257902721 351854685 /nfs/dbraw/zinc/85/46/85/351854685.db2.gz PDHFCLQGDZUWIZ-VIFPVBQESA-N 1 0 177.247 1.941 10 10 ADCERO C[NH+](C)[C@@H]1CCc2cccc(O)c21 257902720 351854851 /nfs/dbraw/zinc/85/48/51/351854851.db2.gz PDHFCLQGDZUWIZ-SECBINFHSA-N 1 0 177.247 1.941 10 10 ADCERO Oc1ccccc1C[NH2+]CC1COC1 527816367 352170956 /nfs/dbraw/zinc/17/09/56/352170956.db2.gz BVZXFXCKOCFSQF-UHFFFAOYSA-N 1 0 193.246 1.128 10 10 ADCERO COc1cccc([C@H]([NH3+])CCF)c1O 575438148 352203454 /nfs/dbraw/zinc/20/34/54/352203454.db2.gz GCNKSWPAXYCOBJ-MRVPVSSYSA-N 1 0 199.225 1.760 10 10 ADCERO [NH3+]CCC[C@H]([NH3+])c1cccc(F)c1[O-] 575438065 352202738 /nfs/dbraw/zinc/20/27/38/352202738.db2.gz DELJBYUDWPUSMX-VIFPVBQESA-N 1 0 198.241 1.270 10 10 ADCERO COc1ccc([C@H]([NH3+])CCF)c(O)c1 575438876 352203127 /nfs/dbraw/zinc/20/31/27/352203127.db2.gz DUXNIXGVKXQSQM-SECBINFHSA-N 1 0 199.225 1.760 10 10 ADCERO [NH3+][C@H](CCF)c1ccc(O)c(O)c1 575438926 352203134 /nfs/dbraw/zinc/20/31/34/352203134.db2.gz ODPIBIOTIGJFFN-SSDOTTSWSA-N 1 0 185.198 1.457 10 10 ADCERO COc1cccc(O)c1[C@@H]([NH3+])CCF 575438684 352203218 /nfs/dbraw/zinc/20/32/18/352203218.db2.gz MZKQGUJFCOTAKZ-ZETCQYMHSA-N 1 0 199.225 1.760 10 10 ADCERO [NH3+]CCC[C@@H]([NH3+])c1cccc(F)c1[O-] 575438721 352203239 /nfs/dbraw/zinc/20/32/39/352203239.db2.gz DELJBYUDWPUSMX-SECBINFHSA-N 1 0 198.241 1.270 10 10 ADCERO COc1cccc([C@@H]([NH3+])CCF)c1O 575438114 352203376 /nfs/dbraw/zinc/20/33/76/352203376.db2.gz GCNKSWPAXYCOBJ-QMMMGPOBSA-N 1 0 199.225 1.760 10 10 ADCERO [NH3+][C@H](CCF)c1cc(F)ccc1O 575438989 352203419 /nfs/dbraw/zinc/20/34/19/352203419.db2.gz PSAPROYVRRKINX-MRVPVSSYSA-N 1 0 187.189 1.891 10 10 ADCERO COc1cccc(O)c1[C@H]([NH3+])CCF 575438688 352203490 /nfs/dbraw/zinc/20/34/90/352203490.db2.gz MZKQGUJFCOTAKZ-SSDOTTSWSA-N 1 0 199.225 1.760 10 10 ADCERO [NH3+][C@H](CCF)c1cc(O)ccc1O 575438895 352203582 /nfs/dbraw/zinc/20/35/82/352203582.db2.gz FSQNCZAHOWJRHD-MRVPVSSYSA-N 1 0 185.198 1.457 10 10 ADCERO [NH3+][C@@H](CCF)c1ccc(O)c(O)c1 575438994 352203872 /nfs/dbraw/zinc/20/38/72/352203872.db2.gz ODPIBIOTIGJFFN-ZETCQYMHSA-N 1 0 185.198 1.457 10 10 ADCERO [NH3+][C@@H](CCF)c1cc(O)ccc1O 575439539 352203900 /nfs/dbraw/zinc/20/39/00/352203900.db2.gz FSQNCZAHOWJRHD-QMMMGPOBSA-N 1 0 185.198 1.457 10 10 ADCERO COc1ccc([C@@H]([NH3+])CCF)c(O)c1 575439530 352203921 /nfs/dbraw/zinc/20/39/21/352203921.db2.gz DUXNIXGVKXQSQM-VIFPVBQESA-N 1 0 199.225 1.760 10 10 ADCERO [NH3+][C@H](CCF)c1ccccc1O 575439448 352203941 /nfs/dbraw/zinc/20/39/41/352203941.db2.gz MCDUAVCMYWDWPL-MRVPVSSYSA-N 1 0 169.199 1.752 10 10 ADCERO COc1ccc(O)c([C@H]([NH3+])CCF)c1 575439916 352204024 /nfs/dbraw/zinc/20/40/24/352204024.db2.gz OKURQGMKXVKZGZ-SECBINFHSA-N 1 0 199.225 1.760 10 10 ADCERO [NH3+][C@H](CCF)c1cccc(O)c1O 575439450 352204031 /nfs/dbraw/zinc/20/40/31/352204031.db2.gz MDYNUAHZXIRSDE-SSDOTTSWSA-N 1 0 185.198 1.457 10 10 ADCERO [NH3+][C@@H](CCF)c1cc(F)ccc1O 575439182 352204084 /nfs/dbraw/zinc/20/40/84/352204084.db2.gz PSAPROYVRRKINX-QMMMGPOBSA-N 1 0 187.189 1.891 10 10 ADCERO [NH3+][C@H](CCF)c1ccc(O)cc1O 575439160 352204144 /nfs/dbraw/zinc/20/41/44/352204144.db2.gz VIYIQDNSLUBOAZ-MRVPVSSYSA-N 1 0 185.198 1.457 10 10 ADCERO [NH3+][C@@H](CCF)c1cccc(O)c1O 575440170 352204834 /nfs/dbraw/zinc/20/48/34/352204834.db2.gz MDYNUAHZXIRSDE-ZETCQYMHSA-N 1 0 185.198 1.457 10 10 ADCERO [NH3+][C@@H](CCF)c1ccccc1O 575440168 352204864 /nfs/dbraw/zinc/20/48/64/352204864.db2.gz MCDUAVCMYWDWPL-QMMMGPOBSA-N 1 0 169.199 1.752 10 10 ADCERO COc1ccc(O)c([C@@H]([NH3+])CCF)c1 575440334 352204892 /nfs/dbraw/zinc/20/48/92/352204892.db2.gz OKURQGMKXVKZGZ-VIFPVBQESA-N 1 0 199.225 1.760 10 10 ADCERO [NH3+][C@@H](CCF)c1ccc(O)cc1O 575440439 352204904 /nfs/dbraw/zinc/20/49/04/352204904.db2.gz VIYIQDNSLUBOAZ-QMMMGPOBSA-N 1 0 185.198 1.457 10 10 ADCERO Cn1c(Cl)cnc1C=C1CC([NH3+])C1 575451503 352214896 /nfs/dbraw/zinc/21/48/96/352214896.db2.gz IAEAZMFTFRIVIU-UHFFFAOYSA-N 1 0 197.669 1.578 10 10 ADCERO Cn1ccnc1C=C1CC[NH2+]CC1 575557501 352664374 /nfs/dbraw/zinc/66/43/74/352664374.db2.gz JIAHLIRRXCFVOR-UHFFFAOYSA-N 1 0 177.251 1.187 10 10 ADCERO CCn1ccnc1C=C1CC([NH3+])C1 575559104 352670797 /nfs/dbraw/zinc/67/07/97/352670797.db2.gz FUMMMPNHADBDBA-UHFFFAOYSA-N 1 0 177.251 1.408 10 10 ADCERO CC(C)([NH3+])CSc1nccs1 575559040 352670856 /nfs/dbraw/zinc/67/08/56/352670856.db2.gz FMFNNKPVTUHMAJ-UHFFFAOYSA-N 1 0 188.321 1.973 10 10 ADCERO Cn1ccnc1/C=C1/CC[C@H]([NH3+])C1 575560735 352678291 /nfs/dbraw/zinc/67/82/91/352678291.db2.gz MUBJHCIXQMNEOJ-FUOZMLNRSA-N 1 0 177.251 1.315 10 10 ADCERO Cn1ccnc1/C=C1/CC[C@@H]([NH3+])C1 575560736 352678474 /nfs/dbraw/zinc/67/84/74/352678474.db2.gz MUBJHCIXQMNEOJ-UFGYOYAJSA-N 1 0 177.251 1.315 10 10 ADCERO Cn1c(Cl)cnc1/C=C1/CC[NH2+]C1 575595359 352854697 /nfs/dbraw/zinc/85/46/97/352854697.db2.gz FHBLPJCTZHFKPT-DAXSKMNVSA-N 