smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]1c2ccccc2N(O)[C@@H]2CCCC[C@H]21 ZINC000001556720 187409104 /nfs/dbraw/zinc/40/91/04/187409104.db2.gz KNHHMVAQOHBRPE-VXGBXAGGSA-N 1 0 218.256 -0.011 40 0 BBABRO O=C1NC(=O)[C@@H](C23CC[NH+](CC2)CC3)N1 ZINC000001568400 342703377 /nfs/dbraw/zinc/70/33/77/342703377.db2.gz AVFLVOSKWMDKQI-ZETCQYMHSA-N 1 0 209.249 -0.320 40 0 BBABRO CC[C@H]([NH3+])C(=O)N[C@H](C(N)=O)C(C)C ZINC000001576280 397770197 /nfs/dbraw/zinc/77/01/97/397770197.db2.gz SIEMWBZOKDHHNZ-BQBZGAKWSA-N 1 0 201.270 -0.650 40 0 BBABRO CC[C@@H]([NH3+])C(=O)N[C@H](C(N)=O)C(C)C ZINC000001576281 397770188 /nfs/dbraw/zinc/77/01/88/397770188.db2.gz SIEMWBZOKDHHNZ-RQJHMYQMSA-N 1 0 201.270 -0.650 40 0 BBABRO CC[C@H]([NH3+])C(=O)N[C@@H](C(N)=O)C(C)C ZINC000001576282 397770169 /nfs/dbraw/zinc/77/01/69/397770169.db2.gz SIEMWBZOKDHHNZ-NKWVEPMBSA-N 1 0 201.270 -0.650 40 0 BBABRO CC[C@@H]([NH3+])C(=O)N[C@@H](C(N)=O)C(C)C ZINC000001576283 397770178 /nfs/dbraw/zinc/77/01/78/397770178.db2.gz SIEMWBZOKDHHNZ-RNFRBKRXSA-N 1 0 201.270 -0.650 40 0 BBABRO NC(=[NH2+])NCc1nnn(Cc2ccccc2)c1N ZINC000001576572 181191526 /nfs/dbraw/zinc/19/15/26/181191526.db2.gz JZIRPKAGZYOZCD-UHFFFAOYSA-N 1 0 245.290 -0.108 40 0 BBABRO CN(C)c1ncnc2c1ncn2C[C@@H](O)C[NH3+] ZINC000001578391 342704007 /nfs/dbraw/zinc/70/40/07/342704007.db2.gz NMAISKFWACZSSO-ZETCQYMHSA-N 1 0 236.279 -0.788 40 0 BBABRO CC(C)C[C@H](NC(=O)[C@@H](C)[NH3+])C(N)=O ZINC000001578635 191117988 /nfs/dbraw/zinc/11/79/88/191117988.db2.gz YXGZZYSVTBYGNJ-RQJHMYQMSA-N 1 0 201.270 -0.650 40 0 BBABRO CC(C)C[C@@H](NC(=O)[C@@H](C)[NH3+])C(N)=O ZINC000001578636 191118013 /nfs/dbraw/zinc/11/80/13/191118013.db2.gz YXGZZYSVTBYGNJ-RNFRBKRXSA-N 1 0 201.270 -0.650 40 0 BBABRO CC(C)C[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC000001578638 384409215 /nfs/dbraw/zinc/40/92/15/384409215.db2.gz YXGZZYSVTBYGNJ-NKWVEPMBSA-N 1 0 201.270 -0.650 40 0 BBABRO C[NH+]1CCC2(CC1)OCCN2CCO ZINC000001592682 173002925 /nfs/dbraw/zinc/00/29/25/173002925.db2.gz WJBCAVHZKZSGEA-UHFFFAOYSA-N 1 0 200.282 -0.267 40 0 BBABRO C[NH+](CCOC(N)=O)CCOC(N)=O ZINC000001610203 346459897 /nfs/dbraw/zinc/45/98/97/346459897.db2.gz QDEAALPWJFOYJJ-UHFFFAOYSA-N 1 0 205.214 -0.891 40 0 BBABRO CN(C)CC(CO)(CN(C)C)C[NH+](C)C ZINC000001636917 383915026 /nfs/dbraw/zinc/91/50/26/383915026.db2.gz DHAJNMVHAHUQDU-UHFFFAOYSA-N 1 0 217.357 -0.350 40 0 BBABRO CSc1n(N)cn[n+]1CC(=O)OC(C)(C)C ZINC000001639084 342706680 /nfs/dbraw/zinc/70/66/80/342706680.db2.gz AMZJMTCLLJPZJH-UHFFFAOYSA-N 1 0 245.328 -0.052 40 0 BBABRO CC(=O)CC(=O)NCCN1CC[NH+]=C1C ZINC000001655670 342707415 /nfs/dbraw/zinc/70/74/15/342707415.db2.gz NHJLFJNWVXPQPL-UHFFFAOYSA-N 1 0 211.265 -0.184 40 0 BBABRO O=c1[nH]c(=O)c(O)c(C[NH+]2CCCCC2)[nH]1 ZINC000001657220 342707364 /nfs/dbraw/zinc/70/73/64/342707364.db2.gz FDCKTSLNTBOHKH-UHFFFAOYSA-N 1 0 225.248 -0.245 40 0 BBABRO Nc1ccc(S(=O)(=O)NCC[NH3+])cc1 ZINC000001675018 181396743 /nfs/dbraw/zinc/39/67/43/181396743.db2.gz NBFKPKDIBNOBEP-UHFFFAOYSA-N 1 0 215.278 -0.494 40 0 in-vitro BBABRO NC(=O)C1([NH+](CCO)CCO)CCCC1 ZINC000001677909 181213769 /nfs/dbraw/zinc/21/37/69/181213769.db2.gz XPJYPWNRHPKFMP-UHFFFAOYSA-N 1 0 216.281 -0.929 40 0 BBABRO OCCCC[NH+](CCO)CCCCO ZINC000001690091 183049683 /nfs/dbraw/zinc/04/96/83/183049683.db2.gz HESBSZDDIGGELX-UHFFFAOYSA-N 1 0 205.298 -0.174 40 0 BBABRO OCCNc1[nH][nH+]c(NCCO)c2ncnc1-2 ZINC000001692108 183081199 /nfs/dbraw/zinc/08/11/99/183081199.db2.gz VMNMHBHRMRZGTD-UHFFFAOYSA-N 1 0 238.251 -0.839 40 0 BBABRO Nc1cc(N)nc(NCCC[C@@H]([NH3+])C(=O)[O-])n1 ZINC000001721167 342711158 /nfs/dbraw/zinc/71/11/58/342711158.db2.gz MKVLOPUGHLHTBH-RXMQYKEDSA-N 1 0 240.267 -0.755 40 0 BBABRO COC(=O)c1cc(C)n(C)c(=O)c1C[NH3+] ZINC000001723633 383930154 /nfs/dbraw/zinc/93/01/54/383930154.db2.gz VHRZBADTFFYURV-UHFFFAOYSA-N 1 0 210.233 -0.061 40 0 BBABRO CC(C)[C@H]([NH3+])C(=O)NCCCC[C@H]([NH3+])C(=O)[O-] ZINC000001737889 574411517 /nfs/dbraw/zinc/41/15/17/574411517.db2.gz RAXAFPFBNYFHTK-IUCAKERBSA-N 1 0 245.323 -0.332 40 0 endogenous,in-vitro BBABRO CC(C)[C@@H]([NH3+])C(=O)NCCCC[C@H]([NH3+])C(=O)[O-] ZINC000001737892 574411510 /nfs/dbraw/zinc/41/15/10/574411510.db2.gz RAXAFPFBNYFHTK-DTWKUNHWSA-N 1 0 245.323 -0.332 40 0 endogenous,in-vitro BBABRO CC(C)[C@H]([NH3+])C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-] ZINC000001737894 574411519 /nfs/dbraw/zinc/41/15/19/574411519.db2.gz RAXAFPFBNYFHTK-BDAKNGLRSA-N 1 0 245.323 -0.332 40 0 endogenous,in-vitro BBABRO CC(C)[C@@H]([NH3+])C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-] ZINC000001737898 574411505 /nfs/dbraw/zinc/41/15/05/574411505.db2.gz RAXAFPFBNYFHTK-RKDXNWHRSA-N 1 0 245.323 -0.332 40 0 endogenous,in-vitro BBABRO CC[NH2+]CCC1(CC)C(=O)NC(=O)NC1=O ZINC000001752377 170111753 /nfs/dbraw/zinc/11/17/53/170111753.db2.gz HSZVKXDGGILCNR-UHFFFAOYSA-N 1 0 227.264 -0.252 40 0 in-vitro BBABRO CCC1(CC[NH2+]C)C(=O)NC(=O)NC1=O ZINC000001752378 388830861 /nfs/dbraw/zinc/83/08/61/388830861.db2.gz LWCCHLBPSAUYLG-UHFFFAOYSA-N 1 0 213.237 -0.642 40 0 BBABRO CCOC(=O)[C@](C)(NC(=O)C[NH3+])C1CC1 ZINC000001763108 170283351 /nfs/dbraw/zinc/28/33/51/170283351.db2.gz WQIXVKHRIDKXON-SNVBAGLBSA-N 1 0 214.265 -0.207 40 0 BBABRO COC(=O)[C@@H](NC(=O)[C@H](C)[NH3+])C(C)C ZINC000002386642 370447192 /nfs/dbraw/zinc/44/71/92/370447192.db2.gz HFERNNXIGSVLPO-BQBZGAKWSA-N 1 0 202.254 -0.353 40 0 BBABRO Cn1ncc(Br)c1C(=O)NCC[NH3+] ZINC000002537865 342723358 /nfs/dbraw/zinc/72/33/58/342723358.db2.gz YWNICFOZRZXWBR-UHFFFAOYSA-N 1 0 247.096 -0.129 40 0 BBABRO CCOC(=O)[C@H](CCCNC(N)=[NH2+])NC(C)=O ZINC000002556507 170272276 /nfs/dbraw/zinc/27/22/76/170272276.db2.gz VAPHLLYHDMUQSW-QMMMGPOBSA-N 1 0 244.295 -0.683 40 0 BBABRO CCNC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-] ZINC000002560273 170041661 /nfs/dbraw/zinc/04/16/61/170041661.db2.gz ACYCISZIFHPQCU-LURJTMIESA-N 1 0 202.258 -0.688 40 0 in-vitro BBABRO CS(=O)(=O)c1ccc([C@@H](O)[C@H]([NH3+])CO)cc1 ZINC000002569289 383976872 /nfs/dbraw/zinc/97/68/72/383976872.db2.gz CIAZEFCFQFQJLB-NXEZZACHSA-N 1 0 245.300 -0.557 40 0 BBABRO COCCNC(=S)NCC[NH+](C)C ZINC000002766468 174330276 /nfs/dbraw/zinc/33/02/76/174330276.db2.gz KDDJOEHJLZNBPM-UHFFFAOYSA-N 1 0 205.327 -0.342 40 0 BBABRO Cc1cc(NCCO)nc(NCCO)[nH+]1 ZINC000003471128 178161854 /nfs/dbraw/zinc/16/18/54/178161854.db2.gz LTDMIBMUCDVYMB-UHFFFAOYSA-N 1 0 212.253 -0.407 40 0 BBABRO CCc1cc(=O)[nH]c(N2CC[NH2+]CC2)n1 ZINC000003716151 536091752 /nfs/dbraw/zinc/09/17/52/536091752.db2.gz QAXLRUPNVVQPNM-UHFFFAOYSA-N 1 0 208.265 -0.258 40 0 BBABRO [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000003791059 181378919 /nfs/dbraw/zinc/37/89/19/181378919.db2.gz AIXUQKMMBQJZCU-IUCAKERBSA-N 1 0 243.307 -0.482 40 0 endogenous,in-man BBABRO CC(C)C[C@H]1NC(=O)[C@@H]2C[C@@H]([NH3+])CCN2C1=O ZINC000003838531 372074748 /nfs/dbraw/zinc/07/47/48/372074748.db2.gz MIGGEXDPLQTNCW-AEJSXWLSSA-N 1 0 239.319 -0.151 40 0 biogenic,in-vitro BBABRO CC[NH+]1CCN(c2cc(=O)n(C)c(=O)[nH]2)CC1 ZINC000004033787 343769850 /nfs/dbraw/zinc/76/98/50/343769850.db2.gz NTNPMOXWQJXAIC-UHFFFAOYSA-N 1 0 238.291 -0.785 40 0 BBABRO COCc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH3+])nn1 ZINC000004260895 372187680 /nfs/dbraw/zinc/18/76/80/372187680.db2.gz JBCXORUUHLXZKF-AXTSPUMRSA-N 1 0 240.263 -0.910 40 0 biogenic,in-vitro BBABRO NC(=O)C1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000004298891 181216956 /nfs/dbraw/zinc/21/69/56/181216956.db2.gz NNMBNSDUKXMRKT-SECBINFHSA-N 1 0 225.292 -0.538 40 0 BBABRO NC(=O)C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000004298892 181216172 /nfs/dbraw/zinc/21/61/72/181216172.db2.gz NNMBNSDUKXMRKT-VIFPVBQESA-N 1 0 225.292 -0.538 40 0 BBABRO [NH3+]Cc1nc2ccccc2c(=O)n1CCO ZINC000004299070 360465155 /nfs/dbraw/zinc/46/51/55/360465155.db2.gz FDHXJOIFDWBXDA-UHFFFAOYSA-N 1 0 219.244 -0.153 40 0 BBABRO NC(=O)C1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000004312872 181216245 /nfs/dbraw/zinc/21/62/45/181216245.db2.gz RLBPACQOGWTRPN-JTQLQIEISA-N 1 0 239.319 -0.290 40 0 BBABRO NC(=O)C1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000004312873 181216759 /nfs/dbraw/zinc/21/67/59/181216759.db2.gz RLBPACQOGWTRPN-SNVBAGLBSA-N 1 0 239.319 -0.290 40 0 BBABRO NC(=O)C1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000004312874 181216736 /nfs/dbraw/zinc/21/67/36/181216736.db2.gz BXEYMHGLINHOKZ-JTQLQIEISA-N 1 0 239.319 -0.148 40 0 BBABRO NC(=O)C1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000004312875 181216876 /nfs/dbraw/zinc/21/68/76/181216876.db2.gz BXEYMHGLINHOKZ-SNVBAGLBSA-N 1 0 239.319 -0.148 40 0 BBABRO COC(=O)[C@@H](CCCC[NH3+])NC(C)=O ZINC000004534109 342748850 /nfs/dbraw/zinc/74/88/50/342748850.db2.gz HHOLXTXLQMKUGJ-MRVPVSSYSA-N 1 0 202.254 -0.207 40 0 in-vitro,metabolite BBABRO CN(C)C(=[NH2+])NCCC[C@@H]([NH3+])C(=O)[O-] ZINC000004543782 574412345 /nfs/dbraw/zinc/41/23/45/574412345.db2.gz YDGMGEXADBMOMJ-ZCFIWIBFSA-N 1 0 202.258 -0.736 40 0 endogenous,in-vitro BBABRO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)C(N)=O ZINC000004611628 346606203 /nfs/dbraw/zinc/60/62/03/346606203.db2.gz HIXZNVCQXQTOSJ-VQVTYTSYSA-N 1 0 201.270 -0.650 40 0 BBABRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)C(N)=O ZINC000004611630 171396007 /nfs/dbraw/zinc/39/60/07/171396007.db2.gz HIXZNVCQXQTOSJ-ACZMJKKPSA-N 1 0 201.270 -0.650 40 0 BBABRO CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)C(N)=O ZINC000004611631 346605977 /nfs/dbraw/zinc/60/59/77/346605977.db2.gz HIXZNVCQXQTOSJ-DSYKOEDSSA-N 1 0 201.270 -0.650 40 0 BBABRO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)C(N)=O ZINC000004611632 171370902 /nfs/dbraw/zinc/37/09/02/171370902.db2.gz HIXZNVCQXQTOSJ-LYFYHCNISA-N 1 0 201.270 -0.650 40 0 BBABRO CC[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH3+])C(N)=O ZINC000004762127 346607243 /nfs/dbraw/zinc/60/72/43/346607243.db2.gz MFJNBUBXDPFZAF-QYNIQEEDSA-N 1 0 201.270 -0.650 40 0 BBABRO CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)[NH3+])C(N)=O ZINC000004762133 346607615 /nfs/dbraw/zinc/60/76/15/346607615.db2.gz MFJNBUBXDPFZAF-FSDSQADBSA-N 1 0 201.270 -0.650 40 0 BBABRO CO[C@H]1O[C@@H](C[NH2+]CCO)[C@H]2OC(C)(C)O[C@H]21 ZINC000004802562 174906695 /nfs/dbraw/zinc/90/66/95/174906695.db2.gz LVXQMYQVBUKBOO-JLIMGVALSA-N 1 0 247.291 -0.540 40 0 BBABRO CO[C@H]1O[C@@H](C[NH2+]CCO)[C@@H]2OC(C)(C)O[C@@H]12 ZINC000004802563 342752299 /nfs/dbraw/zinc/75/22/99/342752299.db2.gz LVXQMYQVBUKBOO-QEYWKRMJSA-N 1 0 247.291 -0.540 40 0 BBABRO CO[C@H]1O[C@H](C[NH2+]CCO)[C@H]2OC(C)(C)O[C@H]21 ZINC000004802565 174906526 /nfs/dbraw/zinc/90/65/26/174906526.db2.gz LVXQMYQVBUKBOO-KYXWUPHJSA-N 1 0 247.291 -0.540 40 0 BBABRO CO[C@H]1O[C@H](C[NH2+]CCO)[C@@H]2OC(C)(C)O[C@@H]12 ZINC000004802566 342752362 /nfs/dbraw/zinc/75/23/62/342752362.db2.gz LVXQMYQVBUKBOO-RGOKHQFPSA-N 1 0 247.291 -0.540 40 0 BBABRO CC1(CCSC(N)=[NH2+])C(=O)NC(=O)NC1=O ZINC000004897622 168022740 /nfs/dbraw/zinc/02/27/40/168022740.db2.gz ZPTKEODFDCOZLG-UHFFFAOYSA-N 1 0 244.276 -0.625 40 0 BBABRO COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC000004899733 173722718 /nfs/dbraw/zinc/72/27/18/173722718.db2.gz WKMFENXPTHYYIW-BQBZGAKWSA-N 1 0 200.238 -0.502 40 0 BBABRO Cc1c[n+]([O-])cc(C[n+]2ccccc2)[n+]1[O-] ZINC000004901066 177637821 /nfs/dbraw/zinc/63/78/21/177637821.db2.gz NEXVHSFJHTWFFG-UHFFFAOYSA-N 1 0 218.236 -0.402 40 0 BBABRO O=C(C[NH2+]C[C@H]1CCCO1)N1CCOCC1 ZINC000004969133 181979259 /nfs/dbraw/zinc/97/92/59/181979259.db2.gz YBIWMVPCKZDFKO-SNVBAGLBSA-N 1 0 228.292 -0.386 40 0 BBABRO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCOCC1 ZINC000004969134 346258114 /nfs/dbraw/zinc/25/81/14/346258114.db2.gz YBIWMVPCKZDFKO-JTQLQIEISA-N 1 0 228.292 -0.386 40 0 BBABRO COCCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000004969138 174321498 /nfs/dbraw/zinc/32/14/98/174321498.db2.gz MAOSIRCVWKPVNS-VIFPVBQESA-N 1 0 216.281 -0.482 40 0 BBABRO COCCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000004969140 174321549 /nfs/dbraw/zinc/32/15/49/174321549.db2.gz MAOSIRCVWKPVNS-SECBINFHSA-N 1 0 216.281 -0.482 40 0 BBABRO C[C@H](NCCC[NH+](C)C)C(=O)N1CCOCC1 ZINC000004969420 176843755 /nfs/dbraw/zinc/84/37/55/176843755.db2.gz GBPPCRGDABGDTI-NSHDSACASA-N 1 0 243.351 -0.225 40 0 BBABRO C[C@@H](NCCC[NH+](C)C)C(=O)N1CCOCC1 ZINC000004969422 385181367 /nfs/dbraw/zinc/18/13/67/385181367.db2.gz GBPPCRGDABGDTI-LLVKDONJSA-N 1 0 243.351 -0.225 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CCOCCOCCOCC1 ZINC000005004266 176746722 /nfs/dbraw/zinc/74/67/22/176746722.db2.gz RDRHTDLXBYOQQM-JTQLQIEISA-N 1 0 246.307 -0.774 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1CCOCCOCCOCC1 ZINC000005004283 342756224 /nfs/dbraw/zinc/75/62/24/342756224.db2.gz RDRHTDLXBYOQQM-SNVBAGLBSA-N 1 0 246.307 -0.774 40 0 BBABRO [NH3+]CCN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@H]2C1=O ZINC000005217555 181391585 /nfs/dbraw/zinc/39/15/85/181391585.db2.gz BGNPGFWQLGZJPW-ULAWRXDQSA-N 1 0 210.233 -0.893 40 0 BBABRO [NH3+]CCN1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1=O ZINC000005217557 181391523 /nfs/dbraw/zinc/39/15/23/181391523.db2.gz BGNPGFWQLGZJPW-KVFPUHGPSA-N 1 0 210.233 -0.893 40 0 BBABRO N=C1NC(=O)C(CSC(N)=[NH2+])S1 ZINC000005369086 181191927 /nfs/dbraw/zinc/19/19/27/181191927.db2.gz BSXBWLNKVAVZKU-UWTATZPHSA-N 1 0 204.280 -0.221 40 0 BBABRO N=C1NC(=O)C(CSC(N)=[NH2+])S1 ZINC000005369125 181192780 /nfs/dbraw/zinc/19/27/80/181192780.db2.gz BSXBWLNKVAVZKU-REOHCLBHSA-N 1 0 204.280 -0.221 40 0 BBABRO O=C1NC(=O)[C@H](C23CC[NH+](CC2)CC3)N1 ZINC000005572680 342766332 /nfs/dbraw/zinc/76/63/32/342766332.db2.gz AVFLVOSKWMDKQI-SSDOTTSWSA-N 1 0 209.249 -0.320 40 0 BBABRO CC(C)CCNC(=O)C(=O)NCC[NH+](C)C ZINC000006325536 346647816 /nfs/dbraw/zinc/64/78/16/346647816.db2.gz FOSNRUFYIKAQIC-UHFFFAOYSA-N 1 0 229.324 -0.174 40 0 BBABRO CC(C)CNC(=O)C(=O)NCCC[NH+](C)C ZINC000006326203 346648930 /nfs/dbraw/zinc/64/89/30/346648930.db2.gz DKDFJOVJXKOYKQ-UHFFFAOYSA-N 1 0 229.324 -0.174 40 0 BBABRO CC(C)NC(=O)C(=O)NCCC[NH+](C)C ZINC000006327626 346648400 /nfs/dbraw/zinc/64/84/00/346648400.db2.gz ZIEVVBQAXYWXPG-UHFFFAOYSA-N 1 0 215.297 -0.421 40 0 BBABRO CCOC(=O)[C@@](C)(NC(=O)C[NH3+])C1CC1 ZINC000006403553 170261220 /nfs/dbraw/zinc/26/12/20/170261220.db2.gz WQIXVKHRIDKXON-JTQLQIEISA-N 1 0 214.265 -0.207 40 0 BBABRO CN(C)c1ncnc2c1ncn2C[C@H](O)C[NH3+] ZINC000006437303 342778094 /nfs/dbraw/zinc/77/80/94/342778094.db2.gz NMAISKFWACZSSO-SSDOTTSWSA-N 1 0 236.279 -0.788 40 0 BBABRO CCCCNC(=O)C(=O)NCCC[NH+](C)C ZINC000006647996 346652488 /nfs/dbraw/zinc/65/24/88/346652488.db2.gz UKTWQTUQHQWIGP-UHFFFAOYSA-N 1 0 229.324 -0.029 40 0 BBABRO CCCCNC(=O)C(=O)NCC[NH+](C)C ZINC000006648000 346652627 /nfs/dbraw/zinc/65/26/27/346652627.db2.gz ASXUSGSJDSVATP-UHFFFAOYSA-N 1 0 215.297 -0.420 40 0 BBABRO CCCNC(=O)C(=O)NCCC[NH+](C)C ZINC000006879523 346656464 /nfs/dbraw/zinc/65/64/64/346656464.db2.gz KZHUGXQRQQTPSZ-UHFFFAOYSA-N 1 0 215.297 -0.420 40 0 BBABRO CCNC(=O)C(=O)NCCC[NH+](C)C ZINC000006953997 346656109 /nfs/dbraw/zinc/65/61/09/346656109.db2.gz SRNSGUCMWVREIG-UHFFFAOYSA-N 1 0 201.270 -0.810 40 0 BBABRO CC[C@@H](C)NC(=O)C(=O)NCCC[NH+](C)C ZINC000007070194 346658408 /nfs/dbraw/zinc/65/84/08/346658408.db2.gz SHTJHJQHKHARKV-SECBINFHSA-N 1 0 229.324 -0.031 40 0 BBABRO CC[C@H](C)NC(=O)C(=O)NCCC[NH+](C)C ZINC000007076979 536149515 /nfs/dbraw/zinc/14/95/15/536149515.db2.gz SHTJHJQHKHARKV-VIFPVBQESA-N 1 0 229.324 -0.031 40 0 BBABRO COCCCNC(=O)C(=O)NCCC[NH+](C)C ZINC000008091115 174236054 /nfs/dbraw/zinc/23/60/54/174236054.db2.gz ATJAHZMBEMEEIG-UHFFFAOYSA-N 1 0 245.323 -0.793 40 0 BBABRO C[NH+](C)CCNC(=O)C(=O)NCc1ccccc1 ZINC000008091157 385232922 /nfs/dbraw/zinc/23/29/22/385232922.db2.gz DFLAQIMJXUXTCG-UHFFFAOYSA-N 1 0 249.314 -0.019 40 0 BBABRO NNc1nc[nH+]c(NN)c1Br ZINC000008615713 384205992 /nfs/dbraw/zinc/20/59/92/384205992.db2.gz QALCZKQGOBCQCW-UHFFFAOYSA-N 1 0 219.046 -0.190 40 0 BBABRO NC(=[NH2+])n1c(N)nc2ccccc2c1=O ZINC000008652230 411975152 /nfs/dbraw/zinc/97/51/52/411975152.db2.gz KHMFDNNLZITWIJ-UHFFFAOYSA-N 1 0 203.205 -0.280 