1 0 197.669 1.450 10 10 ADCERO CC(=O)C(C=Cc1ccccc1)[N+]#N 584609549 371836621 /nfs/dbraw/zinc/83/66/21/371836621.db2.gz FXTOYBQSNGPKFZ-BQYQJAHWSA-N 1 0 186.214 1.960 10 10 ADCERO C[Si](C)(C)CCOC(=O)C[N+]#N 584630176 371840340 /nfs/dbraw/zinc/84/03/40/371840340.db2.gz PBDJXDWRCUWLCK-UHFFFAOYSA-N 1 0 186.287 1.168 10 10 ADCERO C[C@@H](OC(=O)C[N+]#N)c1ccco1 584651950 375555150 /nfs/dbraw/zinc/55/51/50/375555150.db2.gz RSFGSARUUPWYQX-ZCFIWIBFSA-N 1 0 180.163 1.184 10 10 ADCERO C[C@H](OC(=O)C[N+]#N)c1ccco1 584651948 375555360 /nfs/dbraw/zinc/55/53/60/375555360.db2.gz RSFGSARUUPWYQX-LURJTMIESA-N 1 0 180.163 1.184 10 10 ADCERO C[N+](C)(C)c1ccc(O)c(O)c1 1844247 717089974 /nfs/dbraw/zinc/08/99/74/717089974.db2.gz FRXGPNFUFZWJET-UHFFFAOYSA-O 1 0 168.216 1.295 10 10 ADCERO C[N+](C)(C)Cc1c(O)ccc(O)c1O 6068160 717103410 /nfs/dbraw/zinc/10/34/10/717103410.db2.gz LOWSAKFPXDAIRC-UHFFFAOYSA-O 1 0 198.242 1.010 10 10 ADCERO C[N+](C)(C)Cc1cccc(O)c1O 6068165 717103532 /nfs/dbraw/zinc/10/35/32/717103532.db2.gz WVUCCYPTKSKWSY-UHFFFAOYSA-O 1 0 182.243 1.304 10 10 ADCERO C[N+](C)(C)Cc1cc(O)cc(O)c1O 6068162 717103655 /nfs/dbraw/zinc/10/36/55/717103655.db2.gz SKWXWVDALJNNGH-UHFFFAOYSA-O 1 0 198.242 1.010 10 10 ADCERO Cc1ccc(O)c(C[N+](C)(C)C)c1 33640014 717121557 /nfs/dbraw/zinc/12/15/57/717121557.db2.gz DBNHFFAISYUHET-UHFFFAOYSA-O 1 0 180.271 1.907 10 10 ADCERO CC[N+](C)(C)Cc1ccccc1O 196605279 717158554 /nfs/dbraw/zinc/15/85/54/717158554.db2.gz GJPUUIUWMSDQCC-UHFFFAOYSA-O 1 0 180.271 1.989 10 10 ADCERO C[C@@H]1[NH2+][C@H](C)Cc2cccc(O)c21 14723605 572016570 /nfs/dbraw/zinc/01/65/70/572016570.db2.gz YDQCMOAPRXUJIY-SFYZADRCSA-N 1 0 177.247 1.987 10 10 ADCERO Cc1cc(O)c([C@@H]([NH3+])CO)cc1C 72197443 572611976 /nfs/dbraw/zinc/61/19/76/572611976.db2.gz FIZWXMFHROMVQU-VIFPVBQESA-N 1 0 181.235 1.001 10 10 ADCERO Oc1cc2c(cc1O)C1(CC1)C[NH2+]C2 71491344 572830516 /nfs/dbraw/zinc/83/05/16/572830516.db2.gz UILNYXHGFCOUJO-UHFFFAOYSA-N 1 0 191.230 1.233 10 10 ADCERO [NH3+][C@@H](CNC1CC1)c1ccccc1O 258223306 573016313 /nfs/dbraw/zinc/01/63/13/573016313.db2.gz QYJNRSCYLSSKGV-JTQLQIEISA-N 1 0 192.262 1.144 10 10 ADCERO C[C@H]([NH3+])c1cc(N(C)C)ccc1O 257942336 573085639 /nfs/dbraw/zinc/08/56/39/573085639.db2.gz DHRVLSJGYSDHGT-ZETCQYMHSA-N 1 0 180.251 1.478 10 10 ADCERO Oc1ccccc1C[NH2+]CC1(F)CC1 308512834 573166577 /nfs/dbraw/zinc/16/65/77/573166577.db2.gz KXPMZDRXKWKVSZ-UHFFFAOYSA-N 1 0 195.237 1.984 10 10 ADCERO C[NH2+]C[C@@H]1Cc2cc3c(cc21)OCO3 238309679 573199675 /nfs/dbraw/zinc/19/96/75/573199675.db2.gz KLJJNKJLQQPFIG-QMMMGPOBSA-N 1 0 191.230 1.274 10 10 ADCERO [NH3+]C1(c2ccc3c(c2O)OCO3)CC1 257968860 573203607 /nfs/dbraw/zinc/20/36/07/573203607.db2.gz CNHSXQSBYAVAIM-UHFFFAOYSA-N 1 0 193.202 1.069 10 10 ADCERO CC[C@H]([NH3+])c1cc(C)cc(O)c1O 238311375 573203150 /nfs/dbraw/zinc/20/31/50/573203150.db2.gz SGUVCBUCZUMCPD-QMMMGPOBSA-N 1 0 181.235 1.816 10 10 ADCERO CC[C@H]([NH3+])c1cc(N)cc(OC)c1O 238313509 573208866 /nfs/dbraw/zinc/20/88/66/573208866.db2.gz BPLXBOILRXYEHB-QMMMGPOBSA-N 1 0 196.250 1.393 10 10 ADCERO C[NH2+][C@@H]1CCCc2cccc(O)c21 257963991 573209270 /nfs/dbraw/zinc/20/92/70/573209270.db2.gz XUBNKHNEDHSNFA-SECBINFHSA-N 1 0 177.247 1.989 10 10 ADCERO Cc1cc(CCCC[NH3+])cc(O)c1O 257971045 573212694 /nfs/dbraw/zinc/21/26/94/573212694.db2.gz CVJSLDQUTLAQLN-UHFFFAOYSA-N 1 0 195.262 1.688 10 10 ADCERO CC[C@H]([NH3+])c1cc(O)c(F)cc1O 238313697 573212762 /nfs/dbraw/zinc/21/27/62/573212762.db2.gz QZDOMESVSLVPME-ZETCQYMHSA-N 1 0 185.198 1.647 10 10 ADCERO CC[C@H]([NH3+])c1cc(O)cc(OC)c1O 238313928 573213122 /nfs/dbraw/zinc/21/31/22/573213122.db2.gz JVEWRKRYXDFCFC-QMMMGPOBSA-N 1 0 197.234 1.516 10 10 ADCERO CC[C@H]([NH3+])c1c(O)cc(N)cc1F 238309331 573225155 /nfs/dbraw/zinc/22/51/55/573225155.db2.gz LMMCWZMCHSNCPS-ZETCQYMHSA-N 1 0 184.214 1.523 10 10 ADCERO C[NH2+][C@@H](C)c1c(C)ccc(OC)c1O 238321142 573230098 /nfs/dbraw/zinc/23/00/98/573230098.db2.gz ISVVBKDLSRRDRD-QMMMGPOBSA-N 1 0 195.262 1.990 10 10 ADCERO C[C@@H]1C[NH2+][C@@H](c2ccccc2O)OC1 258487475 573239644 /nfs/dbraw/zinc/23/96/44/573239644.db2.gz LMRGNJROSCTDMR-LDYMZIIASA-N 1 0 193.246 1.647 10 10 ADCERO CC[C@H]([NH3+])c1cccc(N)c1O 238318078 573251550 /nfs/dbraw/zinc/25/15/50/573251550.db2.gz QKRGTEPZWYJOGG-ZETCQYMHSA-N 1 0 166.224 1.384 10 10 ADCERO Cc1cc(C[C@@H](C)[NH3+])c(O)c(O)c1C 257979212 573251995 /nfs/dbraw/zinc/25/19/95/573251995.db2.gz DNWQJOUZPXCXCD-SSDOTTSWSA-N 1 0 195.262 1.604 10 10 ADCERO Cc1c(C[C@H](C)[NH3+])cc(O)c(O)c1C 257987059 573272119 /nfs/dbraw/zinc/27/21/19/573272119.db2.gz FGVBAVMFMUUJDC-LURJTMIESA-N 1 0 195.262 1.604 10 10 ADCERO C[C@@]1(c2cccc(O)c2O)CCC[NH2+]1 257989352 573273454 /nfs/dbraw/zinc/27/34/54/573273454.db2.gz FMFLAJKDXWTEIV-NSHDSACASA-N 1 0 193.246 1.696 10 10 ADCERO COc1cc(O)c(C(C)(C)[NH3+])cc1C 257989296 573274034 /nfs/dbraw/zinc/27/40/34/573274034.db2.gz FIXDNPPBRYORQL-UHFFFAOYSA-N 1 0 195.262 1.903 10 10 ADCERO CN(C)c1ccc2c(c1)C(=O)C[C@H]2[NH3+] 238331013 573276707 /nfs/dbraw/zinc/27/67/07/573276707.db2.gz OJCBBIAIJTVAHK-SNVBAGLBSA-N 1 0 190.246 1.339 10 10 ADCERO Oc1ccc(F)c([C@H]2CC[NH2+]C2)c1O 257996655 573294873 /nfs/dbraw/zinc/29/48/73/573294873.db2.gz GBDMEKXOLQCINY-LURJTMIESA-N 1 0 197.209 1.314 10 10 ADCERO C[NH+](C)Cc1ccc2c(c1O)CCC2 238335114 573294963 /nfs/dbraw/zinc/29/49/63/573294963.db2.gz HYPNTKGCFPLHIN-UHFFFAOYSA-N 1 0 191.274 1.943 10 10 ADCERO Cn1c(CC[NH3+])ccc1-c1ccco1 74274257 573294360 /nfs/dbraw/zinc/29/43/60/573294360.db2.gz IOZHYZPTYGEFBB-UHFFFAOYSA-N 1 0 190.246 1.786 10 10 ADCERO COc1cc(C(C)(C)[NH3+])c(O)cc1F 257995115 573295931 /nfs/dbraw/zinc/29/59/31/573295931.db2.gz BRFBEJWREMVXNY-UHFFFAOYSA-N 1 0 199.225 1.734 10 10 ADCERO C[C@H]1CO[C@@H](c2ccccc2O)[NH2+]1 258623377 573298195 /nfs/dbraw/zinc/29/81/95/573298195.db2.gz RIOYJZYLNOFTLW-XVKPBYJWSA-N 1 0 179.219 1.399 10 10 ADCERO CCc1cc(O)c(O)c([C@@H](C)[NH3+])c1 238335476 573298618 /nfs/dbraw/zinc/29/86/18/573298618.db2.gz NHTAUMTZRLXROX-ZCFIWIBFSA-N 1 0 181.235 1.680 10 10 ADCERO C[NH2+]C1CN(c2ccc(OC)cc2)C1 259076363 573303557 /nfs/dbraw/zinc/30/35/57/573303557.db2.gz CGNRUBBTXDWBMX-UHFFFAOYSA-N 1 0 192.262 1.103 10 10 ADCERO Cn1c(C[NH3+])ccc1-c1cc[nH]c1 74308579 573314857 /nfs/dbraw/zinc/31/48/57/573314857.db2.gz KJAKMBKGXCEDRA-UHFFFAOYSA-N 1 0 175.235 1.479 10 10 ADCERO N#[N+]CC(=O)c1cc(Cl)ccc1F 106876361 573325456 /nfs/dbraw/zinc/32/54/56/573325456.db2.gz FCRQGTYYRIVFMA-UHFFFAOYSA-N 1 0 198.584 1.962 10 10 ADCERO COc1ccc2c(c1O)C[NH2+]C2 258629517 573326285 /nfs/dbraw/zinc/32/62/85/573326285.db2.gz XMFWTRVLFLBVCP-UHFFFAOYSA-N 1 0 165.192 1.004 10 10 ADCERO COC[C@H]([NH3+])c1cc(C)cc(C)c1O 238358387 573331848 /nfs/dbraw/zinc/33/18/48/573331848.db2.gz BUBIGFIBMUZRED-JTQLQIEISA-N 1 0 195.262 1.655 10 10 ADCERO C[C@@H](O)CCNc1ccc(N)cc1 82991250 573348626 /nfs/dbraw/zinc/34/86/26/573348626.db2.gz DKQHRUFOTMNTAS-MRVPVSSYSA-N 1 0 180.251 1.452 10 10 ADCERO CSc1ccc2c(c1O)[C@H]([NH3+])CO2 238380137 573362273 /nfs/dbraw/zinc/36/22/73/573362273.db2.gz NRAZXZJRVPLVMU-RXMQYKEDSA-N 1 0 197.259 1.506 10 10 ADCERO [NH3+]C[C@@H](CF)c1ccc(O)c(O)c1 107130837 573370162 /nfs/dbraw/zinc/37/01/62/573370162.db2.gz SDVFIMIGJACSGR-SSDOTTSWSA-N 1 0 185.198 1.110 10 10 ADCERO [NH3+]C[C@H](CF)c1ccc(O)c(O)c1 107130840 573370223 /nfs/dbraw/zinc/37/02/23/573370223.db2.gz SDVFIMIGJACSGR-ZETCQYMHSA-N 1 0 185.198 1.110 10 10 ADCERO CC[C@@H]1C[NH2+]Cc2c(O)cccc21 258323002 573370598 /nfs/dbraw/zinc/37/05/98/573370598.db2.gz UMCWZTASPCKTNW-MRVPVSSYSA-N 1 0 177.247 1.989 10 10 ADCERO COc1cc(C)c(O)c(C[NH+](C)C)c1 238370018 573370824 /nfs/dbraw/zinc/37/08/24/573370824.db2.gz YZKOBMQVABTGLI-UHFFFAOYSA-N 1 0 195.262 1.771 10 10 ADCERO Nc1ccc(C[NH+]2CCCC2)c(O)c1 117775532 573370852 /nfs/dbraw/zinc/37/08/52/573370852.db2.gz GREIWYYNJXYQCD-UHFFFAOYSA-N 1 0 192.262 1.570 10 10 ADCERO CSc1ccc2c(c1O)[C@@H]([NH3+])CO2 238380194 573371343 /nfs/dbraw/zinc/37/13/43/573371343.db2.gz NRAZXZJRVPLVMU-YFKPBYRVSA-N 1 0 197.259 1.506 10 10 ADCERO Cc1ccc(CC(C)(C)[NH3+])c(O)c1O 258014209 573371353 /nfs/dbraw/zinc/37/13/53/573371353.db2.gz HQRUIGLHPPVEFN-UHFFFAOYSA-N 1 0 195.262 1.686 10 10 ADCERO COc1cc(O)c2c(c1)OCC[C@@H]2[NH3+] 238372577 573378760 /nfs/dbraw/zinc/37/87/60/573378760.db2.gz MAGVJGXOZZQPNJ-ZETCQYMHSA-N 1 0 195.218 1.183 10 10 ADCERO COc1cc(O)c2c(c1)CCC[C@@H]2[NH3+] 238372552 573378934 /nfs/dbraw/zinc/37/89/34/573378934.db2.gz BBONTLFPDVKCAJ-VIFPVBQESA-N 1 0 193.246 1.737 10 10 ADCERO C[C@](C[NH3+])(CF)c1ccc(O)c(O)c1 107142221 573379245 /nfs/dbraw/zinc/37/92/45/573379245.db2.gz TUPWGXVGSYVERO-SNVBAGLBSA-N 1 0 199.225 1.284 10 10 ADCERO Oc1cc([C@H]2CC[NH2+]C2)cc(F)c1O 258016848 573379257 /nfs/dbraw/zinc/37/92/57/573379257.db2.gz HWJZOHHHHIVXME-LURJTMIESA-N 1 0 197.209 1.314 10 10 ADCERO COc1cc(O)c2c(c1)CC[C@H]2[NH3+] 238372733 573379301 /nfs/dbraw/zinc/37/93/01/573379301.db2.gz VPUSYVRKMNDASQ-MRVPVSSYSA-N 1 0 179.219 1.347 10 10 ADCERO C[C@H]([NH3+])c1c(F)ccc(N)c1O 211713000 573384368 /nfs/dbraw/zinc/38/43/68/573384368.db2.gz JKNMYDWGRKWQGK-BYPYZUCNSA-N 1 0 170.187 1.133 10 10 ADCERO COc1cc(N)cc([C@@H](C)[NH3+])c1O 238376650 573389048 /nfs/dbraw/zinc/38/90/48/573389048.db2.gz MWMFPNMFRPRMJZ-RXMQYKEDSA-N 1 0 182.223 1.003 10 10 ADCERO COc1cc(N)cc([C@H](C)[NH3+])c1O 238376731 573388622 /nfs/dbraw/zinc/38/86/22/573388622.db2.gz MWMFPNMFRPRMJZ-YFKPBYRVSA-N 1 0 182.223 1.003 10 10 ADCERO CCn1ccc(C[C@@H](C)[NH2+]C)cc1=O 257810105 573396341 /nfs/dbraw/zinc/39/63/41/573396341.db2.gz AEGMKWLDUINXGB-SECBINFHSA-N 1 0 194.278 1.019 10 10 ADCERO COC[C@H]1[NH2+]CCc2cccc(O)c21 257810056 573399225 /nfs/dbraw/zinc/39/92/25/573399225.db2.gz ABFSKXPHRMZIAV-SECBINFHSA-N 1 0 193.246 1.225 10 10 ADCERO CCC[C@H](O)[C@@H]([NH3+])c1ccccc1O 308579980 573419342 /nfs/dbraw/zinc/41/93/42/573419342.db2.gz JINCWGMBBPJIAR-QWRGUYRKSA-N 1 0 195.262 1.553 10 10 ADCERO Cc1cc(CCC[NH3+])c(O)c(O)c1C 258024784 573420459 /nfs/dbraw/zinc/42/04/59/573420459.db2.gz IOWLDHUORLPMOC-UHFFFAOYSA-N 1 0 195.262 1.606 10 10 ADCERO [NH3+]C1(c2c(F)ccc(O)c2O)CCC1 258024786 573423953 /nfs/dbraw/zinc/42/39/53/573423953.db2.gz IOYALKGRCCMZBC-UHFFFAOYSA-N 1 0 197.209 1.575 10 10 ADCERO CO[C@H](c1ccc(O)c(O)c1)[C@H](C)[NH3+] 238391192 573424534 /nfs/dbraw/zinc/42/45/34/573424534.db2.gz MERTWYJVRRDIDS-WKEGUHRASA-N 1 0 197.234 1.133 10 10 ADCERO [NH3+]C1(c2c(Cl)ccc(O)c2O)CC1 258025437 573424591 /nfs/dbraw/zinc/42/45/91/573424591.db2.gz DWXSUCYMABNPQO-UHFFFAOYSA-N 1 0 199.637 1.699 10 10 ADCERO COc1cc(O)c(O)c([C@H](C)[NH3+])c1 238392608 573427668 /nfs/dbraw/zinc/42/76/68/573427668.db2.gz RDHMIXIQFDIVGZ-YFKPBYRVSA-N 1 0 183.207 1.126 10 10 ADCERO COc1cc(O)c(O)c([C@@H](C)[NH3+])c1 238392595 573430650 /nfs/dbraw/zinc/43/06/50/573430650.db2.gz RDHMIXIQFDIVGZ-RXMQYKEDSA-N 1 0 183.207 1.126 10 10 ADCERO C[NH+](C)[C@H]1CCOc2cccc(O)c21 257812310 573430694 /nfs/dbraw/zinc/43/06/94/573430694.db2.gz BRJHJLUQEIRICI-QMMMGPOBSA-N 1 0 193.246 1.777 10 10 ADCERO C[NH2+][C@@H]1CCNc2cccc(O)c21 257812058 573434459 /nfs/dbraw/zinc/43/44/59/573434459.db2.gz BKXFBSOZTCHHMG-SSDOTTSWSA-N 1 0 178.235 1.468 10 10 ADCERO Cc1ccc(C2([NH3+])CC2)c(O)c1C 258031032 573434882 /nfs/dbraw/zinc/43/48/82/573434882.db2.gz PCLRTUZIVDQKHH-UHFFFAOYSA-N 1 0 177.247 1.957 10 10 ADCERO COc1ccc2c(c1O)C[NH2+][C@@H]2C 257815792 573468525 /nfs/dbraw/zinc/46/85/25/573468525.db2.gz CYTQDZDUBZYEIZ-ZCFIWIBFSA-N 1 0 179.219 1.565 10 10 ADCERO C[C@@H]1CNc2cc(C[NH3+])ccc2N1C 258395140 573468738 /nfs/dbraw/zinc/46/87/38/573468738.db2.gz BLBLOIQAPGJVSK-MRVPVSSYSA-N 1 0 191.278 1.396 10 10 ADCERO COc1ccc2c(c1O)C[NH2+][C@H]2C 257815791 573468974 /nfs/dbraw/zinc/46/89/74/573468974.db2.gz CYTQDZDUBZYEIZ-LURJTMIESA-N 1 0 179.219 1.565 10 10 ADCERO CN(C)c1ccc(O)c(C2([NH3+])CC2)c1 258045206 573473565 /nfs/dbraw/zinc/47/35/65/573473565.db2.gz KDLXTNHDEMKSEW-UHFFFAOYSA-N 1 0 192.262 1.406 10 10 ADCERO COc1ccc(C2([NH3+])CCC2)c(O)c1 75068054 573474557 /nfs/dbraw/zinc/47/45/57/573474557.db2.gz DRJYIUKTCFDURP-UHFFFAOYSA-N 1 0 193.246 1.739 10 10 ADCERO C[C@H]([NH3+])c1c([O-])c(F)cc(F)c1F 258045225 573475098 /nfs/dbraw/zinc/47/50/98/573475098.db2.gz KDTWRDKQEAIYJE-VKHMYHEASA-N 1 0 191.152 1.829 10 10 ADCERO COc1cc([C@@H](C)[NH3+])c(O)cc1O 238412479 573475271 /nfs/dbraw/zinc/47/52/71/573475271.db2.gz CQTVQMDBVKUXAG-RXMQYKEDSA-N 1 0 183.207 1.126 10 10 ADCERO C[C@@H]([NH3+])c1c(N)ccc(F)c1O 238415556 573485587 /nfs/dbraw/zinc/48/55/87/573485587.db2.gz OFHHISBZVZSLJD-SCSAIBSYSA-N 1 0 170.187 1.133 10 10 ADCERO COc1ccc2c(c1)C[C@@H](C[NH3+])N2C 107295664 573486073 /nfs/dbraw/zinc/48/60/73/573486073.db2.gz YHUKLTJHBOJXSN-VIFPVBQESA-N 1 0 192.262 1.015 10 10 ADCERO C[C@@H]([NH3+])c1ccc(N(C)C)cc1O 86569691 573491089 /nfs/dbraw/zinc/49/10/89/573491089.db2.gz RSVJMGOZSIHYJO-SSDOTTSWSA-N 1 0 180.251 1.478 10 10 ADCERO C[NH2+][C@H](C)c1ccc(N(C)C)cc1O 86569693 573491235 /nfs/dbraw/zinc/49/12/35/573491235.db2.gz HKQHPSSVSCKZPT-MRVPVSSYSA-N 1 0 194.278 1.739 10 10 ADCERO Cc1cc(C[NH3+])c(F)c(O)c1O 258039641 573491255 /nfs/dbraw/zinc/49/12/55/573491255.db2.gz PYOJFQQHCCTDJP-UHFFFAOYSA-N 1 0 171.171 1.004 10 10 ADCERO CCN(C)c1ccc([C@H](C)[NH3+])c(O)c1 86569699 573491331 /nfs/dbraw/zinc/49/13/31/573491331.db2.gz PYLQKAPMUKWNSH-QMMMGPOBSA-N 1 0 194.278 1.868 10 10 ADCERO COc1ccc(N(C)C)cc1[C@H](C)[NH3+] 258047638 573500224 /nfs/dbraw/zinc/50/02/24/573500224.db2.gz KGSMLKWUNPQLIW-QMMMGPOBSA-N 1 0 194.278 1.781 10 10 ADCERO Cc1cc([C@@H](C)[NH3+])c(O)c(N)c1C 238418537 573500865 /nfs/dbraw/zinc/50/08/65/573500865.db2.gz UPRUDNWXXGUXFI-SSDOTTSWSA-N 1 0 180.251 1.611 10 10 ADCERO C[C@@H]([NH3+])c1cc(Cl)cc(O)c1O 238420301 573509057 /nfs/dbraw/zinc/50/90/57/573509057.db2.gz JRPNSBJRDVOUME-SCSAIBSYSA-N 1 0 187.626 1.771 10 10 ADCERO Cc1cc(O)c([C@@H](C)[NH3+])cc1N 238424485 573519429 /nfs/dbraw/zinc/51/94/29/573519429.db2.gz IYWFCJOHNIMCAE-ZCFIWIBFSA-N 1 0 166.224 1.303 10 10 ADCERO Cc1cc(O)c(O)cc1C[C@@H](C)[NH3+] 257828355 573532274 /nfs/dbraw/zinc/53/22/74/573532274.db2.gz IJHQPTYVAIBCFC-SSDOTTSWSA-N 1 0 181.235 1.296 10 10 ADCERO N#[N+]CC(=O)c1ccccc1F 78634555 573554977 /nfs/dbraw/zinc/55/49/77/573554977.db2.gz GXLIAZBYQARRTI-UHFFFAOYSA-N 1 0 164.139 1.309 10 10 ADCERO C[C@@H]1CC[N@@H+]1CCc1ccc(N)cc1 86678153 573560143 /nfs/dbraw/zinc/56/01/43/573560143.db2.gz ZKMMGRIZULYEKQ-SNVBAGLBSA-N 1 0 190.290 1.906 10 10 ADCERO [NH3+]CC1(c2ccc(O)c(O)c2)CC1 257830471 573560234 /nfs/dbraw/zinc/56/02/34/573560234.db2.gz JOIDNPVCEYTXSE-UHFFFAOYSA-N 1 0 179.219 1.088 10 10 ADCERO [NH3+][C@@H]1CCCc2cc(O)c(O)cc21 145195137 573560298 /nfs/dbraw/zinc/56/02/98/573560298.db2.gz UBVSKTABASCPDR-MRVPVSSYSA-N 1 0 179.219 1.434 10 10 ADCERO CC1(C)CN(c2ccc(C[NH3+])cc2)C1 86681705 573565674 /nfs/dbraw/zinc/56/56/74/573565674.db2.gz VZZNKAQKNHIPLG-UHFFFAOYSA-N 1 0 190.290 1.992 10 10 ADCERO COc1cc(F)cc([C@H]2CC[NH2+]2)c1O 95784526 573565767 /nfs/dbraw/zinc/56/57/67/573565767.db2.gz REVJGXFBDFTDNE-MRVPVSSYSA-N 1 0 197.209 1.574 10 10 ADCERO CC1CN(c2ccc(C[NH3+])cc2)C1 86681711 573568961 /nfs/dbraw/zinc/56/89/61/573568961.db2.gz DZZBUKMWCKNCJK-UHFFFAOYSA-N 1 0 176.263 1.601 10 10 ADCERO C[C@@H]1CCN1c1ccc(C[NH3+])cc1 86681731 573569835 /nfs/dbraw/zinc/56/98/35/573569835.db2.gz OGSLUKNXPACDQI-SECBINFHSA-N 1 0 176.263 1.744 10 10 ADCERO [NH3+]Cc1ccc(N2CC3(CC3)C2)cc1 86681725 573570009 /nfs/dbraw/zinc/57/00/09/573570009.db2.gz CXNJUPCFSKJXDM-UHFFFAOYSA-N 1 0 188.274 1.746 10 10 ADCERO C[C@@H](c1ccccc1O)N1CC([NH3+])C1 83634686 573573317 /nfs/dbraw/zinc/57/33/17/573573317.db2.gz BHWZUHWILSJLJN-QMMMGPOBSA-N 1 0 192.262 1.096 10 10 ADCERO CO[C@H](C)CNc1ccc(N)cc1 145275346 573577454 /nfs/dbraw/zinc/57/74/54/573577454.db2.gz XEOVPHDQYSDROI-MRVPVSSYSA-N 1 0 180.251 1.716 10 10 ADCERO Cc1c(CC[NH3+])ccc2ccn(C)c12 75459554 573577594 /nfs/dbraw/zinc/57/75/94/573577594.db2.gz STSTTZSQFKAVQL-UHFFFAOYSA-N 1 0 188.274 1.988 10 10 ADCERO COc1cc(C[NH3+])c(O)c(C)c1C 258066755 573588000 /nfs/dbraw/zinc/58/80/00/573588000.db2.gz TWKUPQQGKDIRLX-UHFFFAOYSA-N 1 0 181.235 1.476 10 10 ADCERO C[C@@H]1C[NH2+][C@@](C)(c2ccccc2O)O1 238455740 573592687 /nfs/dbraw/zinc/59/26/87/573592687.db2.gz PQYCAMIXFUDNRW-LDYMZIIASA-N 1 0 193.246 1.573 10 10 ADCERO Cc1ccc(C)c([C@@](C)([NH3+])CO)c1O 238455818 573594259 /nfs/dbraw/zinc/59/42/59/573594259.db2.gz VWTZMHQXPGUZRK-NSHDSACASA-N 1 0 195.262 1.175 10 10 ADCERO C[C@@H]1C[NH2+][C@@H](c2ccc(O)c(O)c2)C1 238455138 573594701 /nfs/dbraw/zinc/59/47/01/573594701.db2.gz GUMREPMMBIOQNY-IONNQARKSA-N 1 0 193.246 1.768 10 10 ADCERO CC(C)Cn1ccc(CC[NH3+])cc1=O 257837330 573607028 /nfs/dbraw/zinc/60/70/28/573607028.db2.gz KZODBDRSEBYAMB-UHFFFAOYSA-N 1 0 194.278 1.006 10 10 ADCERO C[NH2+]C1(c2ccccc2O)CC(F)C1 257837366 573609867 /nfs/dbraw/zinc/60/98/67/573609867.db2.gz LAXHYHYWIHFBNL-UHFFFAOYSA-N 1 0 195.237 1.939 10 10 ADCERO Cc1cc(C)c(O)c([C@@H]([NH3+])[C@@H](C)O)c1 238452883 573622729 /nfs/dbraw/zinc/62/27/29/573622729.db2.gz IMLWTYYEGIVXQN-SCZZXKLOSA-N 1 0 195.262 1.390 10 10 ADCERO Cc1cc(O)c([C@@H]([NH3+])[C@@H](C)O)cc1C 238452588 573622752 /nfs/dbraw/zinc/62/27/52/573622752.db2.gz CBEMYPFWWLODHL-KCJUWKMLSA-N 1 0 195.262 1.390 10 10 ADCERO Cc1cccc(O)c1[C@H]([NH3+])[C@H](C)O 238459802 573632691 /nfs/dbraw/zinc/63/26/91/573632691.db2.gz JKHQDFUGAYXYRT-OIBJUYFYSA-N 1 0 181.235 1.081 10 10 ADCERO C[C@@H](CF)[NH2+]Cc1ccc(O)c(O)c1 308652585 573638032 /nfs/dbraw/zinc/63/80/32/573638032.db2.gz LRHHJNSCMMBHMB-ZETCQYMHSA-N 1 0 199.225 1.545 10 10 ADCERO Cc1cc(O)c([C@H]([NH3+])[C@H](C)O)cc1C 238461137 573638275 /nfs/dbraw/zinc/63/82/75/573638275.db2.gz CBEMYPFWWLODHL-GZMMTYOYSA-N 1 0 195.262 1.390 10 10 ADCERO C[C@@]1(c2ccccc2O)[NH2+]CCS1 75598315 573638462 /nfs/dbraw/zinc/63/84/62/573638462.db2.gz UJMADGHHOYHVSC-SNVBAGLBSA-N 1 0 195.287 1.901 10 10 ADCERO C[C@H]1c2c(O)ccc(O)c2CC[N@H+]1C 238471312 573656511 /nfs/dbraw/zinc/65/65/11/573656511.db2.gz YEIZOXFDQHGAMZ-ZETCQYMHSA-N 1 0 193.246 1.647 10 10 ADCERO C[C@@H]1CO[C@](C)(c2ccccc2O)[NH2+]1 258505424 573656909 /nfs/dbraw/zinc/65/69/09/573656909.db2.gz MFKUJYCFJLXPBP-LDYMZIIASA-N 1 0 193.246 1.573 10 10 ADCERO Cc1cc(C2([NH3+])CCC2)cc(O)c1O 258075770 573668716 /nfs/dbraw/zinc/66/87/16/573668716.db2.gz MSZXEJMCGRICCV-UHFFFAOYSA-N 1 0 193.246 1.744 10 10 ADCERO OC[C@H]1CC[NH2+][C@H]1c1ccccc1O 257847201 573682297 /nfs/dbraw/zinc/68/22/97/573682297.db2.gz NWKCKYBDZJZXTQ-LDYMZIIASA-N 1 0 193.246 1.035 10 10 ADCERO OC[C@H]1CC[NH2+][C@@H]1c1ccccc1O 257847198 573682527 /nfs/dbraw/zinc/68/25/27/573682527.db2.gz NWKCKYBDZJZXTQ-KCJUWKMLSA-N 1 0 193.246 1.035 10 10 ADCERO CC(C)([NH3+])c1cc(O)c(O)c(F)c1 258093361 573682756 /nfs/dbraw/zinc/68/27/56/573682756.db2.gz OBMJBTPNBCZTKS-UHFFFAOYSA-N 1 0 185.198 1.431 10 10 ADCERO Cc1[nH][nH+]c(C)c2ccc(C=O)c1-2 238470183 573686424 /nfs/dbraw/zinc/68/64/24/573686424.db2.gz LQVDNFPCQADIJD-UHFFFAOYSA-N 1 0 174.203 1.944 10 10 ADCERO C[C@H]1[NH2+]CCc2c1ccc(O)c2O 75793199 573696976 /nfs/dbraw/zinc/69/69/76/573696976.db2.gz DZYVXGBVZYPALR-ZCFIWIBFSA-N 1 0 179.219 1.305 10 10 ADCERO C[C@@H]1[NH2+]CCc2c1cc(O)c(O)c2O 75818645 573698873 /nfs/dbraw/zinc/69/88/73/573698873.db2.gz XKDWPXTWJQHXBK-YFKPBYRVSA-N 1 0 195.218 1.010 10 10 ADCERO CC(C)Oc1ccc(N(C)C[NH3+])cc1 258885408 573699053 /nfs/dbraw/zinc/69/90/53/573699053.db2.gz MKXUHMCZMDBVAY-UHFFFAOYSA-N 1 0 194.278 1.826 10 10 ADCERO COc1c(F)ccc(C(C)(C)[NH3+])c1O 258099924 