40 0 BBABRO CC(=O)N1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000011754378 343771785 /nfs/dbraw/zinc/77/17/85/343771785.db2.gz INOLZWXQSJUKAG-JTQLQIEISA-N 1 0 225.292 -0.571 40 0 BBABRO CCOC(=O)N1CCN(C(=O)CC[NH3+])CC1 ZINC000011755220 170239478 /nfs/dbraw/zinc/23/94/78/170239478.db2.gz CDIAAURPXYJIFP-UHFFFAOYSA-N 1 0 229.280 -0.364 40 0 BBABRO COCCNC(=O)[C@@H]([NH3+])CCSC ZINC000011949703 174325558 /nfs/dbraw/zinc/32/55/58/174325558.db2.gz BDRIAZJKJFDZEB-ZETCQYMHSA-N 1 0 206.311 -0.171 40 0 BBABRO [NH3+]CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000011957082 181349684 /nfs/dbraw/zinc/34/96/84/181349684.db2.gz BYVLIZXLQMEPDK-UHFFFAOYSA-N 1 0 237.259 -0.477 40 0 BBABRO [NH3+]CC(=O)N1CCN(c2ncccn2)CC1 ZINC000011957089 132321031 /nfs/dbraw/zinc/32/10/31/132321031.db2.gz GXCLAVHQLLWTRT-UHFFFAOYSA-N 1 0 221.264 -0.916 40 0 BBABRO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000011957916 170240238 /nfs/dbraw/zinc/24/02/38/170240238.db2.gz WRBVCOALAPDOKX-QMMMGPOBSA-N 1 0 229.280 -0.366 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CCN(c2ncccn2)CC1 ZINC000011957960 132321078 /nfs/dbraw/zinc/32/10/78/132321078.db2.gz BNZRVIDOYMLKGW-VIFPVBQESA-N 1 0 235.291 -0.528 40 0 BBABRO CC(=O)N1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000011958343 187414819 /nfs/dbraw/zinc/41/48/19/187414819.db2.gz XPLCOIIDOSWMEV-JTQLQIEISA-N 1 0 227.308 -0.340 40 0 BBABRO CSc1nnc([C@@H]2C[C@@H](O)C[NH2+]2)n1C ZINC000012113576 342846744 /nfs/dbraw/zinc/84/67/44/342846744.db2.gz MCRSYZHNGPQWRI-RITPCOANSA-N 1 0 214.294 -0.068 40 0 BBABRO CSc1nnc([C@H]2C[C@@H](O)C[NH2+]2)n1C ZINC000012113577 342846722 /nfs/dbraw/zinc/84/67/22/342846722.db2.gz MCRSYZHNGPQWRI-PHDIDXHHSA-N 1 0 214.294 -0.068 40 0 BBABRO CSc1nnc([C@@H]2C[C@H](O)C[NH2+]2)n1C ZINC000012113578 342846662 /nfs/dbraw/zinc/84/66/62/342846662.db2.gz MCRSYZHNGPQWRI-WDSKDSINSA-N 1 0 214.294 -0.068 40 0 BBABRO CSc1nnc([C@H]2C[C@H](O)C[NH2+]2)n1C ZINC000012113579 342846729 /nfs/dbraw/zinc/84/67/29/342846729.db2.gz MCRSYZHNGPQWRI-NTSWFWBYSA-N 1 0 214.294 -0.068 40 0 BBABRO [NH3+][C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCCCC2)[C@H]1O ZINC000012529619 351924099 /nfs/dbraw/zinc/92/40/99/351924099.db2.gz LSGIJENCKWZHBZ-MVCUBJFGSA-N 1 0 228.292 -0.716 40 0 biogenic,in-vitro BBABRO CCOC(=O)[C@@H]1C(=O)N2CCCC[C@H]2[C@@H]1[NH3+] ZINC000012650400 170256916 /nfs/dbraw/zinc/25/69/16/170256916.db2.gz TTYRELSLCVFSGM-CIUDSAMLSA-N 1 0 226.276 -0.112 40 0 BBABRO CCOC(=O)[C@@H]1C(=O)N2CCCC[C@H]2[C@H]1[NH3+] ZINC000012650408 170256839 /nfs/dbraw/zinc/25/68/39/170256839.db2.gz TTYRELSLCVFSGM-XHNCKOQMSA-N 1 0 226.276 -0.112 40 0 BBABRO C[C@H]([NH3+])Cn1nnn(-c2ccco2)c1=O ZINC000013566567 397845387 /nfs/dbraw/zinc/84/53/87/397845387.db2.gz TXUDLFMNFLLSOL-LURJTMIESA-N 1 0 209.209 -0.631 40 0 BBABRO [NH3+]CCn1nnn(-c2cccs2)c1=O ZINC000013566707 384483433 /nfs/dbraw/zinc/48/34/33/384483433.db2.gz CZDUWXOLAMNXJA-UHFFFAOYSA-N 1 0 211.250 -0.551 40 0 BBABRO C[NH+](C)CCCn1c(N)cc(=O)[nH]c1=O ZINC000013639025 384369360 /nfs/dbraw/zinc/36/93/60/384369360.db2.gz NWAZASLLYSNZAH-UHFFFAOYSA-N 1 0 212.253 -0.930 40 0 BBABRO C[NH+](C)CCOCCOCCOCCO ZINC000016163160 342907608 /nfs/dbraw/zinc/90/76/08/342907608.db2.gz WAPFDAOLMRKKHL-UHFFFAOYSA-N 1 0 221.297 -0.410 40 0 BBABRO OC1Cn2cc(Br)c[n+]2C1 ZINC000017417450 183032156 /nfs/dbraw/zinc/03/21/56/183032156.db2.gz VMISMJZLNZYZTD-UHFFFAOYSA-N 1 0 204.047 -0.087 40 0 BBABRO Cc1ccc(=O)n(CC2(O)CC[NH2+]CC2)n1 ZINC000019131394 178361228 /nfs/dbraw/zinc/36/12/28/178361228.db2.gz ZBQBIJFCHBKRAI-UHFFFAOYSA-N 1 0 223.276 -0.334 40 0 BBABRO Cc1nc2c(nnn2C[C@@H]2CCC[NH2+]C2)c(=O)[nH]1 ZINC000019286472 384516083 /nfs/dbraw/zinc/51/60/83/384516083.db2.gz QQEOIFLGJODMGQ-MRVPVSSYSA-N 1 0 248.290 -0.177 40 0 BBABRO Cc1nc2c(nnn2C[C@H]2CCC[NH2+]C2)c(=O)[nH]1 ZINC000019286510 384516776 /nfs/dbraw/zinc/51/67/76/384516776.db2.gz QQEOIFLGJODMGQ-QMMMGPOBSA-N 1 0 248.290 -0.177 40 0 BBABRO CC(C)C[NH2+]C12CN3CN(CN(C3)C1)C2 ZINC000019319032 167002929 /nfs/dbraw/zinc/00/29/29/167002929.db2.gz ZEOVOTIZJBWUMZ-UHFFFAOYSA-N 1 0 210.325 -0.210 40 0 BBABRO CCN(CCO)CC[N@H+](CC)CCO ZINC000019365084 384515609 /nfs/dbraw/zinc/51/56/09/384515609.db2.gz LBKQJGBYHPBRDC-UHFFFAOYSA-N 1 0 204.314 -0.385 40 0 BBABRO [NH3+]C[C@]1(N2CCOCC2)[C@H]2CCC[C@]21CO ZINC000019365312 388739521 /nfs/dbraw/zinc/73/95/21/388739521.db2.gz FPINOPAJUVXPQB-SRVKXCTJSA-N 1 0 226.320 -0.192 40 0 BBABRO CC[C@@H](C)COC[C@H](O)CNCC[NH3+] ZINC000019368976 347322583 /nfs/dbraw/zinc/32/25/83/347322583.db2.gz YQXQPSOIDVKPBR-NXEZZACHSA-N 1 0 204.314 -0.042 40 0 BBABRO CC[C@H](C)COC[C@H](O)CNCC[NH3+] ZINC000019368978 171289404 /nfs/dbraw/zinc/28/94/04/171289404.db2.gz YQXQPSOIDVKPBR-VHSXEESVSA-N 1 0 204.314 -0.042 40 0 BBABRO CC[C@@H](C)COC[C@@H](O)CNCC[NH3+] ZINC000019368980 347322544 /nfs/dbraw/zinc/32/25/44/347322544.db2.gz YQXQPSOIDVKPBR-ZJUUUORDSA-N 1 0 204.314 -0.042 40 0 BBABRO CC[C@H](C)COC[C@@H](O)CNCC[NH3+] ZINC000019368982 171288808 /nfs/dbraw/zinc/28/88/08/171288808.db2.gz YQXQPSOIDVKPBR-UWVGGRQHSA-N 1 0 204.314 -0.042 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1CCN(c2ncccn2)CC1 ZINC000019423114 132324882 /nfs/dbraw/zinc/32/48/82/132324882.db2.gz BNZRVIDOYMLKGW-SECBINFHSA-N 1 0 235.291 -0.528 40 0 BBABRO C[NH2+]CC(=O)N1CCN(c2ncccn2)CC1 ZINC000019430989 132324929 /nfs/dbraw/zinc/32/49/29/132324929.db2.gz ATJXLMFDTNLFJO-UHFFFAOYSA-N 1 0 235.291 -0.655 40 0 BBABRO O=C(c1ccc[nH]c1=O)N1CC[NH2+]CC1 ZINC000019436522 343773734 /nfs/dbraw/zinc/77/37/34/343773734.db2.gz FVNYLUVTEGXHBF-UHFFFAOYSA-N 1 0 207.233 -0.580 40 0 BBABRO CC(=O)N1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000019480941 343774043 /nfs/dbraw/zinc/77/40/43/343774043.db2.gz MGFUOJIMORIPDS-NSHDSACASA-N 1 0 239.319 -0.181 40 0 BBABRO CC(=O)N1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000019480943 343773856 /nfs/dbraw/zinc/77/38/56/343773856.db2.gz MGFUOJIMORIPDS-LLVKDONJSA-N 1 0 239.319 -0.181 40 0 BBABRO [NH3+]C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000019486168 181345086 /nfs/dbraw/zinc/34/50/86/181345086.db2.gz ZYCULZOUNAXJAN-SECBINFHSA-N 1 0 218.322 -0.403 40 0 BBABRO [NH3+]C1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000019486170 181345198 /nfs/dbraw/zinc/34/51/98/181345198.db2.gz ZYCULZOUNAXJAN-VIFPVBQESA-N 1 0 218.322 -0.403 40 0 BBABRO C[NH2+]CC(=O)N1CCN(c2ccccn2)CC1 ZINC000019487918 132249665 /nfs/dbraw/zinc/24/96/65/132249665.db2.gz QCQHLJDPVPZRHP-UHFFFAOYSA-N 1 0 234.303 -0.050 40 0 BBABRO CC(=O)N1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000019502986 187370244 /nfs/dbraw/zinc/37/02/44/187370244.db2.gz NQWTXMOBMZJHQE-LLVKDONJSA-N 1 0 239.319 -0.323 40 0 BBABRO CC(=O)N1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000019502988 343774007 /nfs/dbraw/zinc/77/40/07/343774007.db2.gz NQWTXMOBMZJHQE-NSHDSACASA-N 1 0 239.319 -0.323 40 0 BBABRO Cc1cc(C(=O)N2CC[NH2+]CC2)nn1C ZINC000019673334 343774036 /nfs/dbraw/zinc/77/40/36/343774036.db2.gz LPKSZMBPJFXDDR-UHFFFAOYSA-N 1 0 208.265 -0.226 40 0 BBABRO [NH3+]CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000019676993 181350300 /nfs/dbraw/zinc/35/03/00/181350300.db2.gz QHQYPZHKWWVZMF-UHFFFAOYSA-N 1 0 211.265 -0.974 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000019677106 343773820 /nfs/dbraw/zinc/77/38/20/343773820.db2.gz HJHWAXCERPMTQQ-QMMMGPOBSA-N 1 0 225.292 -0.586 40 0 BBABRO [NH3+]CCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000019677430 181366854 /nfs/dbraw/zinc/36/68/54/181366854.db2.gz TWOBSIXTAWQZNA-UHFFFAOYSA-N 1 0 225.292 -0.584 40 0 BBABRO CC(=O)N1CCC(N2CC[NH2+]CC2)CC1 ZINC000019677620 188281772 /nfs/dbraw/zinc/28/17/72/188281772.db2.gz YLSCRMCFQYFXIN-UHFFFAOYSA-N 1 0 211.309 -0.098 40 0 BBABRO CS(=O)(=O)N1CCN(C2CC[NH2+]CC2)CC1 ZINC000019677941 384531755 /nfs/dbraw/zinc/53/17/55/384531755.db2.gz VDJHGFDEATWMLP-UHFFFAOYSA-N 1 0 247.364 -0.684 40 0 BBABRO CCn1cc(NC(=O)[C@@H]2C[NH2+]CCO2)cn1 ZINC000019686190 172181940 /nfs/dbraw/zinc/18/19/40/172181940.db2.gz LKRMSAWXFDIQJV-VIFPVBQESA-N 1 0 224.264 -0.170 40 0 BBABRO CCn1cc(NC(=O)[C@H]2C[NH2+]CCO2)cn1 ZINC000019686192 172184002 /nfs/dbraw/zinc/18/40/02/172184002.db2.gz LKRMSAWXFDIQJV-SECBINFHSA-N 1 0 224.264 -0.170 40 0 BBABRO NC(=O)C1CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC000019686353 181217397 /nfs/dbraw/zinc/21/73/97/181217397.db2.gz HXTJNQBGDPALDF-SNVBAGLBSA-N 1 0 211.309 -0.064 40 0 BBABRO NC(=O)C1CCN([C@H]2CCC[NH2+]C2)CC1 ZINC000019686355 181218122 /nfs/dbraw/zinc/21/81/22/181218122.db2.gz HXTJNQBGDPALDF-JTQLQIEISA-N 1 0 211.309 -0.064 40 0 BBABRO Cc1n[nH]c(C)c1CNC(=O)C1C[NH2+]C1 ZINC000019686384 368319598 /nfs/dbraw/zinc/31/95/98/368319598.db2.gz FCWFFHOVNXTQHM-UHFFFAOYSA-N 1 0 208.265 -0.138 40 0 BBABRO C[C@@]1(C(=O)N2CCOCC2)C[NH2+]CCO1 ZINC000019686432 342953594 /nfs/dbraw/zinc/95/35/94/342953594.db2.gz ZGHCVEVFDLYNES-JTQLQIEISA-N 1 0 214.265 -0.776 40 0 BBABRO C[C@]1(C(=O)N2CCOCC2)C[NH2+]CCO1 ZINC000019686434 384531935 /nfs/dbraw/zinc/53/19/35/384531935.db2.gz ZGHCVEVFDLYNES-SNVBAGLBSA-N 1 0 214.265 -0.776 40 0 BBABRO Cc1n[nH]c(C)c1CCNC(=O)C1C[NH2+]C1 ZINC000019686466 384532038 /nfs/dbraw/zinc/53/20/38/384532038.db2.gz IHYXUESQHUDONT-UHFFFAOYSA-N 1 0 222.292 -0.095 40 0 BBABRO [NH3+]C[C@@H]1CN(c2ccccc2)S(=O)(=O)N1 ZINC000019724052 385297630 /nfs/dbraw/zinc/29/76/30/385297630.db2.gz HKKJMBGHOUYJDJ-MRVPVSSYSA-N 1 0 227.289 -0.332 40 0 BBABRO [NH3+]C[C@H]1CN(c2ccccc2)S(=O)(=O)N1 ZINC000019724053 181467057 /nfs/dbraw/zinc/46/70/57/181467057.db2.gz HKKJMBGHOUYJDJ-QMMMGPOBSA-N 1 0 227.289 -0.332 40 0 BBABRO Cc1nnsc1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000019746261 384538129 /nfs/dbraw/zinc/53/81/29/384538129.db2.gz QVJNHRXXPOOTPY-ZETCQYMHSA-N 1 0 242.304 -0.549 40 0 BBABRO Cc1nnsc1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000019746262 384538433 /nfs/dbraw/zinc/53/84/33/384538433.db2.gz QVJNHRXXPOOTPY-SSDOTTSWSA-N 1 0 242.304 -0.549 40 0 BBABRO Cc1cccnc1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000019746417 179380218 /nfs/dbraw/zinc/38/02/18/179380218.db2.gz ZAYFBRDYWWOETA-NSHDSACASA-N 1 0 235.287 -0.005 40 0 BBABRO Cc1cccnc1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000019746418 179383028 /nfs/dbraw/zinc/38/30/28/179383028.db2.gz ZAYFBRDYWWOETA-LLVKDONJSA-N 1 0 235.287 -0.005 40 0 BBABRO O=C(CN1CC[NH2+]CC1)Nc1ccncc1 ZINC000019798393 347285858 /nfs/dbraw/zinc/28/58/58/347285858.db2.gz IMPBBXOJMXCPBK-UHFFFAOYSA-N 1 0 220.276 -0.075 40 0 BBABRO [NH3+]C[C@@H]1CCCN(CC(=O)N2CCOCC2)C1 ZINC000019843056 385297804 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/nfs/dbraw/zinc/38/10/46/181381046.db2.gz UBRUSWRBXWLJGI-LLVKDONJSA-N 1 0 241.335 -0.342 40 0 BBABRO Cc1n[nH]c(C)c1S(=O)(=O)N(C)CC[NH3+] ZINC000020183020 388449200 /nfs/dbraw/zinc/44/92/00/388449200.db2.gz OMOCGMHRSFFOIG-UHFFFAOYSA-N 1 0 232.309 -0.394 40 0 BBABRO CC(=O)N1CCC(C(=O)N2CC[NH2+]CC2)CC1 ZINC000020184289 188247870 /nfs/dbraw/zinc/24/78/70/188247870.db2.gz QGCQZWCYTDEGME-UHFFFAOYSA-N 1 0 239.319 -0.323 40 0 BBABRO CCN(CC)S(=O)(=O)N1CCC[NH2+]CC1 ZINC000020218473 169793315 /nfs/dbraw/zinc/79/33/15/169793315.db2.gz WBVFBJCNPSZMRK-UHFFFAOYSA-N 1 0 235.353 -0.132 40 0 BBABRO Cc1nnsc1C(=O)N1CC[NH2+]CC1 ZINC000020248616 385297090 /nfs/dbraw/zinc/29/70/90/385297090.db2.gz YUCNUENKFBNHEQ-UHFFFAOYSA-N 1 0 212.278 -0.108 40 0 BBABRO CN(C)S(=O)(=O)N1CCC([NH3+])CC1 ZINC000020257512 352645145 /nfs/dbraw/zinc/64/51/45/352645145.db2.gz KRNZYSPSPXSKJH-UHFFFAOYSA-N 1 0 207.299 -0.784 40 0 BBABRO O=c1[nH]c(N2CC[NH2+]CC2)nc2c1CCC2 ZINC000020394144 132284410 /nfs/dbraw/zinc/28/44/10/132284410.db2.gz NXDIKDUCBPMGDA-UHFFFAOYSA-N 1 0 220.276 -0.332 40 0 BBABRO CN(C)C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCCC1 ZINC000020465059 388771808 /nfs/dbraw/zinc/77/18/08/388771808.db2.gz ZGMJCSLFRXGNDQ-NOOOWODRSA-N 1 0 244.335 -0.867 40 0 biogenic,in-vitro BBABRO O=C(C(=O)N1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000021299830 385859945 /nfs/dbraw/zinc/85/99/45/385859945.db2.gz LRPKXMKSLQMFAY-QMMMGPOBSA-N 1 0 212.249 -0.834 40 0 BBABRO O=C(C(=O)N1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000021299835 385860180 /nfs/dbraw/zinc/86/01/80/385860180.db2.gz LRPKXMKSLQMFAY-MRVPVSSYSA-N 1 0 212.249 -0.834 40 0 BBABRO COC(=O)CCN1CC[N@H+](CCO)C[C@H]1C ZINC000022038866 343037561 /nfs/dbraw/zinc/03/75/61/343037561.db2.gz UVEJQVMATQJGOG-SNVBAGLBSA-N 1 0 230.308 -0.452 40 0 BBABRO C[NH+](C)C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O ZINC000022115797 384734050 /nfs/dbraw/zinc/73/40/50/384734050.db2.gz BOALFOBKOFTNSP-BZNPZCIMSA-N 1 0 217.265 -0.215 40 0 BBABRO COC(=O)C[C@@H]1CSC(NC(N)=[NH2+])=NC1=O ZINC000022126998 343040697 /nfs/dbraw/zinc/04/06/97/343040697.db2.gz MRPFWRYJJFEKDN-SCSAIBSYSA-N 1 0 244.276 -0.722 40 0 BBABRO COC(=O)C[C@H]1CSC(NC(N)=[NH2+])=NC1=O ZINC000022127001 343040790 /nfs/dbraw/zinc/04/07/90/343040790.db2.gz MRPFWRYJJFEKDN-BYPYZUCNSA-N 1 0 244.276 -0.722 40 0 BBABRO Cc1cnc(C(=O)N2CC[NH2+]CC2)cn1 ZINC000022216407 357063797 /nfs/dbraw/zinc/06/37/97/357063797.db2.gz OTRSGFGYQLVCBQ-UHFFFAOYSA-N 1 0 206.249 -0.170 40 0 BBABRO CC(C)OC[C@H](O)C[NH+]1CCN(CCO)CC1 ZINC000022461788 167269093 /nfs/dbraw/zinc/26/90/93/167269093.db2.gz WBNJTDPCGQESBM-GFCCVEGCSA-N 1 0 246.351 -0.618 40 0 BBABRO CC(C)OC[C@@H](O)C[NH+]1CCN(CCO)CC1 ZINC000022461794 167262677 /nfs/dbraw/zinc/26/26/77/167262677.db2.gz WBNJTDPCGQESBM-LBPRGKRZSA-N 1 0 246.351 -0.618 40 0 BBABRO C[C@@H](O)CN1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000022577531 343051844 /nfs/dbraw/zinc/05/18/44/343051844.db2.gz GPXSTLAIBOEFST-GMTAPVOTSA-N 1 0 216.325 -0.246 40 0 BBABRO c1cc2nc(c1)CNCC[NH2+]CCNC2 ZINC000022579965 183377391 /nfs/dbraw/zinc/37/73/91/183377391.db2.gz LNMUPMQUMCDOKO-UHFFFAOYSA-N 1 0 206.293 -0.136 40 0 BBABRO CC(C)[C@@H]1N[C@@H](O)[C@H](C(C)C)[NH2+][C@H]1O ZINC000022584121 188283011 /nfs/dbraw/zinc/28/30/11/188283011.db2.gz HAISJRNRDKAUQG-XKNYDFJKSA-N 1 0 202.298 -0.135 40 0 BBABRO CC(C)[C@@H]1N[C@H](O)[C@H](C(C)C)[NH2+][C@@H]1O ZINC000022584125 384764994 /nfs/dbraw/zinc/76/49/94/384764994.db2.gz HAISJRNRDKAUQG-AXTSPUMRSA-N 1 0 202.298 -0.135 40 0 BBABRO C[C@H]([NH2+]CCN(C)C)C(=O)NC[C@@H]1CCCO1 ZINC000022586176 384468853 /nfs/dbraw/zinc/46/88/53/384468853.db2.gz HLVMXTGHDWAPDL-QWRGUYRKSA-N 1 0 243.351 -0.179 40 0 BBABRO C[C@@H]([NH2+]CCN(C)C)C(=O)NC[C@@H]1CCCO1 ZINC000022586180 384467554 /nfs/dbraw/zinc/46/75/54/384467554.db2.gz HLVMXTGHDWAPDL-MNOVXSKESA-N 1 0 243.351 -0.179 40 0 BBABRO C[C@H]([NH2+]CCN(C)C)C(=O)NC[C@H]1CCCO1 ZINC000022586184 384466636 /nfs/dbraw/zinc/46/66/36/384466636.db2.gz HLVMXTGHDWAPDL-WDEREUQCSA-N 1 0 243.351 -0.179 40 0 BBABRO C[C@@H]([NH2+]CCN(C)C)C(=O)NC[C@H]1CCCO1 ZINC000022586187 384468547 /nfs/dbraw/zinc/46/85/47/384468547.db2.gz HLVMXTGHDWAPDL-GHMZBOCLSA-N 1 0 243.351 -0.179 40 0 BBABRO [NH3+]CCN1CCC[C@@H]1CN1CCOCC1 ZINC000022763091 181392161 /nfs/dbraw/zinc/39/21/61/181392161.db2.gz KVLOIOLGQIVDJN-LLVKDONJSA-N 1 0 213.325 -0.258 40 0 BBABRO [NH3+]CCN1CCC[C@H]1CN1CCOCC1 ZINC000022763096 181392073 /nfs/dbraw/zinc/39/20/73/181392073.db2.gz KVLOIOLGQIVDJN-NSHDSACASA-N 1 0 213.325 -0.258 40 0 BBABRO CC1(C)C[C@]2(CCO1)CN(CC(N)=O)CC[NH2+]2 ZINC000022801585 188357144 /nfs/dbraw/zinc/35/71/44/188357144.db2.gz VYURAKRUSJEHTB-GFCCVEGCSA-N 1 0 241.335 -0.295 40 0 BBABRO NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000022873212 181283540 /nfs/dbraw/zinc/28/35/40/181283540.db2.gz WGIWJDQRXFTODM-LLVKDONJSA-N 1 0 219.288 -0.054 40 0 BBABRO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000022873227 181272255 /nfs/dbraw/zinc/27/22/55/181272255.db2.gz WGIWJDQRXFTODM-NSHDSACASA-N 1 0 219.288 -0.054 40 0 BBABRO C[NH+]1CCN(CCCNS(C)(=O)=O)CC1 ZINC000022935237 173080473 /nfs/dbraw/zinc/08/04/73/173080473.db2.gz JOVDDPLHWPGERB-UHFFFAOYSA-N 1 0 235.353 -0.827 40 0 BBABRO CC(C)[C@@H]1N[C@H](O)[C@H](C(C)C)[NH2+][C@H]1O ZINC000022937024 384780339 /nfs/dbraw/zinc/78/03/39/384780339.db2.gz HAISJRNRDKAUQG-AATLWQCWSA-N 1 0 202.298 -0.135 40 0 BBABRO O=C(CN1CC[NH2+]CC1)NCc1ccco1 ZINC000023292090 343063119 /nfs/dbraw/zinc/06/31/19/343063119.db2.gz SASDTLQZONCWBJ-UHFFFAOYSA-N 1 0 223.276 -0.199 40 0 BBABRO [NH3+]CCn1ncc2c1ncnc2N1CCOCC1 ZINC000026421594 132333634 /nfs/dbraw/zinc/33/36/34/132333634.db2.gz GVSWYHWDRJZNQN-UHFFFAOYSA-N 1 0 248.290 -0.378 40 0 BBABRO CC(C)NC(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000028659815 167052890 /nfs/dbraw/zinc/05/28/90/167052890.db2.gz NGAJQKCTVFXKEW-SECBINFHSA-N 1 0 200.282 -0.032 40 0 BBABRO CC(C)NC(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000028659817 167052529 /nfs/dbraw/zinc/05/25/29/167052529.db2.gz NGAJQKCTVFXKEW-VIFPVBQESA-N 1 0 200.282 -0.032 40 0 BBABRO CC(=O)OCCN1CCN(C(C)=O)CC1 ZINC000031624086 386235553 /nfs/dbraw/zinc/23/55/53/386235553.db2.gz MYWATFAHYBDXPA-UHFFFAOYSA-N 1 0 214.265 -0.286 40 0 BBABRO C1CN2C3=NCCN3C3=[NH+]CCN3C2=N1 ZINC000031636883 343222146 /nfs/dbraw/zinc/22/21/46/343222146.db2.gz KEJXVKYIGLPAHX-UHFFFAOYSA-N 1 0 204.237 -0.985 40 0 BBABRO OCCSC(=S)N1CC[NH2+]CC1 ZINC000031637565 183088441 /nfs/dbraw/zinc/08/84/41/183088441.db2.gz KLALNGCAKOCKCC-UHFFFAOYSA-N 1 0 206.336 -0.098 40 0 BBABRO [NH3+][C@H]1CCCN([C@@H]2CCS(=O)(=O)C2)C1 ZINC000031996618 343227829 /nfs/dbraw/zinc/22/78/29/343227829.db2.gz ULMFNSUIXVUPDM-DTWKUNHWSA-N 1 0 218.322 -0.403 40 0 BBABRO [NH3+][C@H]1CCCN([C@H]2CCS(=O)(=O)C2)C1 ZINC000031996622 181645186 /nfs/dbraw/zinc/64/51/86/181645186.db2.gz ULMFNSUIXVUPDM-IUCAKERBSA-N 1 0 218.322 -0.403 40 0 BBABRO O=C(c1ccc(=O)[nH]n1)N1CC[NH2+]CC1 ZINC000032021218 343779703 /nfs/dbraw/zinc/77/97/03/343779703.db2.gz KZPOLTCFLSUKBR-UHFFFAOYSA-N 1 0 208.221 -0.772 40 0 BBABRO [NH3+]C1CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000032026892 181343649 /nfs/dbraw/zinc/34/36/49/181343649.db2.gz USOHHVRFIVDZGV-UHFFFAOYSA-N 1 0 222.248 -0.255 40 0 BBABRO CC(C)(C)OC(=O)NCCNC(=O)C[NH3+] ZINC000032501149 384997399 /nfs/dbraw/zinc/99/73/99/384997399.db2.gz JTXNBJZNGMAVNX-UHFFFAOYSA-N 1 0 217.269 -0.414 40 0 BBABRO CC(C)(C)OC(=O)NCC(=O)NCC[NH3+] ZINC000032501150 385982788 /nfs/dbraw/zinc/98/27/88/385982788.db2.gz MXVFHGWEBGKPEU-UHFFFAOYSA-N 1 0 217.269 -0.414 40 0 BBABRO CCOC(=O)CC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000032501431 170210286 /nfs/dbraw/zinc/21/02/86/170210286.db2.gz HFMMPIPOHYXYOC-MRVPVSSYSA-N 1 0 235.305 -0.284 40 0 BBABRO CCOC(=O)CC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000032501432 170210168 /nfs/dbraw/zinc/21/01/68/170210168.db2.gz HFMMPIPOHYXYOC-QMMMGPOBSA-N 1 0 235.305 -0.284 40 0 BBABRO [NH3+][C@@H]1CCN([C@@H]2CCS(=O)(=O)C2)C1 ZINC000033426893 343780253 /nfs/dbraw/zinc/78/02/53/343780253.db2.gz OBXMCPFFACYMOY-HTQZYQBOSA-N 1 0 204.295 -0.794 40 0 BBABRO [NH3+][C@H]1CCN([C@@H]2CCS(=O)(=O)C2)C1 ZINC000033426894 343779986 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COCCNC(=O)[C@H]([NH3+])CCSC ZINC000062725408 174327503 /nfs/dbraw/zinc/32/75/03/174327503.db2.gz BDRIAZJKJFDZEB-SSDOTTSWSA-N 1 0 206.311 -0.171 40 0 BBABRO CSCC[C@@H]([NH3+])C(=O)N1CCN(C)CC1 ZINC000062725419 388655613 /nfs/dbraw/zinc/65/56/13/388655613.db2.gz YRWRWSRUJFGGSS-SECBINFHSA-N 1 0 231.365 -0.159 40 0 BBABRO [NH3+]Cc1cnn(CC(=O)N2CCCC2)c1 ZINC000063169602 181494629 /nfs/dbraw/zinc/49/46/29/181494629.db2.gz FJFKFIBHDYBFKA-UHFFFAOYSA-N 1 0 208.265 -0.036 40 0 BBABRO COCCn1nc2c(cc1=O)C[NH2+]CC2 ZINC000063169772 386541225 /nfs/dbraw/zinc/54/12/25/386541225.db2.gz MQSFEMYQUQPEGN-UHFFFAOYSA-N 1 0 209.249 -0.465 40 0 BBABRO COC(=O)c1cc2c([nH]c1=O)CC[NH2+]C2 ZINC000064033516 385242817 /nfs/dbraw/zinc/24/28/17/385242817.db2.gz YTVZYKZWTPUAMR-UHFFFAOYSA-N 1 0 208.217 -0.193 40 0 BBABRO CC(C)[C@H](C(=O)[C@@H](C)[NH3+])[C@H]([NH3+])C(=O)[O-] ZINC000064219359 385245530 /nfs/dbraw/zinc/24/55/30/385245530.db2.gz JPNVOPOXEZGPIM-VQVTYTSYSA-N 1 0 202.254 -0.413 40 0 BBABRO CC(C)[C@@H](C(=O)[C@@H](C)[NH3+])[C@H]([NH3+])C(=O)[O-] ZINC000064219360 167346213 /nfs/dbraw/zinc/34/62/13/167346213.db2.gz JPNVOPOXEZGPIM-QYNIQEEDSA-N 1 0 202.254 -0.413 40 0 BBABRO [NH3+]CCCC(=O)O[C@H]1CC(=O)NC1=O ZINC000064219452 181374193 /nfs/dbraw/zinc/37/41/93/181374193.db2.gz SPFAQFFVZBGFPL-YFKPBYRVSA-N 1 0 200.194 -0.476 40 0 BBABRO COC(=O)[C@H](N)CCCC(=N)C(N)=[NH2+] ZINC000064219484 385245920 /nfs/dbraw/zinc/24/59/20/385245920.db2.gz UYRKRIPLQHKAQI-ZCFIWIBFSA-N 1 0 200.242 -0.387 40 0 BBABRO CC(C)(C)OC(=O)[C@H](N)COCCOCC[NH3+] ZINC000064219586 385247064 /nfs/dbraw/zinc/24/70/64/385247064.db2.gz XWABUYXLMPMDLR-SECBINFHSA-N 1 0 248.323 -0.353 40 0 BBABRO CC(C)(C)OC(=O)[C@@H](N)COCCOCC[NH3+] ZINC000064219587 385246844 /nfs/dbraw/zinc/24/68/44/385246844.db2.gz XWABUYXLMPMDLR-VIFPVBQESA-N 1 0 248.323 -0.353 40 0 BBABRO CCOC(=O)N[C@@H]1C[N+](N2CCOCC2)=NO1 ZINC000064858431 170243120 /nfs/dbraw/zinc/24/31/20/170243120.db2.gz YQEBRAPNGSXCMD-QMMMGPOBSA-O 1 0 245.259 -0.284 40 0 in-vitro BBABRO CCOC(=O)N[C@H]1C[N+](N2CCOCC2)=NO1 ZINC000064858432 170243339 /nfs/dbraw/zinc/24/33/39/170243339.db2.gz YQEBRAPNGSXCMD-MRVPVSSYSA-O 1 0 245.259 -0.284 40 0 in-vitro BBABRO C[C@H]([NH2+]C1CC1)C(=O)N1CCN(C)CC1 ZINC000064875578 370376237 /nfs/dbraw/zinc/37/62/37/370376237.db2.gz IHXKJPWXAGSROU-VIFPVBQESA-N 1 0 211.309 -0.099 40 0 BBABRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(C)CC1 ZINC000064875580 370376505 /nfs/dbraw/zinc/37/65/05/370376505.db2.gz IHXKJPWXAGSROU-SECBINFHSA-N 1 0 211.309 -0.099 40 0 BBABRO COCCNC(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC000064875601 174327802 /nfs/dbraw/zinc/32/78/02/174327802.db2.gz DQUKGIGEMKLTSM-MRVPVSSYSA-N 1 0 212.253 -0.958 40 0 BBABRO COCCNC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC000064875602 174325576 /nfs/dbraw/zinc/32/55/76/174325576.db2.gz DQUKGIGEMKLTSM-QMMMGPOBSA-N 1 0 212.253 -0.958 40 0 BBABRO O=C(N[C@@H]1CCC[NH2+]C1)N1CCOCC1 ZINC000067802636 182294040 /nfs/dbraw/zinc/29/40/40/182294040.db2.gz RWAXCPUUJPHJPM-SECBINFHSA-N 1 0 213.281 -0.220 40 0 BBABRO O=C(N[C@H]1CCC[NH2+]C1)N1CCOCC1 ZINC000067802709 182329853 /nfs/dbraw/zinc/32/98/53/182329853.db2.gz RWAXCPUUJPHJPM-VIFPVBQESA-N 1 0 213.281 -0.220 40 0 BBABRO CN1CCC([N@@H+]2C[C@H]3NC(=O)CO[C@H]3C2)CC1 ZINC000067897017 388408315 /nfs/dbraw/zinc/40/83/15/388408315.db2.gz ZPYNIAVTLDDEME-MNOVXSKESA-N 1 0 239.319 -0.720 40 0 biogenic,in-vitro BBABRO C[N@H+]1C[C@@H]2[C@H](C1)OCC(=O)N2CC1CC1 ZINC000067897108 173190241 /nfs/dbraw/zinc/19/02/41/173190241.db2.gz XDVCOFWXNMCMRC-ZJUUUORDSA-N 1 0 210.277 -0.062 40 0 biogenic,in-vitro BBABRO CN1C(=O)CO[C@H]2C[N@H+](C3CCOCC3)C[C@H]21 ZINC000067897257 388408151 /nfs/dbraw/zinc/40/81/51/388408151.db2.gz DKKPDAZGLRHNIU-MNOVXSKESA-N 1 0 240.303 -0.293 40 0 biogenic,in-vitro BBABRO CN1C(=O)CO[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000067897265 388408530 /nfs/dbraw/zinc/40/85/30/388408530.db2.gz DEGFSKBFNNCCTO-ZJUUUORDSA-N 1 0 210.277 -0.062 40 0 biogenic,in-vitro BBABRO COCCN1C(=O)CO[C@H]2C[N@@H+](C)C[C@H]21 ZINC000067897282 174304342 /nfs/dbraw/zinc/30/43/42/174304342.db2.gz CTVXMBKHEGPUCP-BDAKNGLRSA-N 1 0 214.265 -0.826 40 0 biogenic,in-vitro BBABRO COCCN1C(=O)CO[C@H]2C[N@H+](C(C)C)C[C@H]21 ZINC000067897299 174303512 /nfs/dbraw/zinc/30/35/12/174303512.db2.gz MZNVABVXGYACIF-MNOVXSKESA-N 1 0 242.319 -0.047 40 0 biogenic,in-vitro BBABRO CN(C)c1nccc(N2CC[NH2+]CC2)n1 ZINC000068576424 132390521 /nfs/dbraw/zinc/39/05/21/132390521.db2.gz QSERFXPZIOTLLW-UHFFFAOYSA-N 1 0 207.281 -0.048 40 0 BBABRO OCCN1CC[NH+](C2CCOCC2)CC1 ZINC000068958065 345779135 /nfs/dbraw/zinc/77/91/35/345779135.db2.gz QWHHWNFHXRRBFR-UHFFFAOYSA-N 1 0 214.309 -0.225 40 0 BBABRO O=S(=O)(c1c[nH]cn1)N1CCC[NH2+]CC1 ZINC000069947603 388727390 /nfs/dbraw/zinc/72/73/90/388727390.db2.gz MQXBGTHVPIXSOQ-UHFFFAOYSA-N 1 0 230.293 -0.606 40 0 BBABRO [NH3+]C1CCN(S(=O)(=O)c2c[nH]cn2)CC1 ZINC000069947606 181345308 /nfs/dbraw/zinc/34/53/08/181345308.db2.gz KCWBJKFBOCNBPP-UHFFFAOYSA-N 1 0 230.293 -0.479 40 0 BBABRO O=S(=O)(NC1CC[NH2+]CC1)c1c[nH]cn1 ZINC000069947717 384071160 /nfs/dbraw/zinc/07/11/60/384071160.db2.gz YNFATFVQVASNDN-UHFFFAOYSA-N 1 0 230.293 -0.560 40 0 BBABRO [NH3+][C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000069948315 388727378 /nfs/dbraw/zinc/72/73/78/388727378.db2.gz IAOUGMDDKWHNSB-ZETCQYMHSA-N 1 0 230.293 -0.479 40 0 BBABRO [NH3+][C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000069948317 384540157 /nfs/dbraw/zinc/54/01/57/384540157.db2.gz IAOUGMDDKWHNSB-SSDOTTSWSA-N 1 0 230.293 -0.479 40 0 BBABRO [NH3+][C@H]1CCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000069948507 370997666 /nfs/dbraw/zinc/99/76/66/370997666.db2.gz CDAPBMKIQSCHGT-LURJTMIESA-N 1 0 216.266 -0.869 40 0 BBABRO [NH3+][C@@H]1CCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000069948509 370997695 /nfs/dbraw/zinc/99/76/95/370997695.db2.gz CDAPBMKIQSCHGT-ZCFIWIBFSA-N 1 0 216.266 -0.869 40 0 BBABRO CC(C)[C@H]([NH3+])CN1C(=O)COCC1=O ZINC000070011066 343122404 /nfs/dbraw/zinc/12/24/04/343122404.db2.gz BCYIADAFHSSBFB-SSDOTTSWSA-N 1 0 200.238 -0.645 40 0 BBABRO CC(C)[C@@H]([NH3+])CN1C(=O)COCC1=O ZINC000070011071 343122346 /nfs/dbraw/zinc/12/23/46/343122346.db2.gz BCYIADAFHSSBFB-ZETCQYMHSA-N 1 0 200.238 -0.645 40 0 BBABRO CCNC(=O)[C@@H](C)N1CCC[C@H]([NH3+])C1=O ZINC000070062094 384221001 /nfs/dbraw/zinc/22/10/01/384221001.db2.gz GHBNSUFEBYAYIH-SFYZADRCSA-N 1 0 213.281 -0.539 40 0 BBABRO CCNC(=O)[C@H](C)N1CCC[C@H]([NH3+])C1=O ZINC000070062095 384219071 /nfs/dbraw/zinc/21/90/71/384219071.db2.gz GHBNSUFEBYAYIH-YUMQZZPRSA-N 1 0 213.281 -0.539 40 0 BBABRO CCNC(=O)[C@@H](C)N1CCC[C@@H]([NH3+])C1=O ZINC000070062096 384220812 /nfs/dbraw/zinc/22/08/12/384220812.db2.gz GHBNSUFEBYAYIH-HTQZYQBOSA-N 1 0 213.281 -0.539 40 0 BBABRO CCNC(=O)[C@H](C)N1CCC[C@@H]([NH3+])C1=O ZINC000070062097 384219797 /nfs/dbraw/zinc/21/97/97/384219797.db2.gz GHBNSUFEBYAYIH-JGVFFNPUSA-N 1 0 213.281 -0.539 40 0 BBABRO C[C@@H](C(=O)N(C)C)N1CCC[C@H]([NH3+])C1=O ZINC000070062102 259313072 /nfs/dbraw/zinc/31/30/72/259313072.db2.gz REITWCYFSGMTIN-YUMQZZPRSA-N 1 0 213.281 -0.587 40 0 BBABRO C[C@H](C(=O)N(C)C)N1CCC[C@H]([NH3+])C1=O ZINC000070062103 259313139 /nfs/dbraw/zinc/31/31/39/259313139.db2.gz REITWCYFSGMTIN-SFYZADRCSA-N 1 0 213.281 -0.587 40 0 BBABRO C[C@@H](C(=O)N(C)C)N1CCC[C@@H]([NH3+])C1=O ZINC000070062104 259312990 /nfs/dbraw/zinc/31/29/90/259312990.db2.gz REITWCYFSGMTIN-JGVFFNPUSA-N 1 0 213.281 -0.587 40 0 BBABRO C[C@H](C(=O)N(C)C)N1CCC[C@@H]([NH3+])C1=O ZINC000070062105 259312886 /nfs/dbraw/zinc/31/28/86/259312886.db2.gz REITWCYFSGMTIN-HTQZYQBOSA-N 1 0 213.281 -0.587 40 0 BBABRO CCCNC(=O)CN1CCC[C@H]([NH3+])C1=O ZINC000070062322 259312959 /nfs/dbraw/zinc/31/29/59/259312959.db2.gz CAAOPRQSOHPGPJ-QMMMGPOBSA-N 1 0 213.281 -0.538 40 0 BBABRO CCCNC(=O)CN1CCC[C@@H]([NH3+])C1=O ZINC000070062323 259313054 /nfs/dbraw/zinc/31/30/54/259313054.db2.gz CAAOPRQSOHPGPJ-MRVPVSSYSA-N 1 0 213.281 -0.538 40 0 BBABRO [NH3+][C@H]1CCCN(CC(=O)NC2CC2)C1=O ZINC000070062326 259313148 /nfs/dbraw/zinc/31/31/48/259313148.db2.gz ZRCRHJBILGRUOA-QMMMGPOBSA-N 1 0 211.265 -0.785 40 0 BBABRO [NH3+][C@@H]1CCCN(CC(=O)NC2CC2)C1=O ZINC000070062327 259312837 /nfs/dbraw/zinc/31/28/37/259312837.db2.gz ZRCRHJBILGRUOA-MRVPVSSYSA-N 1 0 211.265 -0.785 40 0 BBABRO [NH3+]Cc1ccc(S(=O)(=O)N2CCC2)nc1 ZINC000070453873 259314207 /nfs/dbraw/zinc/31/42/07/259314207.db2.gz GEABXCWRYJLFPU-UHFFFAOYSA-N 1 0 227.289 -0.065 40 0 BBABRO CNS(=O)(=O)c1ccc(C[NH3+])cn1 ZINC000070453874 259314159 /nfs/dbraw/zinc/31/41/59/259314159.db2.gz UMPBEVIFLZMPRU-UHFFFAOYSA-N 1 0 201.251 -0.552 40 0 BBABRO CN(C)S(=O)(=O)c1ccc(C[NH3+])cn1 ZINC000070453875 384108230 /nfs/dbraw/zinc/10/82/30/384108230.db2.gz NDAFBPAQUDUOIN-UHFFFAOYSA-N 1 0 215.278 -0.209 40 0 BBABRO Cc1nn(C)c(N2CC[NH2+]CC2)c1C=O ZINC000070609484 259365977 /nfs/dbraw/zinc/36/59/77/259365977.db2.gz WPZUHKMTJGCHQJ-UHFFFAOYSA-N 1 0 208.265 -0.049 40 0 BBABRO c1nnc2c(N3CC[NH2+]CC3)nccn12 ZINC000070616379 132231320 /nfs/dbraw/zinc/23/13/20/132231320.db2.gz PZVVYIBOFVAFOK-UHFFFAOYSA-N 1 0 204.237 -0.466 40 0 BBABRO C[NH+](C)CCCNC(=O)c1cc(N)n[nH]1 ZINC000070646833 388880740 /nfs/dbraw/zinc/88/07/40/388880740.db2.gz AVYMVWHDPHAAAA-UHFFFAOYSA-N 1 0 211.269 -0.327 40 0 BBABRO C[NH+]1CCC(NC(=O)c2cc(N)n[nH]2)CC1 ZINC000070646908 384127755 /nfs/dbraw/zinc/12/77/55/384127755.db2.gz QXUQBIUVSKRUBY-UHFFFAOYSA-N 1 0 223.280 -0.184 40 0 BBABRO CS(=O)(=O)N1CCC[C@H](C(N)=[NH2+])C1 ZINC000070663862 205465832 /nfs/dbraw/zinc/46/58/32/205465832.db2.gz UYRHTUFIENDFSW-LURJTMIESA-N 1 0 205.283 -0.406 40 0 BBABRO CCS(=O)(=O)N1CCC[C@H](C(N)=[NH2+])C1 ZINC000070663864 205465301 /nfs/dbraw/zinc/46/53/01/205465301.db2.gz HQAHZUHHHNSCHP-ZETCQYMHSA-N 1 0 219.310 -0.016 40 0 BBABRO CCS(=O)(=O)N1CCC(C(N)=[NH2+])CC1 ZINC000070664211 384132092 /nfs/dbraw/zinc/13/20/92/384132092.db2.gz MYOVMRNTBWZNOG-UHFFFAOYSA-N 1 0 219.310 -0.016 40 0 BBABRO CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000070842717 259314114 /nfs/dbraw/zinc/31/41/14/259314114.db2.gz PDYCEOODPAFJFE-UHFFFAOYSA-N 1 0 223.280 -0.048 40 0 BBABRO [NH3+]Cc1ccc(N2CCN(C=O)CC2)nc1 ZINC000071522464 132393143 /nfs/dbraw/zinc/39/31/43/132393143.db2.gz SAFWLRDJNONFHC-UHFFFAOYSA-N 1 0 220.276 -0.181 40 0 BBABRO [NH3+]Cc1ccc(S(=O)(=O)NCCO)cc1 ZINC000072206364 385058792 /nfs/dbraw/zinc/05/87/92/385058792.db2.gz MWWPMBNEHDAOPD-UHFFFAOYSA-N 1 0 230.289 -0.584 40 0 BBABRO [NH3+]Cc1ccc(S(=O)(=O)NCCCO)cc1 ZINC000072206365 385059575 /nfs/dbraw/zinc/05/95/75/385059575.db2.gz YPFHZLLKTIYXLU-UHFFFAOYSA-N 1 0 244.316 -0.194 40 0 BBABRO [NH3+]CCc1ccc(S(=O)(=O)NCCO)cc1 ZINC000072206366 259523037 /nfs/dbraw/zinc/52/30/37/259523037.db2.gz SIJKLBAQFRIASD-UHFFFAOYSA-N 1 0 244.316 -0.542 40 0 BBABRO CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000072208464 259523875 /nfs/dbraw/zinc/52/38/75/259523875.db2.gz QRQZOXYIAIRNSZ-SSDOTTSWSA-N 1 0 209.253 -0.438 40 0 BBABRO CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000072208465 385061894 /nfs/dbraw/zinc/06/18/94/385061894.db2.gz QRQZOXYIAIRNSZ-ZETCQYMHSA-N 1 0 209.253 -0.438 40 0 BBABRO CN(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000072208466 259523886 /nfs/dbraw/zinc/52/38/86/259523886.db2.gz SOKNEULJELOLHN-MRVPVSSYSA-N 1 0 223.280 -0.096 40 0 BBABRO CN(C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000072208467 385060736 /nfs/dbraw/zinc/06/07/36/385060736.db2.gz SOKNEULJELOLHN-QMMMGPOBSA-N 1 0 223.280 -0.096 40 0 BBABRO CN(C)C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000072208476 259523546 /nfs/dbraw/zinc/52/35/46/259523546.db2.gz BEZMVDWUFRDUFC-SSDOTTSWSA-N 1 0 209.253 -0.486 40 0 BBABRO CN(C)C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000072208477 385062377 /nfs/dbraw/zinc/06/23/77/385062377.db2.gz BEZMVDWUFRDUFC-ZETCQYMHSA-N 1 0 209.253 -0.486 40 0 BBABRO Cn1nc(C[NH3+])c2c1CCS(=O)(=O)C2 ZINC000072209751 259316206 /nfs/dbraw/zinc/31/62/06/259316206.db2.gz NCSHMNDRYQYAOA-UHFFFAOYSA-N 1 0 215.278 -0.650 40 0 BBABRO C[NH2+]Cc1nn(C)c2c1CS(=O)(=O)CC2 ZINC000072209752 259315911 /nfs/dbraw/zinc/31/59/11/259315911.db2.gz WFTQTALRVNRBMX-UHFFFAOYSA-N 1 0 229.305 -0.390 40 0 BBABRO CN(C)C(=O)c1nn(C)c2c1C[NH2+]CC2 ZINC000072209778 172392946 /nfs/dbraw/zinc/39/29/46/172392946.db2.gz NFVKKEKAIWNTJL-UHFFFAOYSA-N 1 0 208.265 -0.232 40 0 BBABRO CN(CC[NH3+])S(=O)(=O)c1ccco1 ZINC000072209862 259315954 /nfs/dbraw/zinc/31/59/54/259315954.db2.gz WMBFNUXNAOUEMO-UHFFFAOYSA-N 1 0 204.251 -0.141 40 0 BBABRO CCn1cc(S(=O)(=O)N(C)CC[NH3+])cn1 ZINC000072209863 259315909 /nfs/dbraw/zinc/31/59/09/259315909.db2.gz KIYWVBIMBCILAL-UHFFFAOYSA-N 1 0 232.309 -0.518 40 0 BBABRO CCCn1cc(S(=O)(=O)N(C)CC[NH3+])cn1 ZINC000072209865 259316104 /nfs/dbraw/zinc/31/61/04/259316104.db2.gz MBUBLLLADDCNJJ-UHFFFAOYSA-N 1 0 246.336 -0.128 40 0 BBABRO Cc1nn(C)cc1S(=O)(=O)N(C)CC[NH3+] ZINC000072209866 259315913 /nfs/dbraw/zinc/31/59/13/259315913.db2.gz CRFSGKOPTILUJB-UHFFFAOYSA-N 1 0 232.309 -0.692 40 0 BBABRO Cc1c(S(=O)(=O)N(C)CC[NH3+])cnn1C ZINC000072209867 259315982 /nfs/dbraw/zinc/31/59/82/259315982.db2.gz RQTQWCVNPMDEGI-UHFFFAOYSA-N 1 0 232.309 -0.692 40 0 BBABRO CC(C)([C@@H](C[NH3+])CO)N1CCOCC1 ZINC000072210346 385068217 /nfs/dbraw/zinc/06/82/17/385068217.db2.gz LZVOZTQWHARFBY-VIFPVBQESA-N 1 0 