573707253 /nfs/dbraw/zinc/70/72/53/573707253.db2.gz KIPPLDHDVYIFMO-UHFFFAOYSA-N 1 0 199.225 1.734 10 10 ADCERO CC(C)([NH3+])Cc1cccc(O)c1O 258095854 573711447 /nfs/dbraw/zinc/71/14/47/573711447.db2.gz XFEQHJOOCPWEEK-UHFFFAOYSA-N 1 0 181.235 1.378 10 10 ADCERO Cc1ccc(/C=C/C[NH3+])c(O)c1O 258095917 573711810 /nfs/dbraw/zinc/71/18/10/573711810.db2.gz XFULUFZGLJFKMB-NSCUHMNNSA-N 1 0 179.219 1.378 10 10 ADCERO Cc1cc(O)c2c(c1O)CC[C@H]2[NH3+] 238492924 573714460 /nfs/dbraw/zinc/71/44/60/573714460.db2.gz DUBWFGYJBLOGJK-SSDOTTSWSA-N 1 0 179.219 1.352 10 10 ADCERO Cc1cc(O)c2c(c1N)CCC[C@@H]2[NH3+] 238492656 573714551 /nfs/dbraw/zinc/71/45/51/573714551.db2.gz RVKKMQSPXNJAFM-QMMMGPOBSA-N 1 0 192.262 1.619 10 10 ADCERO Cc1cc(O)c2c(c1O)CCC[C@H]2[NH3+] 238492862 573714750 /nfs/dbraw/zinc/71/47/50/573714750.db2.gz PQQUCPWUCXYUCC-MRVPVSSYSA-N 1 0 193.246 1.742 10 10 ADCERO Cc1ccc(F)c([C@@](C)([NH3+])CO)c1O 238492173 573715086 /nfs/dbraw/zinc/71/50/86/573715086.db2.gz SCHJXCKYYCAMIU-JTQLQIEISA-N 1 0 199.225 1.006 10 10 ADCERO Cc1cc(O)c2c(c1N)CC[C@H]2[NH3+] 238492905 573715119 /nfs/dbraw/zinc/71/51/19/573715119.db2.gz QUEYEPOQZWSNCG-SSDOTTSWSA-N 1 0 178.235 1.229 10 10 ADCERO Cc1ccc(F)c([C@](C)([NH3+])CO)c1O 238492688 573715347 /nfs/dbraw/zinc/71/53/47/573715347.db2.gz SCHJXCKYYCAMIU-SNVBAGLBSA-N 1 0 199.225 1.006 10 10 ADCERO Cc1cc(C)c(O)c([C@@H]([NH3+])[C@H](C)O)c1 238487445 573731484 /nfs/dbraw/zinc/73/14/84/573731484.db2.gz IMLWTYYEGIVXQN-WPRPVWTQSA-N 1 0 195.262 1.390 10 10 ADCERO C=Cc1ccc(O)c([C@@H]([NH3+])[C@H](C)O)c1 238487728 573731552 /nfs/dbraw/zinc/73/15/52/573731552.db2.gz CHTZHNYVQJACKT-CPCISQLKSA-N 1 0 193.246 1.416 10 10 ADCERO CSc1cccc(O)c1[C@@H]([NH3+])CO 258111027 573731756 /nfs/dbraw/zinc/73/17/56/573731756.db2.gz LLMWAVRYJRJBKX-LURJTMIESA-N 1 0 199.275 1.106 10 10 ADCERO Cc1cc(O)c(C(C)(C)[NH3+])cc1O 258109598 573731781 /nfs/dbraw/zinc/73/17/81/573731781.db2.gz YUNKWGBDXIKFRC-UHFFFAOYSA-N 1 0 181.235 1.600 10 10 ADCERO CSc1cccc(O)c1[C@H]([NH3+])CO 258111031 573732248 /nfs/dbraw/zinc/73/22/48/573732248.db2.gz LLMWAVRYJRJBKX-ZCFIWIBFSA-N 1 0 199.275 1.106 10 10 ADCERO Cc1ccc([C@H]([NH3+])CF)c(O)c1C 238488784 573732485 /nfs/dbraw/zinc/73/24/85/573732485.db2.gz ANTJQJDFPVCAGP-SECBINFHSA-N 1 0 183.226 1.978 10 10 ADCERO C[C@H]1C[NH2+][C@@H](c2ccccc2O)CO1 108302886 573744478 /nfs/dbraw/zinc/74/44/78/573744478.db2.gz HIDMPAZBKGLXSA-WCBMZHEXSA-N 1 0 193.246 1.442 10 10 ADCERO C[C@@H]1C[NH2+][C@H](c2ccccc2O)CO1 108302881 573744502 /nfs/dbraw/zinc/74/45/02/573744502.db2.gz HIDMPAZBKGLXSA-SCZZXKLOSA-N 1 0 193.246 1.442 10 10 ADCERO C[NH2+]CC1(c2ccc(O)c(O)c2)CC1 257861161 573744534 /nfs/dbraw/zinc/74/45/34/573744534.db2.gz VRMJYMDQAHNHNW-UHFFFAOYSA-N 1 0 193.246 1.349 10 10 ADCERO Cc1cc([C@H](C)C[NH3+])c(O)c(O)c1C 258116034 573744834 /nfs/dbraw/zinc/74/48/34/573744834.db2.gz QCCKZLXAIFILRA-SSDOTTSWSA-N 1 0 195.262 1.777 10 10 ADCERO C[C@H]1C[NH2+][C@H](c2ccccc2O)CO1 108302882 573745964 /nfs/dbraw/zinc/74/59/64/573745964.db2.gz HIDMPAZBKGLXSA-WPRPVWTQSA-N 1 0 193.246 1.442 10 10 ADCERO C[C@@H]1C[NH2+][C@@H](c2ccccc2O)CO1 108302884 573746322 /nfs/dbraw/zinc/74/63/22/573746322.db2.gz HIDMPAZBKGLXSA-PSASIEDQSA-N 1 0 193.246 1.442 10 10 ADCERO C[C@@H]1COC[C@@H](c2ccccc2O)[NH2+]1 108302911 573746540 /nfs/dbraw/zinc/74/65/40/573746540.db2.gz VLQZTKKHVZBEBS-SCZZXKLOSA-N 1 0 193.246 1.442 10 10 ADCERO Cc1ccc2c(c1O)[C@H]([NH3+])CCO2 238500558 573746558 /nfs/dbraw/zinc/74/65/58/573746558.db2.gz FWQVCQJNMYKUFX-SSDOTTSWSA-N 1 0 179.219 1.483 10 10 ADCERO Cc1cc([C@@H](C)C[NH3+])c(O)c(O)c1C 258116037 573748192 /nfs/dbraw/zinc/74/81/92/573748192.db2.gz QCCKZLXAIFILRA-ZETCQYMHSA-N 1 0 195.262 1.777 10 10 ADCERO CO[C@@H]1C[NH2+][C@@H](c2ccccc2O)C1 257864553 573750897 /nfs/dbraw/zinc/75/08/97/573750897.db2.gz RTLKFKOXBAJRKD-WCBMZHEXSA-N 1 0 193.246 1.442 10 10 ADCERO CO[C@H]1C[NH2+][C@@H](c2ccccc2O)C1 257864547 573754137 /nfs/dbraw/zinc/75/41/37/573754137.db2.gz RTLKFKOXBAJRKD-PSASIEDQSA-N 1 0 193.246 1.442 10 10 ADCERO Cn1cc2c3c(c(O)ccc31)C[NH2+]C2 257864645 573754277 /nfs/dbraw/zinc/75/42/77/573754277.db2.gz RVDPUOLAKJOZIY-UHFFFAOYSA-N 1 0 188.230 1.487 10 10 ADCERO [NH3+]Cc1ccc2c(c1O)CCC2 258120136 573755447 /nfs/dbraw/zinc/75/54/47/573755447.db2.gz ZVKUQSYQJDGVFH-UHFFFAOYSA-N 1 0 163.220 1.340 10 10 ADCERO Cc1cc(O)c(O)cc1CC[C@H](C)[NH3+] 257867956 573755535 /nfs/dbraw/zinc/75/55/35/573755535.db2.gz XLGPTFKTHGAAFY-QMMMGPOBSA-N 1 0 195.262 1.686 10 10 ADCERO [NH3+]C[C@@H](c1ccccc1O)N1CCC1 257868082 573756377 /nfs/dbraw/zinc/75/63/77/573756377.db2.gz SLNKZSBQUVYMRB-JTQLQIEISA-N 1 0 192.262 1.098 10 10 ADCERO Cc1cc(O)c(O)cc1CC[C@@H](C)[NH3+] 257867953 573756666 /nfs/dbraw/zinc/75/66/66/573756666.db2.gz XLGPTFKTHGAAFY-MRVPVSSYSA-N 1 0 195.262 1.686 10 10 ADCERO C=Cc1ccc(O)c([C@@](C)([NH3+])CO)c1 238506258 