202.298 -0.336 40 0 BBABRO CC(C)([C@H](C[NH3+])CO)N1CCOCC1 ZINC000072210347 385069156 /nfs/dbraw/zinc/06/91/56/385069156.db2.gz LZVOZTQWHARFBY-SECBINFHSA-N 1 0 202.298 -0.336 40 0 BBABRO CC(C)[C@@H]([C@@H](C[NH3+])CO)N1CCOCC1 ZINC000072210601 259317601 /nfs/dbraw/zinc/31/76/01/259317601.db2.gz IVKOESYLZXSQES-QWRGUYRKSA-N 1 0 216.325 -0.090 40 0 BBABRO CC(C)[C@H]([C@@H](C[NH3+])CO)N1CCOCC1 ZINC000072210602 259317192 /nfs/dbraw/zinc/31/71/92/259317192.db2.gz IVKOESYLZXSQES-WDEREUQCSA-N 1 0 216.325 -0.090 40 0 BBABRO CC(C)[C@@H]([C@H](C[NH3+])CO)N1CCOCC1 ZINC000072210603 259317523 /nfs/dbraw/zinc/31/75/23/259317523.db2.gz IVKOESYLZXSQES-MNOVXSKESA-N 1 0 216.325 -0.090 40 0 BBABRO CC(C)[C@H]([C@H](C[NH3+])CO)N1CCOCC1 ZINC000072210604 259317463 /nfs/dbraw/zinc/31/74/63/259317463.db2.gz IVKOESYLZXSQES-GHMZBOCLSA-N 1 0 216.325 -0.090 40 0 BBABRO O=S(=O)([O-])c1c[nH+]ccc1N1CC[NH2+]CC1 ZINC000072210685 259317544 /nfs/dbraw/zinc/31/75/44/259317544.db2.gz HLYPYDOXEOYKQZ-UHFFFAOYSA-N 1 0 243.288 -0.262 40 0 BBABRO [NH3+]CC(=O)NCc1nc(-c2cccnc2)no1 ZINC000072220473 259319598 /nfs/dbraw/zinc/31/95/98/259319598.db2.gz FKBOGMUDFRSGQX-UHFFFAOYSA-N 1 0 233.231 -0.294 40 0 BBABRO [NH3+]CC(=O)NCc1nc(-c2ccncc2)no1 ZINC000072220474 259319432 /nfs/dbraw/zinc/31/94/32/259319432.db2.gz CTIBDSRWHRBGTR-UHFFFAOYSA-N 1 0 233.231 -0.294 40 0 BBABRO Cc1[nH+]c(NN)ccc1S(N)(=O)=O ZINC000072220868 385097708 /nfs/dbraw/zinc/09/77/08/385097708.db2.gz HVMXPPIOCRJEGS-UHFFFAOYSA-N 1 0 202.239 -0.677 40 0 BBABRO C[NH2+][C@@H]1CCCN(c2cn(C)nn2)C1=O ZINC000072221035 259319684 /nfs/dbraw/zinc/31/96/84/259319684.db2.gz AJLNZTNRAOYTFE-SSDOTTSWSA-N 1 0 209.253 -0.470 40 0 BBABRO C[NH2+][C@H]1CCCN(c2cn(C)nn2)C1=O ZINC000072221036 259319617 /nfs/dbraw/zinc/31/96/17/259319617.db2.gz AJLNZTNRAOYTFE-ZETCQYMHSA-N 1 0 209.253 -0.470 40 0 BBABRO Cn1cc2c(n1)[C@H](C(=O)NC1CC1)C[NH2+]C2 ZINC000072343611 384208196 /nfs/dbraw/zinc/20/81/96/384208196.db2.gz OQVUQBFBZWUETM-SECBINFHSA-N 1 0 220.276 -0.115 40 0 BBABRO Cn1cc2c(n1)[C@@H](C(=O)NC1CC1)C[NH2+]C2 ZINC000072343612 384208723 /nfs/dbraw/zinc/20/87/23/384208723.db2.gz OQVUQBFBZWUETM-VIFPVBQESA-N 1 0 220.276 -0.115 40 0 BBABRO COC[C@@H]1C[NH2+]CCN(S(C)(=O)=O)C1 ZINC000072343645 384208260 /nfs/dbraw/zinc/20/82/60/384208260.db2.gz HBOZYRZAEJQXQL-MRVPVSSYSA-N 1 0 222.310 -0.886 40 0 BBABRO COC[C@H]1C[NH2+]CCN(S(C)(=O)=O)C1 ZINC000072343646 384208872 /nfs/dbraw/zinc/20/88/72/384208872.db2.gz HBOZYRZAEJQXQL-QMMMGPOBSA-N 1 0 222.310 -0.886 40 0 BBABRO CC(=O)NC1CCN(C[C@@]2(O)CC[NH2+]C2)CC1 ZINC000072344065 384207372 /nfs/dbraw/zinc/20/73/72/384207372.db2.gz OYYZNPXFYFOCTO-GFCCVEGCSA-N 1 0 241.335 -0.689 40 0 BBABRO NC(=O)[C@H]1CNCC[N@@H+](C2CCOCC2)C1 ZINC000072344411 181283320 /nfs/dbraw/zinc/28/33/20/181283320.db2.gz ZTFCNZOGNWPRJR-VIFPVBQESA-N 1 0 227.308 -0.828 40 0 BBABRO NC(=O)[C@@H]1CNCC[N@@H+](C2CCOCC2)C1 ZINC000072344412 181272472 /nfs/dbraw/zinc/27/24/72/181272472.db2.gz ZTFCNZOGNWPRJR-SECBINFHSA-N 1 0 227.308 -0.828 40 0 BBABRO CC(=O)N1CC[NH2+]C[C@H](C(=O)N(C)C)C1 ZINC000072344413 384207592 /nfs/dbraw/zinc/20/75/92/384207592.db2.gz KYDWEYNFFNRSMW-VIFPVBQESA-N 1 0 213.281 -0.858 40 0 BBABRO CC(=O)N1CC[NH2+]C[C@@H](C(=O)N(C)C)C1 ZINC000072344414 188132108 /nfs/dbraw/zinc/13/21/08/188132108.db2.gz KYDWEYNFFNRSMW-SECBINFHSA-N 1 0 213.281 -0.858 40 0 BBABRO CNC(=O)[C@@H]1CNCC[N@@H+](C2CCOCC2)C1 ZINC000072344423 173300163 /nfs/dbraw/zinc/30/01/63/173300163.db2.gz KDSUNWNRIXUCBC-SNVBAGLBSA-N 1 0 241.335 -0.567 40 0 BBABRO CNC(=O)[C@H]1CNCC[N@@H+](C2CCOCC2)C1 ZINC000072344424 173308290 /nfs/dbraw/zinc/30/82/90/173308290.db2.gz KDSUNWNRIXUCBC-JTQLQIEISA-N 1 0 241.335 -0.567 40 0 BBABRO Cc1nccn1CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000072344576 180260244 /nfs/dbraw/zinc/26/02/44/180260244.db2.gz GMZPFCPFSGJFGX-SNVBAGLBSA-N 1 0 222.292 -0.083 40 0 BBABRO Cc1nccn1CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000072344577 180257974 /nfs/dbraw/zinc/25/79/74/180257974.db2.gz GMZPFCPFSGJFGX-JTQLQIEISA-N 1 0 222.292 -0.083 40 0 BBABRO CNC(=O)CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000072345761 173276080 /nfs/dbraw/zinc/27/60/80/173276080.db2.gz RCEVNPHMZXUQIJ-SNVBAGLBSA-N 1 0 213.281 -0.619 40 0 BBABRO CNC(=O)CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000072345762 173276536 /nfs/dbraw/zinc/27/65/36/173276536.db2.gz RCEVNPHMZXUQIJ-JTQLQIEISA-N 1 0 213.281 -0.619 40 0 BBABRO NC(=O)c1cnn(CC2CC[NH2+]CC2)c1 ZINC000072348409 181309504 /nfs/dbraw/zinc/30/95/04/181309504.db2.gz JTZDBZRPUUMFGB-UHFFFAOYSA-N 1 0 208.265 -0.018 40 0 BBABRO C[NH+](C)CC(=O)N1CC[C@H](c2ccnc(N)n2)C1 ZINC000072357391 384214563 /nfs/dbraw/zinc/21/45/63/384214563.db2.gz XTFCDTLAPIBGMY-VIFPVBQESA-N 1 0 249.318 -0.064 40 0 BBABRO C[NH+](C)CC(=O)N1CC[C@@H](c2ccnc(N)n2)C1 ZINC000072357392 384213168 /nfs/dbraw/zinc/21/31/68/384213168.db2.gz XTFCDTLAPIBGMY-SECBINFHSA-N 1 0 249.318 -0.064 40 0 BBABRO CNC(=O)[C@H]1C[N@H+](C)CCN1c1ccnc(C)n1 ZINC000072361499 536398713 /nfs/dbraw/zinc/39/87/13/536398713.db2.gz FDKHDKDAFSNZBP-SNVBAGLBSA-N 1 0 249.318 -0.349 40 0 BBABRO CNC(=O)[C@H]1C[N@H+](C)CCN1c1cc(C)ncn1 ZINC000072361510 536398762 /nfs/dbraw/zinc/39/87/62/536398762.db2.gz JFPHNDPLSWHISH-SNVBAGLBSA-N 1 0 249.318 -0.349 40 0 BBABRO CC(C)[N@@H+]1CCN(c2ncccn2)[C@H](C(N)=O)C1 ZINC000072365942 132396355 /nfs/dbraw/zinc/39/63/55/132396355.db2.gz PLHBQJVIMFRUMH-JTQLQIEISA-N 1 0 249.318 -0.139 40 0 BBABRO C[C@]1(C(N)=O)C[N@H+](CC2CCOCC2)CCO1 ZINC000072379823 384216094 /nfs/dbraw/zinc/21/60/94/384216094.db2.gz ZDOZOEQNGTXVHE-GFCCVEGCSA-N 1 0 242.319 -0.011 40 0 BBABRO C[C@@]1(C(N)=O)C[N@H+](CC2CCOCC2)CCO1 ZINC000072379824 384216266 /nfs/dbraw/zinc/21/62/66/384216266.db2.gz ZDOZOEQNGTXVHE-LBPRGKRZSA-N 1 0 242.319 -0.011 40 0 BBABRO NC(=O)c1cccc(C[C@@H]2C[NH2+]CCOC2)n1 ZINC000072380804 181304659 /nfs/dbraw/zinc/30/46/59/181304659.db2.gz KKZWZDAZLMARPF-SECBINFHSA-N 1 0 235.287 -0.041 40 0 BBABRO NC(=O)c1cccc(C[C@H]2C[NH2+]CCOC2)n1 ZINC000072380805 181305102 /nfs/dbraw/zinc/30/51/02/181305102.db2.gz KKZWZDAZLMARPF-VIFPVBQESA-N 1 0 235.287 -0.041 40 0 BBABRO Cn1ccnc1C[C@@H]1CCC[N@@H+]1CC(N)=O ZINC000072383237 384220458 /nfs/dbraw/zinc/22/04/58/384220458.db2.gz CLJMAKPFFBZBJZ-VIFPVBQESA-N 1 0 222.292 -0.088 40 0 BBABRO Cn1ccnc1C[C@H]1CCC[N@@H+]1CC(N)=O ZINC000072383238 384220293 /nfs/dbraw/zinc/22/02/93/384220293.db2.gz CLJMAKPFFBZBJZ-SECBINFHSA-N 1 0 222.292 -0.088 40 0 BBABRO Cc1nc(N)cc([C@@H]2CCN2C(=O)C[NH3+])n1 ZINC000072387429 384277396 /nfs/dbraw/zinc/27/73/96/384277396.db2.gz XQNJUZQMGUQBTC-QMMMGPOBSA-N 1 0 221.264 -0.401 40 0 BBABRO Cc1nc(N)cc([C@H]2CCN2C(=O)C[NH3+])n1 ZINC000072387430 179999437 /nfs/dbraw/zinc/99/94/37/179999437.db2.gz XQNJUZQMGUQBTC-MRVPVSSYSA-N 1 0 221.264 -0.401 40 0 BBABRO Cc1nc(N)cc([C@@H]2CC[N@@H+]2CCC(N)=O)n1 ZINC000072387445 179999546 /nfs/dbraw/zinc/99/95/46/179999546.db2.gz KDFULSBPXWAWEC-VIFPVBQESA-N 1 0 235.291 -0.011 40 0 BBABRO Cc1nc(N)cc([C@H]2CC[N@@H+]2CCC(N)=O)n1 ZINC000072387446 384218668 /nfs/dbraw/zinc/21/86/68/384218668.db2.gz KDFULSBPXWAWEC-SECBINFHSA-N 1 0 235.291 -0.011 40 0 BBABRO O=C1N=NC(c2cn(C3CC[NH2+]CC3)nn2)O1 ZINC000072397747 183308846 /nfs/dbraw/zinc/30/88/46/183308846.db2.gz VLJIPJTVDHSEHE-UHFFFAOYSA-N 1 0 236.235 -0.042 40 0 BBABRO Cc1nc2c(nnn2C[C@H]2CCC[NH2+]2)c(=O)[nH]1 ZINC000072398208 188131680 /nfs/dbraw/zinc/13/16/80/188131680.db2.gz OJEPFBCDYNHPQU-SSDOTTSWSA-N 1 0 234.263 -0.013 40 0 BBABRO c1nnc2ccc(N[C@@H]3CC[NH2+]C3)nn12 ZINC000073737043 183376765 /nfs/dbraw/zinc/37/67/65/183376765.db2.gz IQXHKEQHRBLPDS-SSDOTTSWSA-N 1 0 204.237 -0.102 40 0 BBABRO c1nnc2ccc(N[C@H]3CC[NH2+]C3)nn12 ZINC000073737048 183377177 /nfs/dbraw/zinc/37/71/77/183377177.db2.gz IQXHKEQHRBLPDS-ZETCQYMHSA-N 1 0 204.237 -0.102 40 0 BBABRO O=S1(=O)CCC2(CC1)C[C@H](O)CC[NH2+]2 ZINC000075145917 350245722 /nfs/dbraw/zinc/24/57/22/350245722.db2.gz CCCYKISIPDNLCK-MRVPVSSYSA-N 1 0 219.306 -0.322 40 0 BBABRO O=S1(=O)CCC2(CC1)C[C@@H](O)CC[NH2+]2 ZINC000075145918 350245849 /nfs/dbraw/zinc/24/58/49/350245849.db2.gz CCCYKISIPDNLCK-QMMMGPOBSA-N 1 0 219.306 -0.322 40 0 BBABRO CC(=O)NC[C@H]1OC[C@@H]([NH2+]C(C)C)[C@@H]1O ZINC000077263768 387450855 /nfs/dbraw/zinc/45/08/55/387450855.db2.gz FCBJKVAWIOWVME-BBBLOLIVSA-N 1 0 216.281 -0.751 40 0 biogenic,in-vitro BBABRO CC(=O)NC[C@H]1OC[C@@H]([NH2+]CC2CC2)[C@@H]1O ZINC000077263792 387452047 /nfs/dbraw/zinc/45/20/47/387452047.db2.gz RXIAXFORFJTOBA-MXWKQRLJSA-N 1 0 228.292 -0.750 40 0 biogenic,in-vitro BBABRO C[NH+](C)[C@@H]1CO[C@H](CNC(=O)C2CC2)[C@H]1O ZINC000077263930 387451438 /nfs/dbraw/zinc/45/14/38/387451438.db2.gz OHFWNCJCJVITLU-BBBLOLIVSA-N 1 0 228.292 -0.798 40 0 biogenic,in-vitro BBABRO CC(C)[NH2+][C@@H]1CO[C@H](CNC(=O)C2CC2)[C@H]1O ZINC000077263933 387451456 /nfs/dbraw/zinc/45/14/56/387451456.db2.gz OPIOSYWJHAVCBN-MXWKQRLJSA-N 1 0 242.319 -0.361 40 0 biogenic,in-vitro BBABRO CC(C)NC(=O)NC[C@H]1OC[C@@H]([NH+](C)C)[C@@H]1O ZINC000077264833 167073386 /nfs/dbraw/zinc/07/33/86/167073386.db2.gz STMMDDMZSVEHLW-BBBLOLIVSA-N 1 0 245.323 -0.616 40 0 biogenic,in-vitro BBABRO CC(C)(C)OC(=O)NC[C@H]1OC[C@@H]([NH3+])[C@@H]1O ZINC000077265498 387450554 /nfs/dbraw/zinc/45/05/54/387450554.db2.gz OJEPPFGWDMLHFY-PRJMDXOYSA-N 1 0 232.280 -0.402 40 0 biogenic,in-vitro BBABRO O=C1NC[C@H]2C[N@@H+](C3CCOCC3)CCN12 ZINC000077266439 387450646 /nfs/dbraw/zinc/45/06/46/387450646.db2.gz KWHZIMRNHZXFSL-JTQLQIEISA-N 1 0 225.292 -0.125 40 0 biogenic,in-vitro BBABRO CC(=O)N1CCCC[C@@H]1C[NH2+]CCO ZINC000079405214 384132571 /nfs/dbraw/zinc/13/25/71/384132571.db2.gz GZRYWJDATIMWFS-SNVBAGLBSA-N 1 0 200.282 -0.031 40 0 BBABRO CC(=O)N1CCCC[C@H]1C[NH2+]CCO ZINC000079405216 384132154 /nfs/dbraw/zinc/13/21/54/384132154.db2.gz GZRYWJDATIMWFS-JTQLQIEISA-N 1 0 200.282 -0.031 40 0 BBABRO CC(=O)N1CCC[C@H](C[NH2+]CCO)C1 ZINC000079405223 384133492 /nfs/dbraw/zinc/13/34/92/384133492.db2.gz DINJZUMVRDKHFJ-SNVBAGLBSA-N 1 0 200.282 -0.173 40 0 BBABRO CC(=O)N1CCC[C@@H](C[NH2+]CCO)C1 ZINC000079405228 187944952 /nfs/dbraw/zinc/94/49/52/187944952.db2.gz DINJZUMVRDKHFJ-JTQLQIEISA-N 1 0 200.282 -0.173 40 0 BBABRO CC(=O)N1CCC(C[NH2+]CCO)CC1 ZINC000079405231 384493628 /nfs/dbraw/zinc/49/36/28/384493628.db2.gz HMTAHNIRFIKKRC-UHFFFAOYSA-N 1 0 200.282 -0.173 40 0 BBABRO CC(=O)N1CCC[C@@H]1C[N@H+](C)CCO ZINC000079405257 188291981 /nfs/dbraw/zinc/29/19/81/188291981.db2.gz WSMGIBOYNMENKO-SNVBAGLBSA-N 1 0 200.282 -0.079 40 0 BBABRO CC(=O)N1CCC[C@H]1C[N@H+](C)CCO ZINC000079405266 384132717 /nfs/dbraw/zinc/13/27/17/384132717.db2.gz WSMGIBOYNMENKO-JTQLQIEISA-N 1 0 200.282 -0.079 40 0 BBABRO CC(=O)N1CC[C@H](C[N@H+](C)CCO)C1 ZINC000079405269 384133163 /nfs/dbraw/zinc/13/31/63/384133163.db2.gz RTIBJYFEDYQFQW-SNVBAGLBSA-N 1 0 200.282 -0.221 40 0 BBABRO CC(=O)N1CC[C@@H](C[N@H+](C)CCO)C1 ZINC000079405275 187774178 /nfs/dbraw/zinc/77/41/78/187774178.db2.gz RTIBJYFEDYQFQW-JTQLQIEISA-N 1 0 200.282 -0.221 40 0 BBABRO CC(=O)N1CCC[C@H]([N@H+](C)CCO)C1 ZINC000079405279 187263777 /nfs/dbraw/zinc/26/37/77/187263777.db2.gz KJUZTEXCPBSFLP-JTQLQIEISA-N 1 0 200.282 -0.079 40 0 BBABRO CC(=O)N1CCC[C@@H]([N@H+](C)CCO)C1 ZINC000079405283 384133104 /nfs/dbraw/zinc/13/31/04/384133104.db2.gz KJUZTEXCPBSFLP-SNVBAGLBSA-N 1 0 200.282 -0.079 40 0 BBABRO CC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000079405287 384133404 /nfs/dbraw/zinc/13/34/04/384133404.db2.gz SKBAXEDFDIVQPC-UHFFFAOYSA-N 1 0 200.282 -0.079 40 0 BBABRO CC[N@H+](CCO)[C@@H]1CCN(C(C)=O)C1 ZINC000079405324 384132222 /nfs/dbraw/zinc/13/22/22/384132222.db2.gz LPDXXWQOJODLCO-SNVBAGLBSA-N 1 0 200.282 -0.079 40 0 BBABRO CC[N@H+](CCO)[C@H]1CCN(C(C)=O)C1 ZINC000079405327 384134211 /nfs/dbraw/zinc/13/42/11/384134211.db2.gz LPDXXWQOJODLCO-JTQLQIEISA-N 1 0 200.282 -0.079 40 0 BBABRO CC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000079416332 384135103 /nfs/dbraw/zinc/13/51/03/384135103.db2.gz SHQXSKKYZOVGRU-JTQLQIEISA-N 1 0 200.282 -0.031 40 0 BBABRO CC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000079416334 384140235 /nfs/dbraw/zinc/14/02/35/384140235.db2.gz SHQXSKKYZOVGRU-SNVBAGLBSA-N 1 0 200.282 -0.031 40 0 BBABRO CC(=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC000079416339 384140202 /nfs/dbraw/zinc/14/02/02/384140202.db2.gz CWLGVIFVSSMPRG-JTQLQIEISA-N 1 0 200.282 -0.173 40 0 BBABRO CC(=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC000079416343 384139184 /nfs/dbraw/zinc/13/91/84/384139184.db2.gz CWLGVIFVSSMPRG-SNVBAGLBSA-N 1 0 200.282 -0.173 40 0 BBABRO CC(=O)N(C)C[C@@H]1CCC[N@@H+]1CCO ZINC000079416351 187263563 /nfs/dbraw/zinc/26/35/63/187263563.db2.gz SBXJFFINGQSLJG-JTQLQIEISA-N 1 0 200.282 -0.079 40 0 BBABRO CC(=O)N(C)C[C@H]1CCC[N@@H+]1CCO ZINC000079416355 187263632 /nfs/dbraw/zinc/26/36/32/187263632.db2.gz SBXJFFINGQSLJG-SNVBAGLBSA-N 1 0 200.282 -0.079 40 0 BBABRO CC(=O)N(C)C[C@@H]1CC[N@H+](CCO)C1 ZINC000079416358 384139807 /nfs/dbraw/zinc/13/98/07/384139807.db2.gz XYQNJAIFQOSAEC-JTQLQIEISA-N 1 0 200.282 -0.221 40 0 BBABRO CC(=O)N(C)C[C@H]1CC[N@H+](CCO)C1 ZINC000079416362 384139052 /nfs/dbraw/zinc/13/90/52/384139052.db2.gz XYQNJAIFQOSAEC-SNVBAGLBSA-N 1 0 200.282 -0.221 40 0 BBABRO CC(=O)N(C)[C@@H]1CCC[N@H+](CCO)C1 ZINC000079416369 384496492 /nfs/dbraw/zinc/49/64/92/384496492.db2.gz WSNWDMHOCRWLEE-SNVBAGLBSA-N 1 0 200.282 -0.079 40 0 BBABRO CC(=O)N(C)[C@H]1CCC[N@H+](CCO)C1 ZINC000079416374 187263721 /nfs/dbraw/zinc/26/37/21/187263721.db2.gz WSNWDMHOCRWLEE-JTQLQIEISA-N 1 0 200.282 -0.079 40 0 BBABRO CC(=O)N(C)C1CC[NH+](CCO)CC1 ZINC000079416376 384140455 /nfs/dbraw/zinc/14/04/55/384140455.db2.gz JIZDUKYDDMACML-UHFFFAOYSA-N 1 0 200.282 -0.079 40 0 BBABRO CCN(C(C)=O)[C@@H]1CC[N@H+](CCO)C1 ZINC000079416411 384140473 /nfs/dbraw/zinc/14/04/73/384140473.db2.gz JMAFUTPCKRRIAW-SNVBAGLBSA-N 1 0 200.282 -0.079 40 0 BBABRO CCN(C(C)=O)[C@H]1CC[N@H+](CCO)C1 ZINC000079416415 384139666 /nfs/dbraw/zinc/13/96/66/384139666.db2.gz JMAFUTPCKRRIAW-JTQLQIEISA-N 1 0 200.282 -0.079 40 0 BBABRO CC(=O)NC[C@@H]1CCCCN1C(=O)C[NH3+] ZINC000079417203 188291998 /nfs/dbraw/zinc/29/19/98/188291998.db2.gz AXWGKVDWOVSLKU-VIFPVBQESA-N 1 0 213.281 -0.538 40 0 BBABRO CC(=O)NC[C@H]1CCCCN1C(=O)C[NH3+] ZINC000079417206 384139684 /nfs/dbraw/zinc/13/96/84/384139684.db2.gz AXWGKVDWOVSLKU-SECBINFHSA-N 1 0 213.281 -0.538 40 0 BBABRO CC(=O)NC[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079417209 187263754 /nfs/dbraw/zinc/26/37/54/187263754.db2.gz AOVCXUOZSBXOAB-VIFPVBQESA-N 1 0 213.281 -0.680 40 0 BBABRO CC(=O)NC[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079417212 187263314 /nfs/dbraw/zinc/26/33/14/187263314.db2.gz AOVCXUOZSBXOAB-SECBINFHSA-N 1 0 213.281 -0.680 40 0 BBABRO CC(=O)N(C)C[C@@H]1CCCN1C(=O)C[NH3+] ZINC000079417222 384139860 /nfs/dbraw/zinc/13/98/60/384139860.db2.gz AJBLBWSGFGZWNZ-VIFPVBQESA-N 1 0 213.281 -0.586 40 0 BBABRO CC(=O)N(C)C[C@H]1CCCN1C(=O)C[NH3+] ZINC000079417224 187263627 /nfs/dbraw/zinc/26/36/27/187263627.db2.gz AJBLBWSGFGZWNZ-SECBINFHSA-N 1 0 213.281 -0.586 40 0 BBABRO CC(=O)N(C)C[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000079417227 384139569 /nfs/dbraw/zinc/13/95/69/384139569.db2.gz XUDNNUYRKGZYNJ-VIFPVBQESA-N 1 0 213.281 -0.728 40 0 BBABRO CC(=O)N(C)C[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000079417230 384140110 /nfs/dbraw/zinc/14/01/10/384140110.db2.gz XUDNNUYRKGZYNJ-SECBINFHSA-N 1 0 213.281 -0.728 40 0 BBABRO CC(=O)N(C)[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079417234 384140172 /nfs/dbraw/zinc/14/01/72/384140172.db2.gz QVMZTLWRQPIQML-SECBINFHSA-N 1 0 213.281 -0.586 40 0 BBABRO CC(=O)N(C)[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079417237 384139847 /nfs/dbraw/zinc/13/98/47/384139847.db2.gz QVMZTLWRQPIQML-VIFPVBQESA-N 1 0 213.281 -0.586 40 0 BBABRO CC(=O)N(C)C1CCN(C(=O)C[NH3+])CC1 ZINC000079417243 384139834 /nfs/dbraw/zinc/13/98/34/384139834.db2.gz ACMXDNIDRVHLFI-UHFFFAOYSA-N 1 0 213.281 -0.586 40 0 BBABRO CC(=O)N(C)C[C@@H]1CCCCN1C(=O)C[NH3+] ZINC000079417244 384139436 /nfs/dbraw/zinc/13/94/36/384139436.db2.gz GLRHKJSEXMANCP-JTQLQIEISA-N 1 0 227.308 -0.196 40 0 BBABRO CC(=O)N(C)C[C@H]1CCCCN1C(=O)C[NH3+] ZINC000079417247 