573757104 /nfs/dbraw/zinc/75/71/04/573757104.db2.gz WYNJXDNNCQQQKT-NSHDSACASA-N 1 0 193.246 1.201 10 10 ADCERO [NH3+]C[C@H](c1ccccc1O)N1CCC1 257868085 573757167 /nfs/dbraw/zinc/75/71/67/573757167.db2.gz SLNKZSBQUVYMRB-SNVBAGLBSA-N 1 0 192.262 1.098 10 10 ADCERO CN1C[C@H]([NH3+])C[C@@H]1c1ccccc1O 108340872 573768576 /nfs/dbraw/zinc/76/85/76/573768576.db2.gz LYBKFKLVTLDLTM-PSASIEDQSA-N 1 0 192.262 1.096 10 10 ADCERO C[NH2+][C@H](C)Cc1cc(O)c(O)cc1C 257870522 573768720 /nfs/dbraw/zinc/76/87/20/573768720.db2.gz YBXVRULAVRDYJM-MRVPVSSYSA-N 1 0 195.262 1.557 10 10 ADCERO C[NH2+][C@@H](C)Cc1cc(O)c(O)cc1C 257870524 573770036 /nfs/dbraw/zinc/77/00/36/573770036.db2.gz YBXVRULAVRDYJM-QMMMGPOBSA-N 1 0 195.262 1.557 10 10 ADCERO OC[C@H]1C[NH2+][C@H](c2ccccc2O)C1 108340983 573769434 /nfs/dbraw/zinc/76/94/34/573769434.db2.gz XPRYCOXMIKTTOG-SCZZXKLOSA-N 1 0 193.246 1.035 10 10 ADCERO Cc1c(O)ccc([C@H]([NH3+])C2CC2)c1O 238509804 573769480 /nfs/dbraw/zinc/76/94/80/573769480.db2.gz YUWQEIKPMJDHGZ-SNVBAGLBSA-N 1 0 193.246 1.816 10 10 ADCERO COc1ccc(N(C)C[NH3+])c(OC)c1 258933986 573769807 /nfs/dbraw/zinc/76/98/07/573769807.db2.gz SDGSPSDOHVMGMO-UHFFFAOYSA-N 1 0 196.250 1.056 10 10 ADCERO C[NH2+]C[C@H](F)c1ccc(O)c(O)c1 257870577 573769930 /nfs/dbraw/zinc/76/99/30/573769930.db2.gz YECHXMVQLHUSSI-ZETCQYMHSA-N 1 0 185.198 1.328 10 10 ADCERO CC(C)(C)OC(=O)[n+]1ccccc1 238101791 573773958 /nfs/dbraw/zinc/77/39/58/573773958.db2.gz YMDMLHNWPBWYCH-UHFFFAOYSA-N 1 0 180.227 1.757 10 10 ADCERO COc1cc(C)cc(C(C)(C)[NH3+])c1O 258126547 573775019 /nfs/dbraw/zinc/77/50/19/573775019.db2.gz RDGGKQNWOUPSLV-UHFFFAOYSA-N 1 0 195.262 1.903 10 10 ADCERO Cc1c(F)cc2c(c1O)[C@@H]([NH3+])CC2 238503237 573782538 /nfs/dbraw/zinc/78/25/38/573782538.db2.gz VMRRODKVIPDUHK-QMMMGPOBSA-N 1 0 181.210 1.786 10 10 ADCERO Cc1cc(F)cc([C@](C)([NH3+])CO)c1O 238529443 573808124 /nfs/dbraw/zinc/80/81/24/573808124.db2.gz IKPKCNHURHVJQU-SNVBAGLBSA-N 1 0 199.225 1.006 10 10 ADCERO COc1cc(F)c(F)c(C[NH3+])c1O 258136231 573810890 /nfs/dbraw/zinc/81/08/90/573810890.db2.gz RZXNIOZJCCFAJA-UHFFFAOYSA-N 1 0 189.161 1.138 10 10 ADCERO CCC[NH2+]Cc1cccc(O)c1O 41049367 573814366 /nfs/dbraw/zinc/81/43/66/573814366.db2.gz CAFDFHSXIRFAMS-UHFFFAOYSA-N 1 0 181.235 1.597 10 10 ADCERO CC[C@H](C)[NH2+]Cc1cccc(O)c1O 41049377 573814432 /nfs/dbraw/zinc/81/44/32/573814432.db2.gz FYSUHNUKHOHJLA-QMMMGPOBSA-N 1 0 195.262 1.986 10 10 ADCERO C[N@@H+]1CC[C@H](O)[C@H]1c1ccccc1O 257885235 573830476 /nfs/dbraw/zinc/83/04/76/573830476.db2.gz WCGOTEIQFLEXIN-WDEREUQCSA-N 1 0 193.246 1.130 10 10 ADCERO CC(C)([NH3+])c1cc(CCO)ccc1O 238148207 573831198 /nfs/dbraw/zinc/83/11/98/573831198.db2.gz KGTRNNXUHJYRIH-UHFFFAOYSA-N 1 0 195.262 1.121 10 10 ADCERO C[NH2+]Cc1cc(O)c(C)cc1O 143487922 573831827 /nfs/dbraw/zinc/83/18/27/573831827.db2.gz FKBHONRHNBZNGN-UHFFFAOYSA-N 1 0 167.208 1.126 10 10 ADCERO Cc1cc(O)c(C[NH2+]C(C)C)cc1O 143487028 573831254 /nfs/dbraw/zinc/83/12/54/573831254.db2.gz FCPJKTHVSKTZFV-UHFFFAOYSA-N 1 0 195.262 1.904 10 10 ADCERO CC(C)([NH3+])c1c(O)cccc1O 238147117 573831618 /nfs/dbraw/zinc/83/16/18/573831618.db2.gz NAOLBZQRFWLPKJ-UHFFFAOYSA-N 1 0 167.208 1.292 10 10 ADCERO C[N@@H+]1CC[C@@H](O)[C@@H]1c1ccccc1O 257885231 573831739 /nfs/dbraw/zinc/83/17/39/573831739.db2.gz WCGOTEIQFLEXIN-MNOVXSKESA-N 1 0 193.246 1.130 10 10 ADCERO C[N@@H+]1CC[C@@H](O)[C@H]1c1ccccc1O 257885229 573832269 /nfs/dbraw/zinc/83/22/69/573832269.db2.gz WCGOTEIQFLEXIN-GHMZBOCLSA-N 1 0 193.246 1.130 10 10 ADCERO CC(C)([NH3+])c1c(O)ccc2c1OCO2 258153039 573835686 /nfs/dbraw/zinc/83/56/86/573835686.db2.gz UIVOMPYCBZZZOB-UHFFFAOYSA-N 1 0 195.218 1.315 10 10 ADCERO [NH3+]Cc1ccc2c(c1O)OCCCO2 258153060 573837910 /nfs/dbraw/zinc/83/79/10/573837910.db2.gz UJWOVGICXQZTLJ-UHFFFAOYSA-N 1 0 195.218 1.012 10 10 ADCERO CC(C)Oc1cccc(C[NH3+])c1O 238158063 573842487 /nfs/dbraw/zinc/84/24/87/573842487.db2.gz NCLFCOFCWHCBCE-UHFFFAOYSA-N 1 0 181.235 1.638 10 10 ADCERO CC(C)c1ccc(O)c2c1OC[C@@H]2[NH3+] 238159044 573841997 /nfs/dbraw/zinc/84/19/97/573841997.db2.gz LUJDKMHIISVUPB-QMMMGPOBSA-N 1 0 193.246 1.908 10 10 ADCERO Cc1cccc(O)c1[C@](C)([NH3+])CCO 238537321 573846740 /nfs/dbraw/zinc/84/67/40/573846740.db2.gz VZUZQDACBGDMJJ-LLVKDONJSA-N 1 0 195.262 1.257 10 10 ADCERO Cc1c(O)ccc(C2([NH3+])CCC2)c1O 258160724 573847280 /nfs/dbraw/zinc/84/72/80/573847280.db2.gz VCMRZBUMSANEQW-UHFFFAOYSA-N 1 0 193.246 1.744 10 10 ADCERO CC(C)([NH3+])Cc1cc(O)c(O)c(F)c1 258165636 573861634 /nfs/dbraw/zinc/86/16/34/573861634.db2.gz PSOWMKMJQUQBFO-UHFFFAOYSA-N 1 0 199.225 1.517 10 10 ADCERO Cc1cc(C)c([C@@](C)([NH3+])CO)c(O)c1 238546741 573861971 /nfs/dbraw/zinc/86/19/71/573861971.db2.gz KCSPWYONKMOTFN-NSHDSACASA-N 1 0 195.262 1.175 10 10 ADCERO COc1cc(C)c(N(C)C[NH3+])cc1C 258974953 573866616 /nfs/dbraw/zinc/86/66/16/573866616.db2.gz