187427381 /nfs/dbraw/zinc/42/73/81/187427381.db2.gz GLRHKJSEXMANCP-SNVBAGLBSA-N 1 0 227.308 -0.196 40 0 BBABRO CC(=O)N(C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079417251 384139644 /nfs/dbraw/zinc/13/96/44/384139644.db2.gz SRZKXHCZELSDKC-JTQLQIEISA-N 1 0 227.308 -0.338 40 0 BBABRO CC(=O)N(C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079417255 187262995 /nfs/dbraw/zinc/26/29/95/187262995.db2.gz SRZKXHCZELSDKC-SNVBAGLBSA-N 1 0 227.308 -0.338 40 0 BBABRO CC(=O)N(C)C1CCC(NC(=O)C[NH3+])CC1 ZINC000079417261 188291570 /nfs/dbraw/zinc/29/15/70/188291570.db2.gz XEHURPANUISAQP-UHFFFAOYSA-N 1 0 227.308 -0.149 40 0 BBABRO CC(=O)N(C)[C@@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079417265 188292121 /nfs/dbraw/zinc/29/21/21/188292121.db2.gz VTFJJYPXDLWBRZ-VHSXEESVSA-N 1 0 227.308 -0.149 40 0 BBABRO CC(=O)N(C)[C@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079417268 384140124 /nfs/dbraw/zinc/14/01/24/384140124.db2.gz VTFJJYPXDLWBRZ-UWVGGRQHSA-N 1 0 227.308 -0.149 40 0 BBABRO CC(=O)N(C)[C@@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000079417270 187263023 /nfs/dbraw/zinc/26/30/23/187263023.db2.gz VTFJJYPXDLWBRZ-NXEZZACHSA-N 1 0 227.308 -0.149 40 0 BBABRO CC(=O)N(C)[C@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000079417272 384139602 /nfs/dbraw/zinc/13/96/02/384139602.db2.gz VTFJJYPXDLWBRZ-ZJUUUORDSA-N 1 0 227.308 -0.149 40 0 BBABRO CCN(C(C)=O)[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000079417275 384139540 /nfs/dbraw/zinc/13/95/40/384139540.db2.gz CBGGUHZKLZVKKG-SECBINFHSA-N 1 0 213.281 -0.586 40 0 BBABRO CCN(C(C)=O)[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000079417280 384139552 /nfs/dbraw/zinc/13/95/52/384139552.db2.gz CBGGUHZKLZVKKG-VIFPVBQESA-N 1 0 213.281 -0.586 40 0 BBABRO CCN(C[C@@H]1CCCN1C(=O)C[NH3+])C(C)=O ZINC000079417283 169886371 /nfs/dbraw/zinc/88/63/71/169886371.db2.gz SVEZVBLRXXCDGQ-JTQLQIEISA-N 1 0 227.308 -0.196 40 0 BBABRO CCN(C[C@H]1CCCN1C(=O)C[NH3+])C(C)=O ZINC000079417285 169897368 /nfs/dbraw/zinc/89/73/68/169897368.db2.gz SVEZVBLRXXCDGQ-SNVBAGLBSA-N 1 0 227.308 -0.196 40 0 BBABRO CCN(C[C@@H]1CCN(C(=O)C[NH3+])C1)C(C)=O ZINC000079417286 384139127 /nfs/dbraw/zinc/13/91/27/384139127.db2.gz IQTRGTBCNOJICI-JTQLQIEISA-N 1 0 227.308 -0.338 40 0 BBABRO CCN(C[C@H]1CCN(C(=O)C[NH3+])C1)C(C)=O ZINC000079417290 384139688 /nfs/dbraw/zinc/13/96/88/384139688.db2.gz IQTRGTBCNOJICI-SNVBAGLBSA-N 1 0 227.308 -0.338 40 0 BBABRO CCN(C(C)=O)[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079417297 384139548 /nfs/dbraw/zinc/13/95/48/384139548.db2.gz QVSNLXUGLLIVQU-SNVBAGLBSA-N 1 0 227.308 -0.196 40 0 BBABRO CCN(C(C)=O)[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079417298 384138936 /nfs/dbraw/zinc/13/89/36/384138936.db2.gz QVSNLXUGLLIVQU-JTQLQIEISA-N 1 0 227.308 -0.196 40 0 BBABRO CCN(C(C)=O)C1CCN(C(=O)C[NH3+])CC1 ZINC000079417302 384496677 /nfs/dbraw/zinc/49/66/77/384496677.db2.gz SNRJIDJSNZOEKE-UHFFFAOYSA-N 1 0 227.308 -0.196 40 0 BBABRO CC(=O)N(C(C)C)[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000079417343 187427794 /nfs/dbraw/zinc/42/77/94/187427794.db2.gz LBFNJJQZOVMDOM-SNVBAGLBSA-N 1 0 227.308 -0.197 40 0 BBABRO CC(=O)N(C(C)C)[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000079417350 384139849 /nfs/dbraw/zinc/13/98/49/384139849.db2.gz LBFNJJQZOVMDOM-JTQLQIEISA-N 1 0 227.308 -0.197 40 0 BBABRO CC(=O)N(C1CC1)[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000079417408 384139564 /nfs/dbraw/zinc/13/95/64/384139564.db2.gz QCAHFBJTQAUGNZ-SNVBAGLBSA-N 1 0 225.292 -0.443 40 0 BBABRO CC(=O)N(C1CC1)[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000079417411 187263055 /nfs/dbraw/zinc/26/30/55/187263055.db2.gz QCAHFBJTQAUGNZ-JTQLQIEISA-N 1 0 225.292 -0.443 40 0 BBABRO CC(=O)N(C[C@@H]1CCCN1C(=O)C[NH3+])C1CC1 ZINC000079417415 187263447 /nfs/dbraw/zinc/26/34/47/187263447.db2.gz ZPRXLXGDPWZEBD-NSHDSACASA-N 1 0 239.319 -0.053 40 0 BBABRO CC(=O)N(C[C@H]1CCCN1C(=O)C[NH3+])C1CC1 ZINC000079417420 384139770 /nfs/dbraw/zinc/13/97/70/384139770.db2.gz ZPRXLXGDPWZEBD-LLVKDONJSA-N 1 0 239.319 -0.053 40 0 BBABRO CC(=O)N(C[C@@H]1CCN(C(=O)C[NH3+])C1)C1CC1 ZINC000079417428 188291728 /nfs/dbraw/zinc/29/17/28/188291728.db2.gz AZJVMXKPEMZQEB-SNVBAGLBSA-N 1 0 239.319 -0.196 40 0 BBABRO CC(=O)N(C[C@H]1CCN(C(=O)C[NH3+])C1)C1CC1 ZINC000079417432 384139630 /nfs/dbraw/zinc/13/96/30/384139630.db2.gz AZJVMXKPEMZQEB-JTQLQIEISA-N 1 0 239.319 -0.196 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ZINC000095097831 385450128 /nfs/dbraw/zinc/45/01/28/385450128.db2.gz OBOQIELAMFFKRS-MNOVXSKESA-N 1 0 240.303 -0.292 40 0 BBABRO CN1C(=O)C(=C2CC[NH2+]CC2)C(=O)N(C)C1=O ZINC000095098271 172957700 /nfs/dbraw/zinc/95/77/00/172957700.db2.gz JMTAZHJBSQDVPA-UHFFFAOYSA-N 1 0 237.259 -0.283 40 0 BBABRO CC(=O)NCc1cn(CC2([NH3+])CC2)nn1 ZINC000095619026 188499848 /nfs/dbraw/zinc/49/98/48/188499848.db2.gz XDNLWPLAZHTWCR-UHFFFAOYSA-N 1 0 209.253 -0.595 40 0 BBABRO CC(C)(C)OC(=O)N1CC([NH3+])(CO)C1 ZINC000095707440 386599161 /nfs/dbraw/zinc/59/91/61/386599161.db2.gz JWVHLOXEHDYSLW-UHFFFAOYSA-N 1 0 202.254 -0.073 40 0 BBABRO CC(=O)O[C@]1(O)C[C@@H]2C[C@H](O)C[C@H]1[N@@H+]2C ZINC000095891418 384404569 /nfs/dbraw/zinc/40/45/69/384404569.db2.gz ZOEKPECIPVPBCF-AXTSPUMRSA-N 1 0 215.249 -0.535 40 0 BBABRO CC(=O)O[C@@]1(O)C[C@@H]2C[C@H](O)C[C@H]1[N@@H+]2C ZINC000095891419 384405527 /nfs/dbraw/zinc/40/55/27/384405527.db2.gz ZOEKPECIPVPBCF-QEYWKRMJSA-N 1 0 215.249 -0.535 40 0 BBABRO CC(=O)O[C@]1(O)C[C@@H]2C[C@@H](O)C[C@H]1[N@@H+]2C ZINC000095891420 187288706 /nfs/dbraw/zinc/28/87/06/187288706.db2.gz ZOEKPECIPVPBCF-SGIHWFKDSA-N 1 0 215.249 -0.535 40 0 BBABRO CC(=O)O[C@@]1(O)C[C@@H]2C[C@@H](O)C[C@H]1[N@@H+]2C ZINC000095891421 187288524 /nfs/dbraw/zinc/28/85/24/187288524.db2.gz ZOEKPECIPVPBCF-JLIMGVALSA-N 1 0 215.249 -0.535 40 0 BBABRO COC(=O)CCS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC000095908524 384405212 /nfs/dbraw/zinc/40/52/12/384405212.db2.gz SFSUSZSFCDEDIP-SSDOTTSWSA-N 1 0 221.278 -0.674 40 0 BBABRO COC(=O)CCS(=O)(=O)[C@H]1CC[NH2+]C1 ZINC000095908525 173564954 /nfs/dbraw/zinc/56/49/54/173564954.db2.gz SFSUSZSFCDEDIP-ZETCQYMHSA-N 1 0 221.278 -0.674 40 0 BBABRO COC(=O)CCS(=O)(=O)C1CC[NH2+]CC1 ZINC000095908528 384405931 /nfs/dbraw/zinc/40/59/31/384405931.db2.gz QPLWVZVCHGQQDK-UHFFFAOYSA-N 1 0 235.305 -0.284 40 0 BBABRO COC(=O)CS(=O)(=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000095908532 384404430 /nfs/dbraw/zinc/40/44/30/384404430.db2.gz YXSDNULILQISKZ-JVHMLUBASA-N 1 0 247.316 -0.143 40 0 BBABRO COC(=O)CS(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000095908543 173615173 /nfs/dbraw/zinc/61/51/73/173615173.db2.gz LPHSPEVQZDAZQV-ZETCQYMHSA-N 1 0 221.278 -0.674 40 0 BBABRO COC(=O)CS(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000095908544 384405543 /nfs/dbraw/zinc/40/55/43/384405543.db2.gz LPHSPEVQZDAZQV-SSDOTTSWSA-N 1 0 221.278 -0.674 40 0 BBABRO COC(=O)CCS(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000095908545 384405921 /nfs/dbraw/zinc/40/59/21/384405921.db2.gz UTSHBIMOHMODCX-QMMMGPOBSA-N 1 0 235.305 -0.284 40 0 BBABRO COC(=O)CCS(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000095908546 384404209 /nfs/dbraw/zinc/40/42/09/384404209.db2.gz UTSHBIMOHMODCX-MRVPVSSYSA-N 1 0 235.305 -0.284 40 0 BBABRO COC(=O)CCS(=O)(=O)CC1CC[NH2+]CC1 ZINC000095908550 384407452 /nfs/dbraw/zinc/40/74/52/384407452.db2.gz PMAOVRBSZZZARO-UHFFFAOYSA-N 1 0 249.332 -0.036 40 0 BBABRO COC(=O)CCS(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000095908557 384408721 /nfs/dbraw/zinc/40/87/21/384408721.db2.gz IAFLVBRCGXVVGZ-SECBINFHSA-N 1 0 249.332 -0.036 40 0 BBABRO COC(=O)CCS(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000095908558 384408464 /nfs/dbraw/zinc/40/84/64/384408464.db2.gz IAFLVBRCGXVVGZ-VIFPVBQESA-N 1 0 249.332 -0.036 40 0 BBABRO COC(=O)CS(=O)(=O)CCC1CC[NH2+]CC1 ZINC000095908579 173614745 /nfs/dbraw/zinc/61/47/45/173614745.db2.gz SBHGUJMEHUGGOQ-UHFFFAOYSA-N 1 0 249.332 -0.036 40 0 BBABRO CC(C)(C)OC(=O)NC(=O)[C@@H]1C[NH2+]CCN1 ZINC000095932064 385889022 /nfs/dbraw/zinc/88/90/22/385889022.db2.gz QVRZSGCIHCEJKH-ZETCQYMHSA-N 1 0 229.280 -0.401 40 0 BBABRO CC(C)(C)OC(=O)[C@H](N)[C@]1(O)CC[NH2+]C1 ZINC000096028392 342715132 /nfs/dbraw/zinc/71/51/32/342715132.db2.gz PTGBAGKWVIGATP-XVKPBYJWSA-N 1 0 216.281 -0.620 40 0 BBABRO CC(C)(C)OC(=O)[C@@H](N)[C@]1(O)CC[NH2+]C1 ZINC000096028393 342715080 /nfs/dbraw/zinc/71/50/80/342715080.db2.gz PTGBAGKWVIGATP-XCBNKYQSSA-N 1 0 216.281 -0.620 40 0 BBABRO CC(C)(C)OC(=O)[C@H](N)[C@@]1(O)CC[NH2+]C1 ZINC000096028394 342715201 /nfs/dbraw/zinc/71/52/01/342715201.db2.gz PTGBAGKWVIGATP-OIBJUYFYSA-N 1 0 216.281 -0.620 40 0 BBABRO CC(C)(C)OC(=O)[C@@H](N)[C@@]1(O)CC[NH2+]C1 ZINC000096028395 342715174 /nfs/dbraw/zinc/71/51/74/342715174.db2.gz PTGBAGKWVIGATP-GMSGAONNSA-N 1 0 216.281 -0.620 40 0 BBABRO O=C(Cc1ccccn1)N1CCOC2(C[NH2+]C2)C1 ZINC000096050993 182046495 /nfs/dbraw/zinc/04/64/95/182046495.db2.gz SMLDONDWEUEMDI-UHFFFAOYSA-N 1 0 247.298 -0.175 40 0 BBABRO CC(C)NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000096051001 167069829 /nfs/dbraw/zinc/06/98/29/167069829.db2.gz VRLKRGJDGYTLEZ-UHFFFAOYSA-N 1 0 213.281 -0.221 40 0 BBABRO O=C(N1CCCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000096051002 182079915 /nfs/dbraw/zinc/07/99/15/182079915.db2.gz LLQBXCHDSGKEFI-UHFFFAOYSA-N 1 0 225.292 -0.124 40 0 BBABRO O=C(c1ccncn1)N1C[C@H]2CC[NH2+][C@H]2C1 ZINC000096054077 182690311 /nfs/dbraw/zinc/69/03/11/182690311.db2.gz SCCLWKVRMMEVJI-SCZZXKLOSA-N 1 0 218.260 -0.090 40 0 BBABRO O=C([C@@H]1CCOC1)N1C[C@H]2CC[NH2+][C@H]2C1 ZINC000096054094 182623031 /nfs/dbraw/zinc/62/30/31/182623031.db2.gz AXCFMCVFFAHICO-BBBLOLIVSA-N 1 0 210.277 -0.157 40 0 BBABRO O=C([C@H]1CCOC1)N1C[C@H]2CC[NH2+][C@H]2C1 ZINC000096054095 182640595 /nfs/dbraw/zinc/64/05/95/182640595.db2.gz AXCFMCVFFAHICO-UTLUCORTSA-N 1 0 210.277 -0.157 40 0 BBABRO O=C([C@H]1CCCO1)N1C[C@H]2CC[NH2+][C@H]2C1 ZINC000096054096 387015758 /nfs/dbraw/zinc/01/57/58/387015758.db2.gz SYNKMDJLUSHZFD-KXUCPTDWSA-N 1 0 210.277 -0.014 40 0 BBABRO O=C([C@@H]1CCCO1)N1C[C@H]2CC[NH2+][C@H]2C1 ZINC000096054097 387015243 /nfs/dbraw/zinc/01/52/43/387015243.db2.gz SYNKMDJLUSHZFD-UTLUCORTSA-N 1 0 210.277 -0.014 40 0 BBABRO COC(=O)CCC(=O)N1C[C@H]2CC[NH2+][C@H]2C1 ZINC000096054105 384428087 /nfs/dbraw/zinc/42/80/87/384428087.db2.gz YSOHFUPJACVMRK-BDAKNGLRSA-N 1 0 226.276 -0.240 40 0 BBABRO CN(C)C(=O)CCC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000096054121 188147422 /nfs/dbraw/zinc/14/74/22/188147422.db2.gz DLTIOMPKQRPNOP-VHSXEESVSA-N 1 0 239.319 -0.325 40 0 BBABRO COC(=O)CCC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000096054122 187288844 /nfs/dbraw/zinc/28/88/44/187288844.db2.gz ITJNXUZFZXBQJM-DTWKUNHWSA-N 1 0 226.276 -0.240 40 0 BBABRO O=C(Cc1ccccn1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000096054456 182046094 /nfs/dbraw/zinc/04/60/94/182046094.db2.gz ZFMYQQBUJDVABB-NWDGAFQWSA-N 1 0 247.298 -0.177 40 0 BBABRO O=C(c1ccc[nH]1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000096054457 384428235 /nfs/dbraw/zinc/42/82/35/384428235.db2.gz SCVUUXPFQYCYST-VHSXEESVSA-N 1 0 221.260 -0.173 40 0 BBABRO O=C(C1CCC1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000096054464 385896580 /nfs/dbraw/zinc/89/65/80/385896580.db2.gz HMUSTHUWSRAKMQ-VHSXEESVSA-N 1 0 210.277 -0.014 40 0 BBABRO O=C(C(F)F)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000096054465 181854485 /nfs/dbraw/zinc/85/44/85/181854485.db2.gz POOJPLLBTAAYIC-NTSWFWBYSA-N 1 0 206.192 -0.549 40 0 BBABRO COCCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000096054468 174124626 /nfs/dbraw/zinc/12/46/26/174124626.db2.gz BNPVUTDMMZPGSO-DTWKUNHWSA-N 1 0 214.265 -0.778 40 0 BBABRO O=C(N1CCOCC1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000096054471 182081904 /nfs/dbraw/zinc/08/19/04/182081904.db2.gz LYTSAZMESCSNDX-VHSXEESVSA-N 1 0 241.291 -0.889 40 0 BBABRO O=C([C@H]1CCCO1)N1C[C@@H]2CC[NH2+]C[C@@H]21 ZINC000096056680 384429157 /nfs/dbraw/zinc/42/91/57/384429157.db2.gz AMMVCODHFUXWRM-LPEHRKFASA-N 1 0 210.277 -0.014 40 0 BBABRO O=C([C@@H]1CCCO1)N1C[C@@H]2CC[NH2+]C[C@@H]21 ZINC000096056681 384432374 /nfs/dbraw/zinc/43/23/74/384432374.db2.gz AMMVCODHFUXWRM-GUBZILKMSA-N 1 0 210.277 -0.014 40 0 BBABRO CN(C)C(=O)CCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000096058531 187288484 /nfs/dbraw/zinc/28/84/84/187288484.db2.gz QJAOHONBGHAHQT-IUCAKERBSA-N 1 0 225.292 -0.573 40 0 BBABRO CS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000096058554 175428279 /nfs/dbraw/zinc/42/82/79/175428279.db2.gz GIQRXGMYYKSWAF-SFYZADRCSA-N 1 0 204.295 -0.228 40 0 BBABRO CS(=O)(=O)N1CCC[C@]2(C[NH2+]CCO2)C1 ZINC000096074957 384432580 /nfs/dbraw/zinc/43/25/80/384432580.db2.gz XCZNOXZYFIRHHD-VIFPVBQESA-N 1 0 234.321 -0.600 40 0 BBABRO CS(=O)(=O)N1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC000096074958 384431597 /nfs/dbraw/zinc/43/15/97/384431597.db2.gz XCZNOXZYFIRHHD-SECBINFHSA-N 1 0 234.321 -0.600 40 0 BBABRO Cn1cc(N2C[C@@H]3C[NH2+]C[C@@H]3C2=O)cn1 ZINC000096080772 384433981 /nfs/dbraw/zinc/43/39/81/384433981.db2.gz NVYQNKMKZWCGIN-CBAPKCEASA-N 1 0 206.249 -0.398 40 0 BBABRO O=C(c1cccnc1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000096081797 384434602 /nfs/dbraw/zinc/43/46/02/384434602.db2.gz HPFDPRYUJGUOBK-WDEREUQCSA-N 1 0 233.271 -0.106 40 0 BBABRO [NH3+]C[C@H]1Cn2nnc(-c3cncnc3)c2CO1 ZINC000096087223 387018422 /nfs/dbraw/zinc/01/84/22/387018422.db2.gz FTOBCIQULCXXHQ-QMMMGPOBSA-N 1 0 232.247 -0.407 40 0 BBABRO [NH3+]C[C@@H]1Cn2nnc(-c3cncnc3)c2CO1 ZINC000096087224 387018168 /nfs/dbraw/zinc/01/81/68/387018168.db2.gz FTOBCIQULCXXHQ-MRVPVSSYSA-N 1 0 232.247 -0.407 40 0 BBABRO CS(=O)(=O)N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC000096107882 384434857 /nfs/dbraw/zinc/43/48/57/384434857.db2.gz QWYTVWYPWLIEPA-DTWKUNHWSA-N 1 0 234.321 -0.553 40 0 BBABRO C[N@@H+]1C[C@@H]2COC[C@]2(CNS(C)(=O)=O)C1 ZINC000096108344 173189540 /nfs/dbraw/zinc/18/95/40/173189540.db2.gz MSVKNFAJEGWJNZ-BDAKNGLRSA-N 1 0 234.321 -0.886 40 0 BBABRO O=S(=O)(NC[C@@]12C[NH2+]C[C@@H]1COC2)C1CC1 ZINC000096108388 384434910 /nfs/dbraw/zinc/43/49/10/384434910.db2.gz WWPXPYXCCSCSPQ-PSASIEDQSA-N 1 0 246.332 -0.696 40 0 BBABRO O=C(NCc1ccccn1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC000096110101 182259997 /nfs/dbraw/zinc/25/99/97/182259997.db2.gz RREOISKRXKUGRS-ZWNOBZJWSA-N 1 0 247.298 -0.066 40 0 BBABRO CN(C)C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC000096157253 172354427 /nfs/dbraw/zinc/35/44/27/172354427.db2.gz ATZUUNHKJDSNOI-UHFFFAOYSA-N 1 0 211.265 -0.027 40 0 BBABRO CN(C)C(=O)N[C@H]1C[NH2+][C@@H]2CCCO[C@@H]21 ZINC000096186849 172382322 /nfs/dbraw/zinc/38/23/22/172382322.db2.gz DWUKGDSBDSPHOK-VGMNWLOBSA-N 1 0 213.281 -0.223 40 0 BBABRO CS(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000096203052 386590531 /nfs/dbraw/zinc/59/05/31/386590531.db2.gz LLGZOTAWGFNEQO-QMMMGPOBSA-N 1 0 204.295 -0.226 40 0 BBABRO CS(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000096203053 386590450 /nfs/dbraw/zinc/59/04/50/386590450.db2.gz LLGZOTAWGFNEQO-MRVPVSSYSA-N 1 0 204.295 -0.226 40 0 BBABRO COCCNC(=O)C[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC000096206998 174322490 /nfs/dbraw/zinc/32/24/90/174322490.db2.gz VRZFETNTTSTUMH-GMTAPVOTSA-N 1 0 242.319 -0.236 40 0 BBABRO CS(=O)(=O)NC[C@@H]1CCC[C@]2(CC[NH2+]C2)O1 ZINC000096206999 384443277 /nfs/dbraw/zinc/44/32/77/384443277.db2.gz BIPFQQASRHKIBL-VHSXEESVSA-N 1 0 248.348 -0.163 40 0 BBABRO CS(=O)(=O)NC[C@H]1CCC[C@]2(CC[NH2+]C2)O1 ZINC000096208428 384443524 /nfs/dbraw/zinc/44/35/24/384443524.db2.gz BIPFQQASRHKIBL-NXEZZACHSA-N 1 0 248.348 -0.163 40 0 BBABRO O=C(N1CCCO1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC000096208819 182080959 /nfs/dbraw/zinc/08/09/59/182080959.db2.gz BHJLIAWWHRUJES-PSASIEDQSA-N 1 0 212.249 -0.614 40 0 BBABRO CCS(=O)(=O)N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC000096215415 384443251 /nfs/dbraw/zinc/44/32/51/384443251.db2.gz HUROXUTVPADEOE-VHSXEESVSA-N 1 0 248.348 -0.163 40 0 BBABRO O=C(C[C@@H]1C[C@H]2C[NH2+]C[C@H]2O1)N1CCC1 ZINC000096215587 182023725 /nfs/dbraw/zinc/02/37/25/182023725.db2.gz SGAAGMWFRIRQDI-LPEHRKFASA-N 1 0 210.277 -0.014 40 0 BBABRO CS(=O)(=O)N[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000096224810 387020745 /nfs/dbraw/zinc/02/07/45/387020745.db2.gz GYESBTHHVHDFOX-MRVPVSSYSA-N 1 0 234.321 -0.553 40 0 BBABRO CS(=O)(=O)N[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000096224811 387019589 /nfs/dbraw/zinc/01/95/89/387019589.db2.gz GYESBTHHVHDFOX-QMMMGPOBSA-N 1 0 234.321 -0.553 40 0 BBABRO CN(C)C(=O)CN1CCC[C@]2(C[NH2+]CCO2)C1 ZINC000096226758 172364852 /nfs/dbraw/zinc/36/48/52/172364852.db2.gz NMZVEZVIDDIYMN-LBPRGKRZSA-N 1 0 241.335 -0.471 40 0 BBABRO CN(C)C(=O)CN1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC000096226759 172365842 /nfs/dbraw/zinc/36/58/42/172365842.db2.gz NMZVEZVIDDIYMN-GFCCVEGCSA-N 1 0 241.335 -0.471 40 0 BBABRO CNC(=O)CN1CCCC12CC[NH2+]CC2 ZINC000096227919 173273677 /nfs/dbraw/zinc/27/36/77/173273677.db2.gz SPDNTWGXVXHPKN-UHFFFAOYSA-N 1 0 211.309 -0.050 40 0 BBABRO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCOCC1 ZINC000096228642 387022492 /nfs/dbraw/zinc/02/24/92/387022492.db2.gz WOSXXNANUBXBHB-KOLCDFICSA-N 1 0 210.277 -0.155 40 0 BBABRO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCOCC1 ZINC000096228643 387022037 /nfs/dbraw/zinc/02/20/37/387022037.db2.gz WOSXXNANUBXBHB-MWLCHTKSSA-N 1 0 210.277 -0.155 40 0 BBABRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCOCC1 ZINC000096228644 182629380 /nfs/dbraw/zinc/62/93/80/182629380.db2.gz WOSXXNANUBXBHB-ONGXEEELSA-N 1 0 210.277 -0.155 40 0 BBABRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCOCC1 ZINC000096228645 387021484 /nfs/dbraw/zinc/02/14/84/387021484.db2.gz WOSXXNANUBXBHB-GXSJLCMTSA-N 1 0 210.277 -0.155 40 0 BBABRO CC(=O)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000096228935 188147903 /nfs/dbraw/zinc/14/79/03/188147903.db2.gz SHCLSRRBDSLONC-JTQLQIEISA-N 1 0 214.265 -0.776 40 0 BBABRO CC(C)C(=O)N1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC000096228936 384447242 /nfs/dbraw/zinc/44/72/42/384447242.db2.gz ANVKPCMZKPDXTC-GFCCVEGCSA-N 1 0 242.319 -0.140 40 0 BBABRO CC(C)C(=O)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000096228937 384445646 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BBABRO CCN1C[C@@]23C[NH2+]C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC000096264047 170032916 /nfs/dbraw/zinc/03/29/16/170032916.db2.gz KYRHHXKLBXXULO-VGMNWLOBSA-N 1 0 232.305 -0.849 40 0 BBABRO CC(=O)NC[C@H]1OC[C@@H]([NH2+]C2CCC2)[C@@H]1O ZINC000096296077 188364846 /nfs/dbraw/zinc/36/48/46/188364846.db2.gz SJHBIBWCKVQUAW-MXWKQRLJSA-N 1 0 228.292 -0.607 40 0 biogenic,in-vitro BBABRO CC(=O)NC[C@H]1OC[C@@H]([NH2+]CC(C)(C)C)[C@@H]1O ZINC000096296080 188544500 /nfs/dbraw/zinc/54/45/00/188544500.db2.gz ZMWNNAZKEXOETB-MXWKQRLJSA-N 1 0 244.335 -0.114 40 0 biogenic,in-vitro BBABRO O=C(COC1CC2(C[NH2+]C2)C1)N1CCOCC1 ZINC000096509075 385239152 /nfs/dbraw/zinc/23/91/52/385239152.db2.gz ZJTXKLCARMTBDZ-UHFFFAOYSA-N 1 0 240.303 -0.386 40 0 BBABRO [NH3+]C[C@@]1(N2CCOCC2)[C@H]2CCC[C@]21CO ZINC000096509095 385238023 /nfs/dbraw/zinc/23/80/23/385238023.db2.gz FPINOPAJUVXPQB-SDDRHHMPSA-N 1 0 226.320 -0.192 40 0 BBABRO CC(C)S(=O)(=O)N1CC2(C[NH2+]C2)C1 ZINC000096509130 167318844 /nfs/dbraw/zinc/31/88/44/167318844.db2.gz UGDDIOLVOZBLSK-UHFFFAOYSA-N 1 0 204.295 -0.370 40 0 BBABRO CCCS(=O)(=O)N1CC2(C[NH2+]C2)C1 ZINC000096509131 169330778 /nfs/dbraw/zinc/33/07/78/169330778.db2.gz VMJXMAZULAUYPI-UHFFFAOYSA-N 1 0 204.295 -0.369 40 0 BBABRO [NH3+]CC(=O)N1CCc2c(nnn2C2CC2)C1 ZINC000096511400 181349280 /nfs/dbraw/zinc/34/92/80/181349280.db2.gz QQHVJRXWXUQJKU-UHFFFAOYSA-N 1 0 221.264 -0.544 40 0 BBABRO O=C1N[C@]2(CC[NH2+]C2)C(=O)N1CC1CC1 ZINC000096515969 182822248 /nfs/dbraw/zinc/82/22/48/182822248.db2.gz OGPZZSONLAXTKC-JTQLQIEISA-N 1 0 209.249 -0.320 40 0 BBABRO O=C1N[C@@]2(CC[NH2+]C2)C(=O)N1CC1CC1 ZINC000096515970 182819395 /nfs/dbraw/zinc/81/93/95/182819395.db2.gz OGPZZSONLAXTKC-SNVBAGLBSA-N 1 0 209.249 -0.320 40 0 BBABRO Cc1cc(=O)n2nc(N3CC[NH2+]CC3)[nH]c2n1 ZINC000096516049 385258682 /nfs/dbraw/zinc/25/86/82/385258682.db2.gz SMNUORZJQVTEMB-UHFFFAOYSA-N 1 0 234.263 -0.864 40 0 BBABRO Cc1cc(=O)n2nc(N3CCC([NH3+])CC3)[nH]c2n1 ZINC000096516054 385257486 /nfs/dbraw/zinc/25/74/86/385257486.db2.gz MINGJKHUJJEEML-UHFFFAOYSA-N 1 0 248.290 -0.346 40 0 BBABRO O=C(c1n[nH]c2c1C[NH2+]C2)N1CCOCC1 ZINC000096516097 384464609 /nfs/dbraw/zinc/46/46/09/384464609.db2.gz IHNFKPMVIALFGY-UHFFFAOYSA-N 1 0 222.248 -0.515 40 0 BBABRO CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000096516247 170104716 /nfs/dbraw/zinc/10/47/16/170104716.db2.gz WQQHRBFJGFNSRW-MRVPVSSYSA-N 1 0 223.280 -0.048 40 0 BBABRO CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000096516248 170104460 /nfs/dbraw/zinc/10/44/60/170104460.db2.gz WQQHRBFJGFNSRW-QMMMGPOBSA-N 1 0 223.280 -0.048 40 0 BBABRO CCOC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000096516277 170300607 /nfs/dbraw/zinc/30/06/07/170300607.db2.gz QSLPYAKEGVNUGZ-SSDOTTSWSA-N 1 0 210.237 -0.011 40 0 BBABRO CCOC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000096516278 170300819 /nfs/dbraw/zinc/30/08/19/170300819.db2.gz QSLPYAKEGVNUGZ-ZETCQYMHSA-N 1 0 210.237 -0.011 40 0 BBABRO CCNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000096516279 170104376 /nfs/dbraw/zinc/10/43/76/170104376.db2.gz 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ONEUKIAGVLXJJM-ZETCQYMHSA-N 1 0 243.288 -0.903 40 0 BBABRO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc[nH]c2=O)C1 ZINC000096516514 385258990 /nfs/dbraw/zinc/25/89/90/385258990.db2.gz ONEUKIAGVLXJJM-SSDOTTSWSA-N 1 0 243.288 -0.903 40 0 BBABRO Cc1cc(=O)n(C)c(N2CC[NH2+]CC2)n1 ZINC000096516679 385260686 /nfs/dbraw/zinc/26/06/86/385260686.db2.gz JUKIEUDJQYPMGJ-UHFFFAOYSA-N 1 0 208.265 -0.502 40 0 BBABRO Cc1cc(=O)n(C)c(N2CC[C@H]([NH3+])C2)n1 ZINC000096516696 384466081 /nfs/dbraw/zinc/46/60/81/384466081.db2.gz FVAQGBMHBDZTPP-QMMMGPOBSA-N 1 0 208.265 -0.374 40 0 BBABRO Cc1cc(=O)n(C)c(N2CC[C@@H]([NH3+])C2)n1 ZINC000096516698 385262004 /nfs/dbraw/zinc/26/20/04/385262004.db2.gz FVAQGBMHBDZTPP-MRVPVSSYSA-N 1 0 208.265 -0.374 40 0 BBABRO COCc1cc(=O)[nH]c(N2CCC[C@H]([NH3+])C2)n1 ZINC000096516723 385261683 /nfs/dbraw/zinc/26/16/83/385261683.db2.gz ALBSOLRFQYLPKO-QMMMGPOBSA-N 1 0 238.291 -0.156 40 0 BBABRO COCc1cc(=O)[nH]c(N2CCC[C@@H]([NH3+])C2)n1 ZINC000096516724 385261700 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PLCZCAYDLHODJT-UHFFFAOYSA-N 1 0 236.279 -0.157 40 0 BBABRO Cn1ccc(C[NH2+]CCN2CCOCC2)n1 ZINC000096524391 384464846 /nfs/dbraw/zinc/46/48/46/384464846.db2.gz VEOLWQRYKKYGAP-UHFFFAOYSA-N 1 0 224.308 -0.158 40 0 BBABRO CS(=O)(=O)[C@@H](CO)[C@H]([NH3+])c1ccc(N)cc1 ZINC000096525041 385276999 /nfs/dbraw/zinc/27/69/99/385276999.db2.gz CJQMEDKNSKPOOS-VHSXEESVSA-N 1 0 244.316 -0.326 40 0 BBABRO CS(=O)(=O)[C@H](CO)[C@H]([NH3+])c1ccc(N)cc1 ZINC000096525043 385277483 /nfs/dbraw/zinc/27/74/83/385277483.db2.gz CJQMEDKNSKPOOS-NXEZZACHSA-N 1 0 244.316 -0.326 40 0 BBABRO CS(=O)(=O)[C@@H](CO)[C@@H]([NH3+])c1ccc(N)cc1 ZINC000096525045 385278006 /nfs/dbraw/zinc/27/80/06/385278006.db2.gz CJQMEDKNSKPOOS-UWVGGRQHSA-N 1 0 244.316 -0.326 40 0 BBABRO CS(=O)(=O)[C@H](CO)[C@@H]([NH3+])c1ccc(N)cc1 ZINC000096525047 385277872 /nfs/dbraw/zinc/27/78/72/385277872.db2.gz CJQMEDKNSKPOOS-ZJUUUORDSA-N 1 0 244.316 -0.326 40 0 BBABRO CS(=O)(=O)[C@@H](CO)[C@H]([NH3+])c1cccc(N)c1 ZINC000096525056 385276975 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CC(C)(C)[C@@H]([NH3+])[C@H](CO)S(C)(=O)=O ZINC000096525138 385278365 /nfs/dbraw/zinc/27/83/65/385278365.db2.gz CXIQLJLVEWKFBJ-BQBZGAKWSA-N 1 0 209.311 -0.235 40 0 BBABRO CCS(=O)(=O)[C@@H](CO)[C@H]([NH3+])C1CC1 ZINC000096525307 385277712 /nfs/dbraw/zinc/27/77/12/385277712.db2.gz UUCHMIZKAKLRCN-JGVFFNPUSA-N 1 0 207.295 -0.481 40 0 BBABRO CCS(=O)(=O)[C@H](CO)[C@H]([NH3+])C1CC1 ZINC000096525310 385276745 /nfs/dbraw/zinc/27/67/45/385276745.db2.gz UUCHMIZKAKLRCN-HTQZYQBOSA-N 1 0 207.295 -0.481 40 0 BBABRO CCS(=O)(=O)[C@@H](CO)[C@@H]([NH3+])C1CC1 ZINC000096525313 385278071 /nfs/dbraw/zinc/27/80/71/385278071.db2.gz UUCHMIZKAKLRCN-YUMQZZPRSA-N 1 0 207.295 -0.481 40 0 BBABRO CCS(=O)(=O)[C@H](CO)[C@@H]([NH3+])C1CC1 ZINC000096525316 385278134 /nfs/dbraw/zinc/27/81/34/385278134.db2.gz UUCHMIZKAKLRCN-SFYZADRCSA-N 1 0 207.295 -0.481 40 0 BBABRO COC[C@]1(C[NH3+])C[C@@H]1CS(C)(=O)=O ZINC000096525572 385278892 /nfs/dbraw/zinc/27/88/92/385278892.db2.gz GXYVKSTWFSNIPL-HTQZYQBOSA-N 1 0 207.295 -0.358 40 0 BBABRO COC[C@@]1(C[NH3+])C[C@@H]1CS(C)(=O)=O ZINC000096525574 174523808 /nfs/dbraw/zinc/52/38/08/174523808.db2.gz GXYVKSTWFSNIPL-SFYZADRCSA-N 1 0 207.295 -0.358 40 0 BBABRO COC[C@]1(C[NH3+])C[C@H]1CS(C)(=O)=O ZINC000096525576 174617145 /nfs/dbraw/zinc/61/71/45/174617145.db2.gz GXYVKSTWFSNIPL-JGVFFNPUSA-N 1 0 207.295 -0.358 40 0 BBABRO COC[C@@]1(C[NH3+])C[C@H]1CS(C)(=O)=O ZINC000096525579 385278444 /nfs/dbraw/zinc/27/84/44/385278444.db2.gz GXYVKSTWFSNIPL-YUMQZZPRSA-N 1 0 207.295 -0.358 40 0 BBABRO [NH3+]CCn1cc(C(=O)NCC2CC2)cn1 ZINC000096528575 385274869 /nfs/dbraw/zinc/27/48/69/385274869.db2.gz GEAATAGVOQZWCH-UHFFFAOYSA-N 1 0 208.265 -0.018 40 0 BBABRO COCCNC(=O)c1cnn(CC[NH3+])c1 ZINC000096528586 174329570 /nfs/dbraw/zinc/32/95/70/174329570.db2.gz ZEMDNKBQKACAHO-UHFFFAOYSA-N 1 0 212.253 -0.782 40 0 BBABRO [NH3+]CCn1cc(C(=O)NC[C@@H]2CCCO2)cn1 ZINC000096528590 385275184 /nfs/dbraw/zinc/27/51/84/385275184.db2.gz ZJVFHMWQHDZBAD-JTQLQIEISA-N 1 0 238.291 -0.249 40 0 BBABRO [NH3+]CCn1cc(C(=O)NC[C@H]2CCCO2)cn1 ZINC000096528591 385274885 /nfs/dbraw/zinc/27/48/85/385274885.db2.gz ZJVFHMWQHDZBAD-SNVBAGLBSA-N 1 0 238.291 -0.249 40 0 BBABRO COC(=O)c1cn(CC2(O)CC[NH2+]CC2)nn1 ZINC000096530290 173904080 /nfs/dbraw/zinc/90/40/80/173904080.db2.gz IJBBKVMSAITPHQ-UHFFFAOYSA-N 1 0 240.263 -0.821 40 0 BBABRO COCCN1CC2(CC[NH2+]CC2)OCC1=O ZINC000096531514 174303663 /nfs/dbraw/zinc/30/36/63/174303663.db2.gz QSOUDBSVKROJCD-UHFFFAOYSA-N 1 0 228.292 -0.386 40 0 BBABRO C[C@@H]1C[C@H](CO)C[C@@]1(C[NH3+])S(C)(=O)=O ZINC000096532276 385283066 /nfs/dbraw/zinc/28/30/66/385283066.db2.gz CWPULGIDNCIZJR-VGMNWLOBSA-N 1 0 221.322 -0.233 40 0 BBABRO C[C@H]1C[C@H](CO)C[C@@]1(C[NH3+])S(C)(=O)=O ZINC000096532278 177363219 /nfs/dbraw/zinc/36/32/19/177363219.db2.gz CWPULGIDNCIZJR-CIUDSAMLSA-N 1 0 221.322 -0.233 40 0 BBABRO C[C@@H]1C[C@@H](CO)C[C@@]1(C[NH3+])S(C)(=O)=O ZINC000096532280 176370140 /nfs/dbraw/zinc/37/01/40/176370140.db2.gz CWPULGIDNCIZJR-HLTSFMKQSA-N 1 0 221.322 -0.233 40 0 BBABRO C[C@H]1C[C@@H](CO)C[C@@]1(C[NH3+])S(C)(=O)=O ZINC000096532282 177325312 /nfs/dbraw/zinc/32/53/12/177325312.db2.gz CWPULGIDNCIZJR-YIZRAAEISA-N 1 0 221.322 -0.233 40 0 BBABRO C[C@@H]1C[C@H](S(C)(=O)=O)C[C@@]1(C[NH3+])CO ZINC000096532456 176429752 /nfs/dbraw/zinc/42/97/52/176429752.db2.gz HPZNYBZUQICYIE-HRDYMLBCSA-N 1 0 221.322 -0.233 40 0 BBABRO C[C@H]1C[C@H](S(C)(=O)=O)C[C@@]1(C[NH3+])CO ZINC000096532458 177374829 /nfs/dbraw/zinc/37/48/29/177374829.db2.gz HPZNYBZUQICYIE-XHNCKOQMSA-N 1 0 221.322 -0.233 40 0 BBABRO C[C@@H]1C[C@@H](S(C)(=O)=O)C[C@@]1(C[NH3+])CO ZINC000096532460 176383634 /nfs/dbraw/zinc/38/36/34/176383634.db2.gz HPZNYBZUQICYIE-IWSPIJDZSA-N 1 0 221.322 -0.233 40 0 BBABRO C[C@H]1C[C@@H](S(C)(=O)=O)C[C@@]1(C[NH3+])CO ZINC000096532462 177338375 /nfs/dbraw/zinc/33/83/75/177338375.db2.gz HPZNYBZUQICYIE-DJLDLDEBSA-N 1 0 221.322 -0.233 40 0 BBABRO CC(C)(C)OC(=O)NC1(CO)C[NH2+]C1 ZINC000098214081 386683432 /nfs/dbraw/zinc/68/34/32/386683432.db2.gz MXXKYIKWBMZZTR-UHFFFAOYSA-N 1 0 202.254 -0.155 40 0 BBABRO C[C@]1(SC(N)=[NH2+])CS(=O)(=O)C[C@]1(C)O ZINC000100848102 383899713 /nfs/dbraw/zinc/89/97/13/383899713.db2.gz CPYFHKXGZWGCEJ-BQBZGAKWSA-N 1 0 238.334 -0.449 40 0 BBABRO C[C@@]1(O)CS(=O)(=O)C[C@]1(C)SC(N)=[NH2+] ZINC000100848103 383899111 /nfs/dbraw/zinc/89/91/11/383899111.db2.gz CPYFHKXGZWGCEJ-RQJHMYQMSA-N 1 0 238.334 -0.449 40 0 BBABRO c1ncc(O[C@@H]2C[C@@H]3C[NH2+]CCN3C2)cn1 ZINC000101186254 398035995 /nfs/dbraw/zinc/03/59/95/398035995.db2.gz BTUCSXBRPMEROR-NXEZZACHSA-N 1 0 220.276 -0.099 40 0 BBABRO c1ncc(O[C@H]2C[C@@H]3C[NH2+]CCN3C2)cn1 ZINC000101186256 183547268 /nfs/dbraw/zinc/54/72/68/183547268.db2.gz BTUCSXBRPMEROR-ZJUUUORDSA-N 1 0 220.276 -0.099 40 0 BBABRO c1ncc(O[C@@H]2C[C@H]3C[NH2+]CCN3C2)cn1 ZINC000101186258 183547203 /nfs/dbraw/zinc/54/72/03/183547203.db2.gz BTUCSXBRPMEROR-VHSXEESVSA-N 1 0 220.276 -0.099 40 0 BBABRO c1ncc(O[C@H]2C[C@H]3C[NH2+]CCN3C2)cn1 ZINC000101186261 398035868 /nfs/dbraw/zinc/03/58/68/398035868.db2.gz 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/nfs/dbraw/zinc/33/79/80/368337980.db2.gz WNYYMPICYAOQAE-BZNPZCIMSA-N 1 0 217.265 -0.385 40 0 BBABRO CS(=O)(=O)NCc1cnc2n1CC[NH2+]CC2 ZINC000106693237 388615858 /nfs/dbraw/zinc/61/58/58/388615858.db2.gz XYJNQYXUMVHJMO-UHFFFAOYSA-N 1 0 244.320 -0.922 40 0 BBABRO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2C[NH2+]1 ZINC000106806705 388616408 /nfs/dbraw/zinc/61/64/08/388616408.db2.gz XUICXRIWCMXVFJ-SECBINFHSA-N 1 0 248.290 -0.203 40 0 BBABRO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2C[NH2+]1 ZINC000106806708 174519282 /nfs/dbraw/zinc/51/92/82/174519282.db2.gz XUICXRIWCMXVFJ-VIFPVBQESA-N 1 0 248.290 -0.203 40 0 BBABRO [NH3+]CCN1CCC([NH+]2CCOCC2)CC1 ZINC000107215452 343785700 /nfs/dbraw/zinc/78/57/00/343785700.db2.gz YWWRAYRVWALOBC-UHFFFAOYSA-N 1 0 213.325 -0.258 40 0 BBABRO COCCNC(=O)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107254075 174326822 /nfs/dbraw/zinc/32/68/22/174326822.db2.gz IIPCLDUTGPHXPF-OWUUHHOZSA-N 1 0 212.293 -0.005 40 0 BBABRO CN(C)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000107491435 172379570 /nfs/dbraw/zinc/37/95/70/172379570.db2.gz YNYXMVDJPYCZPH-LPEHRKFASA-N 1 0 227.308 -0.118 40 0 BBABRO C[NH+]1CCN(Cc2cn3c(n2)CNCC3)CC1 ZINC000107491950 173089858 /nfs/dbraw/zinc/08/98/58/173089858.db2.gz AAPZAELHBIYZQX-UHFFFAOYSA-N 1 0 235.335 -0.266 40 0 BBABRO COCCNC(=O)[C@@H]1C[C@H]2[NH2+]CC[C@H]2O1 ZINC000107492449 174326363 /nfs/dbraw/zinc/32/63/63/174326363.db2.gz WTLKTYFAHGAZDR-HLTSFMKQSA-N 1 0 214.265 -0.732 40 0 BBABRO O=C([C@H]1C[C@H]2[NH2+]CC[C@H]2O1)N1CCOCC1 ZINC000107500238 384972170 /nfs/dbraw/zinc/97/21/70/384972170.db2.gz HGHDFPDIFAHECQ-OPRDCNLKSA-N 1 0 226.276 -0.635 40 0 BBABRO [NH3+][C@H]1CCCC[C@H]1n1ccc(=O)[nH]c1=O ZINC000108320962 343786197 /nfs/dbraw/zinc/78/61/97/343786197.db2.gz NQDZFDXEBPCXRS-JGVFFNPUSA-N 1 0 209.249 -0.021 40 0 BBABRO [NH3+][C@H]1CCCC[C@@H]1n1ccc(=O)[nH]c1=O ZINC000108320964 343786097 /nfs/dbraw/zinc/78/60/97/343786097.db2.gz NQDZFDXEBPCXRS-YUMQZZPRSA-N 1 0 209.249 -0.021 40 0 BBABRO [NH3+][C@@H]1CCCC[C@H]1n1ccc(=O)[nH]c1=O ZINC000108320967 343786307 /nfs/dbraw/zinc/78/63/07/343786307.db2.gz NQDZFDXEBPCXRS-HTQZYQBOSA-N 1 0 209.249 -0.021 40 0 BBABRO [NH3+][C@@H]1CCCC[C@@H]1n1ccc(=O)[nH]c1=O ZINC000108320968 343786357 /nfs/dbraw/zinc/78/63/57/343786357.db2.gz NQDZFDXEBPCXRS-SFYZADRCSA-N 1 0 209.249 -0.021 40 0 BBABRO C[C@@H]1[NH2+]C[C@H]2C[C@@H]1CN(S(C)(=O)=O)C2 ZINC000109325067 176462497 /nfs/dbraw/zinc/46/24/97/176462497.db2.gz GBAMTDPHDZVVCD-DJLDLDEBSA-N 1 0 218.322 -0.124 40 0 BBABRO C[C@H]1[NH2+]C[C@H]2C[C@@H]1CN(S(C)(=O)=O)C2 ZINC000109325071 490270229 /nfs/dbraw/zinc/27/02/29/490270229.db2.gz GBAMTDPHDZVVCD-IWSPIJDZSA-N 1 0 218.322 -0.124 40 0 BBABRO O=c1cccnn1C[C@@H]1C[NH2+]Cc2nccn2C1 ZINC000109670906 183003859 /nfs/dbraw/zinc/00/38/59/183003859.db2.gz IHDWBRKJVFADIG-SNVBAGLBSA-N 1 0 245.286 -0.141 40 0 BBABRO O=c1cccnn1C[C@H]1C[NH2+]Cc2nccn2C1 ZINC000109670909 183003985 /nfs/dbraw/zinc/00/39/85/183003985.db2.gz IHDWBRKJVFADIG-JTQLQIEISA-N 1 0 245.286 -0.141 40 0 BBABRO O=C1CCCN1Cc1nnc2n1CCC[NH2+]C2 ZINC000109723283 388616790 /nfs/dbraw/zinc/61/67/90/388616790.db2.gz BZESZELQMYILMM-UHFFFAOYSA-N 1 0 235.291 -0.106 40 0 BBABRO CCc1cc(=O)n2nc(N3CC[NH2+]CC3)[nH]c2n1 ZINC000110755364 398300935 /nfs/dbraw/zinc/30/09/35/398300935.db2.gz MTLQXFGMYDUFJS-UHFFFAOYSA-N 1 0 248.290 -0.610 40 0 BBABRO CCc1cc(=O)n2nc(N3CC[C@H]([NH3+])C3)[nH]c2n1 