XLTIXOURPNLXDY-UHFFFAOYSA-N 1 0 194.278 1.664 10 10 ADCERO Oc1ccccc1C[NH2+]C1CC(O)C1 84422050 573884133 /nfs/dbraw/zinc/88/41/33/573884133.db2.gz BRTIINWMCNBLSK-UHFFFAOYSA-N 1 0 193.246 1.005 10 10 ADCERO CC(C)[C@H]([NH3+])c1ccc(O)c(F)c1O 238179501 573884619 /nfs/dbraw/zinc/88/46/19/573884619.db2.gz SQNBKIPNHOSOCV-VIFPVBQESA-N 1 0 199.225 1.893 10 10 ADCERO N#[N+]CC(=O)c1cccs1 84426684 573885944 /nfs/dbraw/zinc/88/59/44/573885944.db2.gz OCKWSISBKGKOLY-UHFFFAOYSA-N 1 0 152.178 1.231 10 10 ADCERO CCN1CCc2cc(C[NH2+]C)ccc21 258172210 573886198 /nfs/dbraw/zinc/88/61/98/573886198.db2.gz OENICPCJJIQFCE-UHFFFAOYSA-N 1 0 190.290 1.788 10 10 ADCERO [NH3+]C[C@@H]1Cc2cc3c(cc21)OCO3 144997646 573890443 /nfs/dbraw/zinc/89/04/43/573890443.db2.gz GXBXXAKNNDLMSW-ZETCQYMHSA-N 1 0 177.203 1.014 10 10 ADCERO CCc1ccc(O)c([C@H](CO)[NH2+]C)c1 211761223 573902963 /nfs/dbraw/zinc/90/29/63/573902963.db2.gz SEKVXLAPFYURJV-JTQLQIEISA-N 1 0 195.262 1.207 10 10 ADCERO [NH3+]C1(Cc2ccc(O)c(O)c2F)CC1 258176671 573907035 /nfs/dbraw/zinc/90/70/35/573907035.db2.gz WHYUUHNYASKTBH-UHFFFAOYSA-N 1 0 197.209 1.271 10 10 ADCERO COCc1cccc(C(C)(C)[NH3+])c1O 258181903 573926867 /nfs/dbraw/zinc/92/68/67/573926867.db2.gz WQUGKYRHASHKER-UHFFFAOYSA-N 1 0 195.262 1.732 10 10 ADCERO Oc1ccccc1[C@@H]1CSCC[NH2+]1 257901519 573927052 /nfs/dbraw/zinc/92/70/52/573927052.db2.gz YVILZHMVYGWOMF-VIFPVBQESA-N 1 0 195.287 1.770 10 10 ADCERO COc1cc(C)c(O)c(C(C)(C)[NH3+])c1 258184273 573941052 /nfs/dbraw/zinc/94/10/52/573941052.db2.gz WUPYUKMQCJJKNS-UHFFFAOYSA-N 1 0 195.262 1.903 10 10 ADCERO C[C@H](C[NH3+])c1ccc(F)c(O)c1O 258184275 573941751 /nfs/dbraw/zinc/94/17/51/573941751.db2.gz WUTAVXQQEBYZPJ-RXMQYKEDSA-N 1 0 185.198 1.299 10 10 ADCERO COCc1cccc([C@@H](C)[NH3+])c1O 257911917 573955925 /nfs/dbraw/zinc/95/59/25/573955925.db2.gz AWZKOZRQUCVZKX-SSDOTTSWSA-N 1 0 181.235 1.558 10 10 ADCERO COc1cc(O)c([C@H](C)[NH3+])cc1OC 104403207 573976550 /nfs/dbraw/zinc/97/65/50/573976550.db2.gz SXPJYFMEJASUOT-LURJTMIESA-N 1 0 197.234 1.429 10 10 ADCERO C[C@@H]([NH3+])c1c(O)cccc1O 104403455 573976931 /nfs/dbraw/zinc/97/69/31/573976931.db2.gz SJFOUJQHRLSONM-RXMQYKEDSA-N 1 0 153.181 1.118 10 10 ADCERO CC(C)[C@@H]([NH3+])c1cccc(CO)c1O 104452237 573984080 /nfs/dbraw/zinc/98/40/80/573984080.db2.gz AUNRXJKGAHPXKX-SNVBAGLBSA-N 1 0 195.262 1.540 10 10 ADCERO CC[C@@H]([NH3+])c1cc(CO)ccc1O 104454034 573985087 /nfs/dbraw/zinc/98/50/87/573985087.db2.gz UIVJDLOCOZOWLA-SECBINFHSA-N 1 0 181.235 1.294 10 10 ADCERO Cc1cc(O)c([C@@](C)([NH3+])CO)cc1C 104451055 573985366 /nfs/dbraw/zinc/98/53/66/573985366.db2.gz MKLQORNVDWAFJW-NSHDSACASA-N 1 0 195.262 1.175 10 10 ADCERO [NH3+]CC1(c2ccc(O)c(O)c2F)CC1 258198756 574001403 /nfs/dbraw/zinc/00/14/03/574001403.db2.gz YCGALHIZPQAILC-UHFFFAOYSA-N 1 0 197.209 1.227 10 10 ADCERO CC(=O)[C@@H]([NH3+])c1cc(Cl)ccc1O 104492623 574007791 /nfs/dbraw/zinc/00/77/91/574007791.db2.gz XBRXZRJVURPXED-SECBINFHSA-N 1 0 199.637 1.634 10 10 ADCERO [NH3+]C/C=C/c1ccc(F)c(O)c1O 258203250 574008558 /nfs/dbraw/zinc/00/85/58/574008558.db2.gz YQBJCEBNSSDXOC-OWOJBTEDSA-N 1 0 183.182 1.209 10 10 ADCERO C[C@H]([NH3+])c1ccc([S-])cc1O 104505954 574020879 /nfs/dbraw/zinc/02/08/79/574020879.db2.gz NFVHNOCHJMXEPV-YFKPBYRVSA-N 1 0 169.249 1.701 10 10 ADCERO CCOc1ccc(N2CC([NH3+])C2)cc1 259286932 574033368 /nfs/dbraw/zinc/03/33/68/574033368.db2.gz UASSCVPIERGIRB-UHFFFAOYSA-N 1 0 192.262 1.233 10 10 ADCERO CCN1CCOc2cc(C[NH3+])ccc21 74338492 521709073 /nfs/dbraw/zinc/70/90/73/521709073.db2.gz UCCFDTAQMFQPHG-UHFFFAOYSA-N 1 0 192.262 1.364 10 10 ADCERO C[C@H](O)[C@H](C)[NH2+]Cc1ccccc1O 162953475 630053663 /nfs/dbraw/zinc/05/36/63/630053663.db2.gz RERQGWFGUKOEBG-IUCAKERBSA-N 1 0 195.262 1.251 10 10 ADCERO C[C@H](O)[C@@H](C)[NH2+]Cc1ccccc1O 162953591 630053860 /nfs/dbraw/zinc/05/38/60/630053860.db2.gz RERQGWFGUKOEBG-BDAKNGLRSA-N 1 0 195.262 1.251 10 10 ADCERO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccccc1O 162953364 630054005 /nfs/dbraw/zinc/05/40/05/630054005.db2.gz RERQGWFGUKOEBG-RKDXNWHRSA-N 1 0 195.262 1.251 10 10 ADCERO C[C@H]([NH2+]Cc1ccccc1O)[C@@H](C)O 162953238 630054160 /nfs/dbraw/zinc/05/41/60/630054160.db2.gz RERQGWFGUKOEBG-DTWKUNHWSA-N 1 0 195.262 1.251 10 10 ADCERO COc1ccc(N(C)CC[NH3+])cc1F 82588989 630843262 /nfs/dbraw/zinc/84/32/62/630843262.db2.gz IWPWVRVCAUUTEP-UHFFFAOYSA-N 1 0 198.241 1.229 10 10 ADCERO C[C@H]1CN(C)c2ccc(C[NH3+])cc2O1 74337347 524570220 /nfs/dbraw/zinc/57/02/20/524570220.db2.gz WSSKSPQWJAIEPK-QMMMGPOBSA-N 1 0 192.262 1.362 10 10 ADCERO C[C@@H]1CN(C)c2ccc(C[NH3+])cc2O1 74337344 524913471 /nfs/dbraw/zinc/91/34/71/524913471.db2.gz WSSKSPQWJAIEPK-MRVPVSSYSA-N 1 0 192.262 1.362 10 10 ADCERO COc1ccc2c(c1)[C@@H]([NH3+])CCN2C 20446639 525574126 /nfs/dbraw/zinc/57/41/26/525574126.db2.gz CHQHVSZCKLLKBI-JTQLQIEISA-N 1 0 192.262 1.535 10 10 ADCERO