ZINC000110755397 398300895 /nfs/dbraw/zinc/30/08/95/398300895.db2.gz MDEUFYGACUOLNB-ZETCQYMHSA-N 1 0 248.290 -0.483 40 0 BBABRO CCc1cc(=O)n2nc(N3CC[C@@H]([NH3+])C3)[nH]c2n1 ZINC000110755401 398300776 /nfs/dbraw/zinc/30/07/76/398300776.db2.gz MDEUFYGACUOLNB-SSDOTTSWSA-N 1 0 248.290 -0.483 40 0 BBABRO COC(=O)c1cnn2c1[nH]c1c(c2=O)C[NH2+]CC1 ZINC000110756217 398300833 /nfs/dbraw/zinc/30/08/33/398300833.db2.gz BSWFRPYJIQRMQM-UHFFFAOYSA-N 1 0 248.242 -0.545 40 0 BBABRO C[C@@H]1C[C@@H](CO)C[C@]1(C[NH3+])S(C)(=O)=O ZINC000110770615 369978171 /nfs/dbraw/zinc/97/81/71/369978171.db2.gz CWPULGIDNCIZJR-IWSPIJDZSA-N 1 0 221.322 -0.233 40 0 BBABRO C[C@@H]1C[C@H](CO)C[C@]1(C[NH3+])S(C)(=O)=O ZINC000110770618 369978185 /nfs/dbraw/zinc/97/81/85/369978185.db2.gz CWPULGIDNCIZJR-HRDYMLBCSA-N 1 0 221.322 -0.233 40 0 BBABRO Cc1[nH+]c(CS(C)(=O)=O)c(N)n1C ZINC000110771128 388650125 /nfs/dbraw/zinc/65/01/25/388650125.db2.gz ZCQAPKQIACWOTN-UHFFFAOYSA-N 1 0 203.267 -0.145 40 0 BBABRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)OCC ZINC000114709833 170259073 /nfs/dbraw/zinc/25/90/73/170259073.db2.gz TZVXAGZGBHPRMV-HTQZYQBOSA-N 1 0 215.249 -0.052 40 0 BBABRO CN1CCN(c2ccnc(NCC[NH3+])n2)CC1 ZINC000115207912 355987932 /nfs/dbraw/zinc/98/79/32/355987932.db2.gz AZLLIUMAYKEJMO-UHFFFAOYSA-N 1 0 236.323 -0.401 40 0 BBABRO [NH3+]CCNc1nccc(N2CCOCC2)n1 ZINC000115208742 355987662 /nfs/dbraw/zinc/98/76/62/355987662.db2.gz HFUUAQIAZSXHCQ-UHFFFAOYSA-N 1 0 223.280 -0.316 40 0 BBABRO O=C([C@@H]1CC[NH2+]C1)N1CC(F)(F)C[C@H]1CO ZINC000118154649 359854728 /nfs/dbraw/zinc/85/47/28/359854728.db2.gz XXWKIJODRXLIQG-SFYZADRCSA-N 1 0 234.246 -0.176 40 0 BBABRO O=C([C@@H]1CC[NH2+]C1)N1CC(F)(F)C[C@@H]1CO ZINC000118161602 343786871 /nfs/dbraw/zinc/78/68/71/343786871.db2.gz XXWKIJODRXLIQG-HTQZYQBOSA-N 1 0 234.246 -0.176 40 0 BBABRO O=C([C@H]1CC[NH2+]C1)N1CC(F)(F)C[C@H]1CO ZINC000118161604 343786650 /nfs/dbraw/zinc/78/66/50/343786650.db2.gz XXWKIJODRXLIQG-YUMQZZPRSA-N 1 0 234.246 -0.176 40 0 BBABRO O=C([C@H]1CC[NH2+]C1)N1CC(F)(F)C[C@@H]1CO ZINC000118161605 343786665 /nfs/dbraw/zinc/78/66/65/343786665.db2.gz XXWKIJODRXLIQG-JGVFFNPUSA-N 1 0 234.246 -0.176 40 0 BBABRO CN(Cc1cncn1C)CC(C)(CO)CO ZINC000120593659 384364484 /nfs/dbraw/zinc/36/44/84/384364484.db2.gz XCQBPOCLKLUDGW-UHFFFAOYSA-N 1 0 227.308 -0.157 40 0 BBABRO C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CC[C@@H]1O ZINC000126837248 343786925 /nfs/dbraw/zinc/78/69/25/343786925.db2.gz KRZLDTUABBBHMH-UTLUCORTSA-N 1 0 212.293 -0.032 40 0 BBABRO C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CC[C@H]1O ZINC000126837689 343786791 /nfs/dbraw/zinc/78/67/91/343786791.db2.gz KRZLDTUABBBHMH-KXUCPTDWSA-N 1 0 212.293 -0.032 40 0 BBABRO C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CC[C@@H]1O ZINC000126840053 343786782 /nfs/dbraw/zinc/78/67/82/343786782.db2.gz CVHOHNOTWHUFPE-BBBLOLIVSA-N 1 0 212.293 -0.175 40 0 BBABRO C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CC[C@H]1O ZINC000126840504 343786580 /nfs/dbraw/zinc/78/65/80/343786580.db2.gz CVHOHNOTWHUFPE-OPRDCNLKSA-N 1 0 212.293 -0.175 40 0 BBABRO Nc1cc(N2CCNC(=O)C2)nc(C2CC2)[nH+]1 ZINC000126872430 343786967 /nfs/dbraw/zinc/78/69/67/343786967.db2.gz OWWFWJNUOJZJBK-UHFFFAOYSA-N 1 0 233.275 -0.128 40 0 BBABRO C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CC[C@@H]1O ZINC000126905211 343787294 /nfs/dbraw/zinc/78/72/94/343787294.db2.gz KRZLDTUABBBHMH-BBBLOLIVSA-N 1 0 212.293 -0.032 40 0 BBABRO C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CC[C@H]1O ZINC000126905685 343787322 /nfs/dbraw/zinc/78/73/22/343787322.db2.gz KRZLDTUABBBHMH-OPRDCNLKSA-N 1 0 212.293 -0.032 40 0 BBABRO COC(=O)c1sc(N2CC[NH2+]CC2)nc1N ZINC000128951436 386020546 /nfs/dbraw/zinc/02/05/46/386020546.db2.gz AEDZOGCSCWSKTH-UHFFFAOYSA-N 1 0 242.304 -0.079 40 0 BBABRO [NH3+][C@@H]1CCN([C@H]2CCS(=O)(=O)C2)C1 ZINC000130834705 343788219 /nfs/dbraw/zinc/78/82/19/343788219.db2.gz OBXMCPFFACYMOY-SFYZADRCSA-N 1 0 204.295 -0.794 40 0 BBABRO [NH3+][C@@H]1CCN(CC(=O)NC[C@H]2CCCO2)C1 ZINC000130851947 344225171 /nfs/dbraw/zinc/22/51/71/344225171.db2.gz AFFIQVCPHAOPQS-NXEZZACHSA-N 1 0 227.308 -0.685 40 0 BBABRO [NH3+][C@@H]1CCN(CC(=O)NC[C@@H]2CCCO2)C1 ZINC000130852125 134623983 /nfs/dbraw/zinc/62/39/83/134623983.db2.gz AFFIQVCPHAOPQS-ZJUUUORDSA-N 1 0 227.308 -0.685 40 0 BBABRO [NH3+][C@H]1CCN([C@H]2CCS(=O)(=O)C2)C1 ZINC000130879292 345287946 /nfs/dbraw/zinc/28/79/46/345287946.db2.gz OBXMCPFFACYMOY-YUMQZZPRSA-N 1 0 204.295 -0.794 40 0 BBABRO Cc1ccnc(N2CCNC(=O)C2)c1C[NH3+] ZINC000135018012 388617761 /nfs/dbraw/zinc/61/77/61/388617761.db2.gz PHCUAKQCTMMCJC-UHFFFAOYSA-N 1 0 220.276 -0.215 40 0 BBABRO Nc1ncnc2c1ncn2[C@H]1CC[NH2+]C1 ZINC000136159869 384485231 /nfs/dbraw/zinc/48/52/31/384485231.db2.gz HDALOYKGCBBPOR-LURJTMIESA-N 1 0 204.237 -0.057 40 0 BBABRO Nc1ncnc2c1ncn2[C@@H]1CC[NH2+]C1 ZINC000136696678 384502728 /nfs/dbraw/zinc/50/27/28/384502728.db2.gz HDALOYKGCBBPOR-ZCFIWIBFSA-N 1 0 204.237 -0.057 40 0 BBABRO COC(=O)[C@@H]1C[C@@](O)(C(F)(F)F)CN1 ZINC000143564159 368348664 /nfs/dbraw/zinc/34/86/64/368348664.db2.gz ZRQGXCNWQSEMBG-NJGYIYPDSA-N 1 0 213.155 -0.185 40 0 BBABRO COCCN1CCN(c2cc(N)ncn2)CC1 ZINC000144173783 360527981 /nfs/dbraw/zinc/52/79/81/360527981.db2.gz VACQGYOKWDYLEX-UHFFFAOYSA-N 1 0 237.307 -0.173 40 0 BBABRO [NH3+]CCOCCOCCOCCOCCO ZINC000146143823 345070355 /nfs/dbraw/zinc/07/03/55/345070355.db2.gz DEOUHEFHTMMUCM-UHFFFAOYSA-N 1 0 237.296 -0.996 40 0 BBABRO COC(=O)[C@@H]1CC[NH2+]C[C@@H]1C(=O)OC ZINC000146310288 343197875 /nfs/dbraw/zinc/19/78/75/343197875.db2.gz XYZQKBBGEBZTND-RQJHMYQMSA-N 1 0 201.222 -0.442 40 0 BBABRO COC(=O)[C@H]1C[NH2+]CC[C@@H]1C(=O)OC ZINC000146310468 343197858 /nfs/dbraw/zinc/19/78/58/343197858.db2.gz XYZQKBBGEBZTND-BQBZGAKWSA-N 1 0 201.222 -0.442 40 0 BBABRO COC(=O)[C@@H]1CC[NH2+]C[C@H]1C(=O)OC ZINC000146310686 345295202 /nfs/dbraw/zinc/29/52/02/345295202.db2.gz XYZQKBBGEBZTND-RNFRBKRXSA-N 1 0 201.222 -0.442 40 0 BBABRO COC(=O)[C@H]1CC[NH2+]C[C@H]1C(=O)OC ZINC000146310882 343197939 /nfs/dbraw/zinc/19/79/39/343197939.db2.gz XYZQKBBGEBZTND-NKWVEPMBSA-N 1 0 201.222 -0.442 40 0 BBABRO COC[C@@H]1CC(F)(F)CN1C(=O)C[NH3+] ZINC000147382938 358429999 /nfs/dbraw/zinc/42/99/99/358429999.db2.gz BUSJQHHZQPCELS-LURJTMIESA-N 1 0 208.208 -0.172 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000161814735 384548128 /nfs/dbraw/zinc/54/81/28/384548128.db2.gz AZROAICSDUQCJT-CAHLUQPWSA-N 1 0 226.198 -0.141 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000161814860 384550451 /nfs/dbraw/zinc/55/04/51/384550451.db2.gz AZROAICSDUQCJT-FSPLSTOPSA-N 1 0 226.198 -0.141 40 0 BBABRO [NH3+]CCC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000161815018 181366963 /nfs/dbraw/zinc/36/69/63/181366963.db2.gz BNCKCXOXEJDKJW-ZETCQYMHSA-N 1 0 226.198 -0.139 40 0 BBABRO [NH3+]CCC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000161815133 181366670 /nfs/dbraw/zinc/36/66/70/181366670.db2.gz BNCKCXOXEJDKJW-SSDOTTSWSA-N 1 0 226.198 -0.139 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000161817249 384549990 /nfs/dbraw/zinc/54/99/90/384549990.db2.gz AZROAICSDUQCJT-IYSWYEEDSA-N 1 0 226.198 -0.141 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000161817400 175796418 /nfs/dbraw/zinc/79/64/18/175796418.db2.gz AZROAICSDUQCJT-VDTYLAMSSA-N 1 0 226.198 -0.141 40 0 BBABRO CC(C)NC(=O)[C@H](C)N1CCC[C@H]([NH3+])C1=O ZINC000162652277 388355324 /nfs/dbraw/zinc/35/53/24/388355324.db2.gz AYSMTBWUPJNPOD-IUCAKERBSA-N 1 0 227.308 -0.151 40 0 BBABRO CC(C)NC(=O)[C@H](C)N1CCC[C@@H]([NH3+])C1=O ZINC000162652535 388355332 /nfs/dbraw/zinc/35/53/32/388355332.db2.gz AYSMTBWUPJNPOD-DTWKUNHWSA-N 1 0 227.308 -0.151 40 0 BBABRO C[C@@H](C(=O)NC1CC1)N1CCC[C@H]([NH3+])C1=O ZINC000162653612 388354853 /nfs/dbraw/zinc/35/48/53/388354853.db2.gz OIXIFKKCZZPZCD-CBAPKCEASA-N 1 0 225.292 -0.397 40 0 BBABRO C[C@H](C(=O)NC1CC1)N1CCC[C@H]([NH3+])C1=O ZINC000162653729 388355675 /nfs/dbraw/zinc/35/56/75/388355675.db2.gz OIXIFKKCZZPZCD-APPZFPTMSA-N 1 0 225.292 -0.397 40 0 BBABRO C[C@@H](C(=O)NC1CC1)N1CCC[C@@H]([NH3+])C1=O ZINC000162653850 388620052 /nfs/dbraw/zinc/62/00/52/388620052.db2.gz OIXIFKKCZZPZCD-IONNQARKSA-N 1 0 225.292 -0.397 40 0 BBABRO C[C@H](C(=O)NC1CC1)N1CCC[C@@H]([NH3+])C1=O ZINC000162653967 388354935 /nfs/dbraw/zinc/35/49/35/388354935.db2.gz OIXIFKKCZZPZCD-VXNVDRBHSA-N 1 0 225.292 -0.397 40 0 BBABRO [NH3+]C[C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000162948492 345762904 /nfs/dbraw/zinc/76/29/04/345762904.db2.gz HOTZALHBXRQRRC-MRVPVSSYSA-N 1 0 208.265 -0.055 40 0 BBABRO [NH3+]C[C@@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000162948600 353335398 /nfs/dbraw/zinc/33/53/98/353335398.db2.gz HOTZALHBXRQRRC-QMMMGPOBSA-N 1 0 208.265 -0.055 40 0 BBABRO O=C([C@H]1CCCC[NH2+]1)N1CC[C@H](CO)C1 ZINC000163781226 361576419 /nfs/dbraw/zinc/57/64/19/361576419.db2.gz WLPRZARHHLFKRZ-VHSXEESVSA-N 1 0 212.293 -0.031 40 0 BBABRO O=C([C@H]1CCCC[NH2+]1)N1CC[C@@H](CO)C1 ZINC000163781351 361576475 /nfs/dbraw/zinc/57/64/75/361576475.db2.gz WLPRZARHHLFKRZ-NXEZZACHSA-N 1 0 212.293 -0.031 40 0 BBABRO O=C([C@@H]1CCCC[NH2+]1)N1CC[C@H](CO)C1 ZINC000163781462 345776664 /nfs/dbraw/zinc/77/66/64/345776664.db2.gz WLPRZARHHLFKRZ-UWVGGRQHSA-N 1 0 212.293 -0.031 40 0 BBABRO O=C([C@@H]1CCCC[NH2+]1)N1CC[C@@H](CO)C1 ZINC000163781570 345776717 /nfs/dbraw/zinc/77/67/17/345776717.db2.gz WLPRZARHHLFKRZ-ZJUUUORDSA-N 1 0 212.293 -0.031 40 0 BBABRO COCCN1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000164006754 135212620 /nfs/dbraw/zinc/21/26/20/135212620.db2.gz BXOOALDALHNTRL-LLVKDONJSA-N 1 0 241.335 -0.614 40 0 BBABRO COCCN1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000164006859 135212426 /nfs/dbraw/zinc/21/24/26/135212426.db2.gz BXOOALDALHNTRL-NSHDSACASA-N 1 0 241.335 -0.614 40 0 BBABRO [NH3+]CC1CCN(c2ncc[nH]c2=O)CC1 ZINC000165475457 353360071 /nfs/dbraw/zinc/36/00/71/353360071.db2.gz 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C[NH+](C)[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1O ZINC000205683384 347454085 /nfs/dbraw/zinc/45/40/85/347454085.db2.gz WISWGHFYHFVEOQ-GHMZBOCLSA-N 1 0 242.319 -0.454 40 0 BBABRO C[NH+](C)[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1O ZINC000205686151 368358810 /nfs/dbraw/zinc/35/88/10/368358810.db2.gz NADOYLNERJNGIW-VXGBXAGGSA-N 1 0 249.314 -0.243 40 0 BBABRO C[C@]1(C(=O)N2CCSCC2)C[NH2+]CCO1 ZINC000205690412 368358128 /nfs/dbraw/zinc/35/81/28/368358128.db2.gz JFLOEVVHQNUMDW-SNVBAGLBSA-N 1 0 230.333 -0.060 40 0 BBABRO C[C@@]1(C(=O)N2CCSCC2)C[NH2+]CCO1 ZINC000205690424 348575914 /nfs/dbraw/zinc/57/59/14/348575914.db2.gz JFLOEVVHQNUMDW-JTQLQIEISA-N 1 0 230.333 -0.060 40 0 BBABRO C[NH2+]CC(=O)N1CCOC[C@H]1c1nc(C)c[nH]1 ZINC000205691019 348575991 /nfs/dbraw/zinc/57/59/91/348575991.db2.gz HIIDYFNSDKPTTP-VIFPVBQESA-N 1 0 238.291 -0.163 40 0 BBABRO C[NH2+]CC(=O)N1CCOC[C@@H]1c1nc(C)c[nH]1 ZINC000205691035 368358615 /nfs/dbraw/zinc/35/86/15/368358615.db2.gz HIIDYFNSDKPTTP-SECBINFHSA-N 1 0 238.291 -0.163 40 0 BBABRO Cc1c[nH]nc1[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000205691169 348576154 /nfs/dbraw/zinc/57/61/54/348576154.db2.gz AAHBNBLNTBWPCR-MRVPVSSYSA-N 1 0 208.265 -0.007 40 0 BBABRO Cc1c[nH]nc1[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000205691188 368358247 /nfs/dbraw/zinc/35/82/47/368358247.db2.gz AAHBNBLNTBWPCR-QMMMGPOBSA-N 1 0 208.265 -0.007 40 0 BBABRO CS(=O)(=O)N1CC[C@](O)(C[NH+]2CCCC2)C1 ZINC000205691245 368358712 /nfs/dbraw/zinc/35/87/12/368358712.db2.gz YPCADYSBUQFJMW-JTQLQIEISA-N 1 0 248.348 -0.521 40 0 BBABRO CS(=O)(=O)N1CC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000205691266 368357557 /nfs/dbraw/zinc/35/75/57/368357557.db2.gz YPCADYSBUQFJMW-SNVBAGLBSA-N 1 0 248.348 -0.521 40 0 BBABRO CC(=O)N[C@H]1C[NH2+]C2(C1)CCN(C(C)=O)CC2 ZINC000205702453 385654514 /nfs/dbraw/zinc/65/45/14/385654514.db2.gz UWQJHJQZTXMRRM-LLVKDONJSA-N 1 0 239.319 -0.135 40 0 BBABRO CC(=O)N[C@@H]1C[NH2+]C2(C1)CCN(C(C)=O)CC2 ZINC000205702465 368360061 /nfs/dbraw/zinc/36/00/61/368360061.db2.gz UWQJHJQZTXMRRM-NSHDSACASA-N 1 0 239.319 -0.135 40 0 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CC(C)[C@@H](C(N)=O)N1C[C@H]([NH3+])CCC1=O ZINC000217543582 167346546 /nfs/dbraw/zinc/34/65/46/167346546.db2.gz AZHASRHTMGKJTF-APPZFPTMSA-N 1 0 213.281 -0.554 40 0 BBABRO [NH3+]Cc1cnccc1N1CCNC(=O)C1 ZINC000217732325 388379749 /nfs/dbraw/zinc/37/97/49/388379749.db2.gz JOYKMBZREJMNGY-UHFFFAOYSA-N 1 0 206.249 -0.524 40 0 BBABRO CN(c1cnn(CC[NH3+])c1)C1=NCCOC1 ZINC000217808074 388382000 /nfs/dbraw/zinc/38/20/00/388382000.db2.gz FIGOJENQQKERCR-UHFFFAOYSA-N 1 0 223.280 -0.293 40 0 BBABRO CCS(=O)(=O)C1(CO)CC[NH2+]CC1 ZINC000217929598 388383626 /nfs/dbraw/zinc/38/36/26/388383626.db2.gz FOOGGESWXZFFAY-UHFFFAOYSA-N 1 0 207.295 -0.464 40 0 BBABRO COCC1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000217929710 174112749 /nfs/dbraw/zinc/11/27/49/174112749.db2.gz KNAIMRVRQTUAGO-UHFFFAOYSA-N 1 0 207.295 -0.200 40 0 BBABRO CN(C)CC1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000217930365 388383947 /nfs/dbraw/zinc/38/39/47/388383947.db2.gz AEPKSVPVCZZIJN-UHFFFAOYSA-N 1 0 220.338 -0.285 40 0 BBABRO CS(=O)(=O)[C@@H]1CC[C@@](C[NH3+])(CO)C1 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ZINC000217940449 388574972 /nfs/dbraw/zinc/57/49/72/388574972.db2.gz CUDHIBRQBCMBOM-HTQZYQBOSA-N 1 0 207.295 -0.073 40 0 BBABRO COC[C@]1([NH3+])CC[C@@H](S(C)(=O)=O)C1 ZINC000217940535 388384010 /nfs/dbraw/zinc/38/40/10/388384010.db2.gz CUDHIBRQBCMBOM-SFYZADRCSA-N 1 0 207.295 -0.073 40 0 BBABRO CCS(=O)(=O)[C@@H]1CC[C@@](C[NH3+])(CO)C1 ZINC000217947162 388383863 /nfs/dbraw/zinc/38/38/63/388383863.db2.gz GOCJSFXMYMFFPY-RKDXNWHRSA-N 1 0 221.322 -0.089 40 0 BBABRO CCS(=O)(=O)[C@H]1CC[C@@](C[NH3+])(CO)C1 ZINC000217947251 170623619 /nfs/dbraw/zinc/62/36/19/170623619.db2.gz GOCJSFXMYMFFPY-DTWKUNHWSA-N 1 0 221.322 -0.089 40 0 BBABRO CCS(=O)(=O)[C@@H]1CC[C@](C[NH3+])(CO)C1 ZINC000217947330 388383990 /nfs/dbraw/zinc/38/39/90/388383990.db2.gz GOCJSFXMYMFFPY-BDAKNGLRSA-N 1 0 221.322 -0.089 40 0 BBABRO CCS(=O)(=O)[C@H]1CC[C@](C[NH3+])(CO)C1 ZINC000217947419 388384041 /nfs/dbraw/zinc/38/40/41/388384041.db2.gz GOCJSFXMYMFFPY-IUCAKERBSA-N 1 0 221.322 -0.089 40 0 BBABRO CCS(=O)(=O)[C@H]1CC[C@@]([NH3+])(CN)C1 ZINC000217948009 388384224 /nfs/dbraw/zinc/38/42/24/388384224.db2.gz KHUOBGBCWDOVCA-YUMQZZPRSA-N 1 0 206.311 -0.370 40 0 BBABRO CCS(=O)(=O)[C@H]1CC[C@]([NH3+])(CN)C1 ZINC000217948165 388384056 /nfs/dbraw/zinc/38/40/56/388384056.db2.gz KHUOBGBCWDOVCA-JGVFFNPUSA-N 1 0 206.311 -0.370 40 0 BBABRO CCS(=O)(=O)[C@@H]1CC[C@@]([NH3+])(CO)C1 ZINC000217950235 388384333 /nfs/dbraw/zinc/38/43/33/388384333.db2.gz NDUUXYRAJCASFT-SFYZADRCSA-N 1 0 207.295 -0.337 40 0 BBABRO CCS(=O)(=O)[C@H]1CC[C@@]([NH3+])(CO)C1 ZINC000217950310 388383732 /nfs/dbraw/zinc/38/37/32/388383732.db2.gz NDUUXYRAJCASFT-YUMQZZPRSA-N 1 0 207.295 -0.337 40 0 BBABRO CCS(=O)(=O)[C@@H]1CC[C@]([NH3+])(CO)C1 ZINC000217950381 388574398 /nfs/dbraw/zinc/57/43/98/388574398.db2.gz NDUUXYRAJCASFT-HTQZYQBOSA-N 1 0 207.295 -0.337 40 0 BBABRO CCS(=O)(=O)[C@H]1CC[C@]([NH3+])(CO)C1 ZINC000217950467 388383973 /nfs/dbraw/zinc/38/39/73/388383973.db2.gz NDUUXYRAJCASFT-JGVFFNPUSA-N 1 0 207.295 -0.337 40 0 BBABRO CCOC(=O)[C@@]1(C[NH3+])C[C@@H]1S(C)(=O)=O ZINC000217957164 170263164 /nfs/dbraw/zinc/26/31/64/170263164.db2.gz MLOUEBYQBIPNCD-POYBYMJQSA-N 1 0 221.278 -0.689 40 0 BBABRO CCOC(=O)[C@]1(C[NH3+])C[C@@H]1S(C)(=O)=O ZINC000217957252 170286067 /nfs/dbraw/zinc/28/60/67/170286067.db2.gz MLOUEBYQBIPNCD-XPUUQOCRSA-N 1 0 221.278 -0.689 40 0 BBABRO CCOC(=O)[C@@]1(C[NH3+])C[C@H]1S(C)(=O)=O ZINC000217957329 170263588 /nfs/dbraw/zinc/26/35/88/170263588.db2.gz MLOUEBYQBIPNCD-HTRCEHHLSA-N 1 0 221.278 -0.689 40 0 BBABRO CCOC(=O)[C@]1(C[NH3+])C[C@H]1S(C)(=O)=O ZINC000217957395 170285931 /nfs/dbraw/zinc/28/59/31/170285931.db2.gz MLOUEBYQBIPNCD-SVRRBLITSA-N 1 0 221.278 -0.689 40 0 BBABRO CCOC[C@@]1(C[NH3+])C[C@@H]1S(C)(=O)=O ZINC000217959803 388383958 /nfs/dbraw/zinc/38/39/58/388383958.db2.gz ORCOTBQFCYLJDL-YUMQZZPRSA-N 1 0 207.295 -0.215 40 0 BBABRO CCOC[C@]1(C[NH3+])C[C@@H]1S(C)(=O)=O ZINC000217959863 388384044 /nfs/dbraw/zinc/38/40/44/388384044.db2.gz ORCOTBQFCYLJDL-JGVFFNPUSA-N 1 0 207.295 -0.215 40 0 BBABRO CCOC[C@@]1(C[NH3+])C[C@H]1S(C)(=O)=O ZINC000217959931 388384069 /nfs/dbraw/zinc/38/40/69/388384069.db2.gz ORCOTBQFCYLJDL-SFYZADRCSA-N 1 0 207.295 -0.215 40 0 BBABRO CCOC[C@]1(C[NH3+])C[C@H]1S(C)(=O)=O ZINC000217959998 387327157 /nfs/dbraw/zinc/32/71/57/387327157.db2.gz ORCOTBQFCYLJDL-HTQZYQBOSA-N 1 0 207.295 -0.215 40 0 BBABRO CCOC(=O)[C@@]1(C[NH3+])C[C@@H]1S(=O)(=O)CC ZINC000217966578 170262976 /nfs/dbraw/zinc/26/29/76/170262976.db2.gz OMPZLQXYALBQNL-IONNQARKSA-N 1 0 235.305 -0.298 40 0 BBABRO CCOC(=O)[C@]1(C[NH3+])C[C@@H]1S(=O)(=O)CC ZINC000217966646 170286190 /nfs/dbraw/zinc/28/61/90/170286190.db2.gz OMPZLQXYALBQNL-CBAPKCEASA-N 1 0 235.305 -0.298 40 0 BBABRO CCOC(=O)[C@@]1(C[NH3+])C[C@H]1S(=O)(=O)CC ZINC000217966728 170263026 /nfs/dbraw/zinc/26/30/26/170263026.db2.gz OMPZLQXYALBQNL-VXNVDRBHSA-N 1 0 235.305 -0.298 40 0 BBABRO CCOC(=O)[C@]1(C[NH3+])C[C@H]1S(=O)(=O)CC ZINC000217966796 170285586 /nfs/dbraw/zinc/28/55/86/170285586.db2.gz OMPZLQXYALBQNL-APPZFPTMSA-N 1 0 235.305 -0.298 40 0 BBABRO CCS(=O)(=O)[C@@H]1C[C@@]1(C[NH3+])COC ZINC000217968904 387366996 /nfs/dbraw/zinc/36/69/96/387366996.db2.gz ABFUJEZMKDEVDK-HTQZYQBOSA-N 1 0 207.295 -0.215 40 0 BBABRO CCS(=O)(=O)[C@H]1C[C@@]1(C[NH3+])COC ZINC000217968991 388383781 /nfs/dbraw/zinc/38/37/81/388383781.db2.gz ABFUJEZMKDEVDK-JGVFFNPUSA-N 1 0 207.295 -0.215 40 0 BBABRO CCS(=O)(=O)[C@@H]1C[C@]1(C[NH3+])COC ZINC000217969081 388575150 /nfs/dbraw/zinc/57/51/50/388575150.db2.gz ABFUJEZMKDEVDK-SFYZADRCSA-N 1 0 207.295 -0.215 40 0 BBABRO CCS(=O)(=O)[C@H]1C[C@]1(C[NH3+])COC ZINC000217969163 388384402 /nfs/dbraw/zinc/38/44/02/388384402.db2.gz ABFUJEZMKDEVDK-YUMQZZPRSA-N 1 0 207.295 -0.215 40 0 BBABRO CCOC[C@@]1([NH3+])C[C@@H]1S(=O)(=O)CC ZINC000217971535 388575280 /nfs/dbraw/zinc/57/52/80/388575280.db2.gz UYRKMWXQLWEULF-YUMQZZPRSA-N 1 0 207.295 -0.073 40 0 BBABRO CCOC[C@]1([NH3+])C[C@@H]1S(=O)(=O)CC ZINC000217971611 388574557 /nfs/dbraw/zinc/57/45/57/388574557.db2.gz UYRKMWXQLWEULF-JGVFFNPUSA-N 1 0 207.295 -0.073 40 0 BBABRO CCOC[C@@]1([NH3+])C[C@H]1S(=O)(=O)CC ZINC000217971698 170444003 /nfs/dbraw/zinc/44/40/03/170444003.db2.gz UYRKMWXQLWEULF-SFYZADRCSA-N 1 0 207.295 -0.073 40 0 BBABRO CCOC[C@]1([NH3+])C[C@H]1S(=O)(=O)CC ZINC000217971785 388385066 /nfs/dbraw/zinc/38/50/66/388385066.db2.gz UYRKMWXQLWEULF-HTQZYQBOSA-N 1 0 207.295 -0.073 40 0 BBABRO N[C@]1(C[NH3+])C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000217977586 388385109 /nfs/dbraw/zinc/38/51/09/388385109.db2.gz LFUWLDNBKLLOFI-UWVGGRQHSA-N 1 0 226.301 -0.111 40 0 BBABRO N[C@@]1(C[NH3+])C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000217977670 388384951 /nfs/dbraw/zinc/38/49/51/388384951.db2.gz LFUWLDNBKLLOFI-VHSXEESVSA-N 1 0 226.301 -0.111 40 0 BBABRO N[C@]1(C[NH3+])C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217977749 388385148 /nfs/dbraw/zinc/38/51/48/388385148.db2.gz LFUWLDNBKLLOFI-ZJUUUORDSA-N 1 0 226.301 -0.111 40 0 BBABRO N[C@@]1(C[NH3+])C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217977834 388385160 /nfs/dbraw/zinc/38/51/60/388385160.db2.gz LFUWLDNBKLLOFI-NXEZZACHSA-N 1 0 226.301 -0.111 40 0 BBABRO [NH3+][C@@]1(CO)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000217979897 388385168 /nfs/dbraw/zinc/38/51/68/388385168.db2.gz CXRFXLVWKPEFNQ-VHSXEESVSA-N 1 0 227.285 -0.078 40 0 BBABRO [NH3+][C@]1(CO)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000217979974 388384881 /nfs/dbraw/zinc/38/48/81/388384881.db2.gz CXRFXLVWKPEFNQ-UWVGGRQHSA-N 1 0 227.285 -0.078 40 0 BBABRO [NH3+][C@@]1(CO)C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217980037 388385155 /nfs/dbraw/zinc/38/51/55/388385155.db2.gz CXRFXLVWKPEFNQ-NXEZZACHSA-N 1 0 227.285 -0.078 40 0 BBABRO [NH3+][C@]1(CO)C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217980119 388385002 /nfs/dbraw/zinc/38/50/02/388385002.db2.gz CXRFXLVWKPEFNQ-ZJUUUORDSA-N 1 0 227.285 -0.078 40 0 BBABRO CS(=O)(=O)[C@@H]1[C@@H](c2ccccc2)[C@@]1(N)C[NH3+] ZINC000218012404 388385738 /nfs/dbraw/zinc/38/57/38/388385738.db2.gz RDVOTHDNGVILFN-MXWKQRLJSA-N 1 0 240.328 -0.147 40 0 BBABRO CS(=O)(=O)[C@H]1[C@@H](c2ccccc2)[C@@]1(N)C[NH3+] ZINC000218012488 388385556 /nfs/dbraw/zinc/38/55/56/388385556.db2.gz RDVOTHDNGVILFN-VWYCJHECSA-N 1 0 240.328 -0.147 40 0 BBABRO CS(=O)(=O)[C@@H]1[C@H](c2ccccc2)[C@@]1(N)C[NH3+] ZINC000218012566 388576248 /nfs/dbraw/zinc/57/62/48/388576248.db2.gz RDVOTHDNGVILFN-AXFHLTTASA-N 1 0 240.328 -0.147 40 0 BBABRO CS(=O)(=O)[C@H]1[C@H](c2ccccc2)[C@@]1(N)C[NH3+] ZINC000218012653 388385876 /nfs/dbraw/zinc/38/58/76/388385876.db2.gz RDVOTHDNGVILFN-DCAQKATOSA-N 1 0 240.328 -0.147 40 0 BBABRO CS(=O)(=O)[C@@H]1[C@@H](c2ccccc2)[C@@]1([NH3+])CO ZINC000218014821 388385850 /nfs/dbraw/zinc/38/58/50/388385850.db2.gz YAMGNOASKAPGIJ-MXWKQRLJSA-N 1 0 241.312 -0.113 40 0 BBABRO CS(=O)(=O)[C@H]1[C@@H](c2ccccc2)[C@@]1([NH3+])CO ZINC000218014902 388385566 /nfs/dbraw/zinc/38/55/66/388385566.db2.gz YAMGNOASKAPGIJ-VWYCJHECSA-N 1 0 241.312 -0.113 40 0 BBABRO CS(=O)(=O)[C@@H]1[C@H](c2ccccc2)[C@@]1([NH3+])CO ZINC000218014989 388385608 /nfs/dbraw/zinc/38/56/08/388385608.db2.gz YAMGNOASKAPGIJ-AXFHLTTASA-N 1 0 241.312 -0.113 40 0 BBABRO CS(=O)(=O)[C@H]1[C@H](c2ccccc2)[C@@]1([NH3+])CO ZINC000218015066 388385760 /nfs/dbraw/zinc/38/57/60/388385760.db2.gz YAMGNOASKAPGIJ-DCAQKATOSA-N 1 0 241.312 -0.113 40 0 BBABRO NN(C(=O)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000221951981 490456441 /nfs/dbraw/zinc/45/64/41/490456441.db2.gz SQFUNYUCNXPWID-UHFFFAOYSA-N 1 0 210.193 -0.240 40 0 BBABRO CCS(=O)(=O)NC[C@@H]1CC(C[NH3+])=NO1 ZINC000222550382 386053466 /nfs/dbraw/zinc/05/34/66/386053466.db2.gz RPEQZGLZZPZSSA-ZETCQYMHSA-N 1 0 221.282 -0.971 40 0 BBABRO CCS(=O)(=O)NC[C@H]1CC(C[NH3+])=NO1 ZINC000222550450 386051865 /nfs/dbraw/zinc/05/18/65/386051865.db2.gz RPEQZGLZZPZSSA-SSDOTTSWSA-N 1 0 221.282 -0.971 40 0 BBABRO [NH3+][C@@H]1CCCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC000224000237 350301883 /nfs/dbraw/zinc/30/18/83/350301883.db2.gz VNPYTMBDQLMCDS-SSDOTTSWSA-N 1 0 222.248 -0.667 40 0 BBABRO [NH3+][C@H]1CCCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC000224000296 350301726 /nfs/dbraw/zinc/30/17/26/350301726.db2.gz VNPYTMBDQLMCDS-ZETCQYMHSA-N 1 0 222.248 -0.667 40 0 BBABRO C[C@@H](O)C1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000225414445 343793122 /nfs/dbraw/zinc/79/31/22/343793122.db2.gz SRZBFAQGICAWOM-JGVFFNPUSA-N 1 0 200.282 -0.047 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CCC([C@H](C)O)CC1 ZINC000225414487 350362156 /nfs/dbraw/zinc/36/21/56/350362156.db2.gz SRZBFAQGICAWOM-YUMQZZPRSA-N 1 0 200.282 -0.047 40 0 BBABRO C[C@@H](O)C1CCN(C(=O)CC[NH3+])CC1 ZINC000225414647 343793229 /nfs/dbraw/zinc/79/32/29/343793229.db2.gz UFKRTVJSKZXGOB-MRVPVSSYSA-N 1 0 200.282 -0.045 40 0 BBABRO C[C@H](O)C1CCN(C(=O)CC[NH3+])CC1 ZINC000225414688 343793195 /nfs/dbraw/zinc/79/31/95/343793195.db2.gz UFKRTVJSKZXGOB-QMMMGPOBSA-N 1 0 200.282 -0.045 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1CCC([C@@H](C)O)CC1 ZINC000225415109 343793206 /nfs/dbraw/zinc/79/32/06/343793206.db2.gz SRZBFAQGICAWOM-HTQZYQBOSA-N 1 0 200.282 -0.047 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1CCC([C@H](C)O)CC1 ZINC000225415487 343793216 /nfs/dbraw/zinc/79/32/16/343793216.db2.gz SRZBFAQGICAWOM-SFYZADRCSA-N 1 0 200.282 -0.047 40 0 BBABRO CC(C)C[NH2+][C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC000225503312 167011161 /nfs/dbraw/zinc/01/11/61/167011161.db2.gz JSARXQZPJMAGIU-KYXWUPHJSA-N 1 0 203.282 -0.665 40 0 biogenic,in-vitro BBABRO COC[C@H]1C[C@@H]([NH2+]C2CCC2)[C@H](O)[C@@H]1O ZINC000225508694 174614152 /nfs/dbraw/zinc/61/41/52/174614152.db2.gz DTVICYFTPYYKRL-WKJUBOCMSA-N 1 0 215.293 -0.115 40 0 biogenic,in-vitro BBABRO COC[C@H]1C[C@@H]([NH2+]C2CCOCC2)[C@H](O)[C@@H]1O ZINC000225508737 411581705 /nfs/dbraw/zinc/58/17/05/411581705.db2.gz HHJTTYSYVSDICS-HKWIRBFKSA-N 1 0 245.319 -0.488 40 0 biogenic,in-vitro BBABRO COC[C@H]1C[C@@H]([NH2+]CC(C)C)[C@H](O)[C@@H]1O ZINC000225508952 411582497 /nfs/dbraw/zinc/58/24/97/411582497.db2.gz UMPZNYGRYTYEBQ-DBIOUOCHSA-N 1 0 217.309 -0.011 40 0 biogenic,in-vitro BBABRO [NH3+][C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@@H](O)[C@H]1O ZINC000225510570 388726885 /nfs/dbraw/zinc/72/68/85/388726885.db2.gz POTGHGYMQVOICU-OYBPUVFXSA-N 1 0 238.291 -0.776 40 0 biogenic,in-vitro BBABRO Cc1cccc(OC[C@H]2C[C@@H]([NH3+])[C@H](O)[C@@H]2O)n1 ZINC000225510618 179172247 /nfs/dbraw/zinc/17/22/47/179172247.db2.gz BSUMOKLHJVQSNY-IQIPOGNMSA-N 1 0 238.287 -0.162 40 0 biogenic,in-vitro BBABRO CCOC(=O)c1c(=O)[nH]c2c(c1O)CC[NH2+]C2 ZINC000225740194 521412752 /nfs/dbraw/zinc/41/27/52/521412752.db2.gz DVIHNRMOYDXEPZ-UHFFFAOYSA-N 1 0 238.243 -0.097 40 0 BBABRO NS(=O)(=O)c1cccc(C[NH2+]CCO)c1 ZINC000225769899 527321189 /nfs/dbraw/zinc/32/11/89/527321189.db2.gz VYCORYGFUMIQCT-UHFFFAOYSA-N 1 0 230.289 -0.584 40 0 BBABRO C[C@@H]1[C@@H]([NH3+])C(=O)N1c1cnn(CCF)c1 ZINC000225778016 525661518 /nfs/dbraw/zinc/66/15/18/525661518.db2.gz NZYQANHOQJKMNB-HTRCEHHLSA-N 1 0 212.228 -0.085 40 0 BBABRO C[C@H]1[C@@H]([NH3+])C(=O)N1c1cnn(CCF)c1 ZINC000225778040 525088517 /nfs/dbraw/zinc/08/85/17/525088517.db2.gz NZYQANHOQJKMNB-POYBYMJQSA-N 1 0 212.228 -0.085 40 0 BBABRO C[C@@H]1[C@H]([NH3+])C(=O)N1c1cnn(CCF)c1 ZINC000225778063 525700626 /nfs/dbraw/zinc/70/06/26/525700626.db2.gz NZYQANHOQJKMNB-SVRRBLITSA-N 1 0 212.228 -0.085 40 0 BBABRO C[C@H]1[C@H]([NH3+])C(=O)N1c1cnn(CCF)c1 ZINC000225778087 525105190 /nfs/dbraw/zinc/10/51/90/525105190.db2.gz NZYQANHOQJKMNB-XPUUQOCRSA-N 1 0 212.228 -0.085 40 0 BBABRO COCCn1cc(N2C(=O)[C@@H]([NH3+])[C@@H]2C)cn1 ZINC000225778117 522101715 /nfs/dbraw/zinc/10/17/15/522101715.db2.gz GBRXFYCRFNBHGC-CBAPKCEASA-N 1 0 224.264 -0.408 40 0 BBABRO COCCn1cc(N2C(=O)[C@H]([NH3+])[C@@H]2C)cn1 ZINC000225778134 522100375 /nfs/dbraw/zinc/10/03/75/522100375.db2.gz GBRXFYCRFNBHGC-IONNQARKSA-N 1 0 224.264 -0.408 40 0 BBABRO COCCn1cc(N2C(=O)[C@@H]([NH3+])[C@H]2C)cn1 ZINC000225778158 522099759 /nfs/dbraw/zinc/09/97/59/522099759.db2.gz GBRXFYCRFNBHGC-APPZFPTMSA-N 1 0 224.264 -0.408 40 0 BBABRO COCCn1cc(N2C(=O)[C@H]([NH3+])[C@H]2C)cn1 ZINC000225778179 522100646 /nfs/dbraw/zinc/10/06/46/522100646.db2.gz GBRXFYCRFNBHGC-VXNVDRBHSA-N 1 0 224.264 -0.408 40 0 BBABRO O=C(C[N@H+]1CC[C@@H](CO)C1)NC[C@@H]1CCCO1 ZINC000225969486 385325614 /nfs/dbraw/zinc/32/56/14/385325614.db2.gz BLTXJFMJNFSSDN-MNOVXSKESA-N 1 0 242.319 -0.404 40 0 BBABRO [NH3+]C1CCN(C(=O)c2cc[nH]c(=O)c2)CC1 ZINC000226008127 350395376 /nfs/dbraw/zinc/39/53/76/350395376.db2.gz BNLUPMFGWJFOPT-UHFFFAOYSA-N 1 0 221.260 -0.062 40 0 BBABRO [NH3+][C@@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC000226031044 350395995 /nfs/dbraw/zinc/39/59/95/350395995.db2.gz HKGPIODDBONBPC-SECBINFHSA-N 1 0 221.260 -0.062 40 0 BBABRO [NH3+][C@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC000226031054 350396396 /nfs/dbraw/zinc/39/63/96/350396396.db2.gz HKGPIODDBONBPC-VIFPVBQESA-N 1 0 221.260 -0.062 40 0 BBABRO [NH3+][C@@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC000226131268 350402120 /nfs/dbraw/zinc/40/21/20/350402120.db2.gz YTQKBBCNTJEAKL-MRVPVSSYSA-N 1 0 207.233 -0.452 40 0 BBABRO [NH3+]CC1CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000226176816 350405408 /nfs/dbraw/zinc/40/54/08/350405408.db2.gz ZEKVORVENOLHNQ-UHFFFAOYSA-N 1 0 236.275 -0.419 40 0 BBABRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC000226231417 343793211 /nfs/dbraw/zinc/79/32/11/343793211.db2.gz GUOSDGYPCOOLFN-QMMMGPOBSA-N 1 0 236.275 -0.419 40 0 BBABRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC000226231426 343793567 /nfs/dbraw/zinc/79/35/67/343793567.db2.gz GUOSDGYPCOOLFN-MRVPVSSYSA-N 1 0 236.275 -0.419 40 0 BBABRO [NH3+][C@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC000226236742 350410654 /nfs/dbraw/zinc/41/06/54/350410654.db2.gz YTQKBBCNTJEAKL-QMMMGPOBSA-N 1 0 207.233 -0.452 40 0 BBABRO O=C(CC1CC[NH2+]CC1)N1CC(CO)C1 ZINC000227310177 343793485 /nfs/dbraw/zinc/79/34/85/343793485.db2.gz XFTIJCNZKONKQV-UHFFFAOYSA-N 1 0 212.293 -0.173 40 0 BBABRO c1c2c(nnc1N1CCOCC1)CC[NH2+]C2 ZINC000229011651 526401294 /nfs/dbraw/zinc/40/12/94/526401294.db2.gz YZQFCRZRFBWOLS-UHFFFAOYSA-N 1 0 220.276 -0.041 40 0 BBABRO CNC(=O)CO[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000229921858 173278907 /nfs/dbraw/zinc/27/89/07/173278907.db2.gz ZKZYBKYTLQEIAR-VIFPVBQESA-N 1 0 228.292 -0.340 40 0 BBABRO CNC(=O)CO[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000229921864 173278979 /nfs/dbraw/zinc/27/89/79/173278979.db2.gz ZKZYBKYTLQEIAR-SECBINFHSA-N 1 0 228.292 -0.340 40 0 BBABRO C[C@@H](O)C1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000230044006 385324650 /nfs/dbraw/zinc/32/46/50/385324650.db2.gz VUUSAJVMNBHWHF-MRVPVSSYSA-N 1 0 212.293 -0.175 40 0 BBABRO C[C@H](O)C1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000230044012 385324455 /nfs/dbraw/zinc/32/44/55/385324455.db2.gz VUUSAJVMNBHWHF-QMMMGPOBSA-N 1 0 212.293 -0.175 40 0 BBABRO CCn1nc(C(=O)NCC[NH+](C)C)cc1N ZINC000230448594 348312985 /nfs/dbraw/zinc/31/29/85/348312985.db2.gz JXHRRFCRTAKNBR-UHFFFAOYSA-N 1 0 225.296 -0.223 40 0 BBABRO CCOC(=O)[C@@H]1C[NH2+]CCC12OCCO2 ZINC000230478031 491084036 /nfs/dbraw/zinc/08/40/36/491084036.db2.gz BGCRZJNORVDZFM-QMMMGPOBSA-N 1 0 215.249 -0.098 40 0 BBABRO CCOC(=O)[C@H]1C[NH2+]CCC12OCCO2 ZINC000230478076 491084093 /nfs/dbraw/zinc/08/40/93/491084093.db2.gz BGCRZJNORVDZFM-MRVPVSSYSA-N 1 0 215.249 -0.098 40 0 BBABRO O=C([C@H]1C[C@@H](F)C[NH2+]1)N1CCOCC1 ZINC000230574205 350604597 /nfs/dbraw/zinc/60/45/97/350604597.db2.gz HPMUTOXSDYPWBA-HTQZYQBOSA-N 1 0 202.229 -0.455 40 0 BBABRO C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CC[C@@H]1O ZINC000230625559 343794163 /nfs/dbraw/zinc/79/41/63/343794163.db2.gz CVHOHNOTWHUFPE-UTLUCORTSA-N 1 0 212.293 -0.175 40 0 BBABRO [NH3+][C@@H]1CCCN(CC(=O)NC[C@H]2CCCO2)C1 ZINC000230644068 343794171 /nfs/dbraw/zinc/79/41/71/343794171.db2.gz SOUAXLUYVLSODW-GHMZBOCLSA-N 1 0 241.335 -0.295 40 0 BBABRO [NH3+][C@@H]1CCCN([C@H]2CCS(=O)(=O)C2)C1 ZINC000230649591 350605577 /nfs/dbraw/zinc/60/55/77/350605577.db2.gz ULMFNSUIXVUPDM-BDAKNGLRSA-N 1 0 218.322 -0.403 40 0 BBABRO C[NH2+]CC(=O)N1C[C@@H](OC)[C@@H](OC)C1 ZINC000234371758 343794707 /nfs/dbraw/zinc/79/47/07/343794707.db2.gz FJLWISLYYWWRDP-OCAPTIKFSA-N 1 0 202.254 -0.922 40 0 BBABRO C[NH2+]CC(=O)N1C[C@@H](OC)[C@H](OC)C1 ZINC000234371766 343794885 /nfs/dbraw/zinc/79/48/85/343794885.db2.gz FJLWISLYYWWRDP-HTQZYQBOSA-N 1 0 202.254 -0.922 40 0 BBABRO C[NH2+]CC(=O)N1C[C@H](OC)[C@@H](OC)C1 ZINC000234371953 343795112 /nfs/dbraw/zinc/79/51/12/343795112.db2.gz FJLWISLYYWWRDP-YUMQZZPRSA-N 1 0 202.254 -0.922 40 0 BBABRO CO[C@@H]1CN(C(=O)CC[NH3+])C[C@@H]1OC ZINC000234762764 343652526 /nfs/dbraw/zinc/65/25/26/343652526.db2.gz DWXHMPCDAHDREC-OCAPTIKFSA-N 1 0 202.254 -0.793 40 0 BBABRO CO[C@@H]1CN(C(=O)CC[NH3+])C[C@H]1OC ZINC000234762800 343794672 /nfs/dbraw/zinc/79/46/72/343794672.db2.gz DWXHMPCDAHDREC-HTQZYQBOSA-N 1 0 202.254 -0.793 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@@H]1OC ZINC000234775755 343794687 /nfs/dbraw/zinc/79/46/87/343794687.db2.gz QPGCDSXMFQYOGO-PRJMDXOYSA-N 1 0 202.254 -0.794 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@H]1OC ZINC000234775795 343795105 /nfs/dbraw/zinc/79/51/05/343795105.db2.gz QPGCDSXMFQYOGO-BWZBUEFSSA-N 1 0 202.254 -0.794 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@H](C)[NH3+])C[C@H]1OC ZINC000234777708 343794684 /nfs/dbraw/zinc/79/46/84/343794684.db2.gz QPGCDSXMFQYOGO-XLPZGREQSA-N 1 0 202.254 -0.794 40 0 BBABRO CO[C@H]1CN(C(=O)CC[NH3+])C[C@@H]1OC ZINC000234854631 343795069 /nfs/dbraw/zinc/79/50/69/343795069.db2.gz DWXHMPCDAHDREC-YUMQZZPRSA-N 1 0 202.254 -0.793 40 0 BBABRO CO[C@@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@@H]1OC ZINC000234994361 343795021 /nfs/dbraw/zinc/79/50/21/343795021.db2.gz FPGWLGNWVSZFTJ-PHIMTYICSA-N 1 0 242.319 -0.142 40 0 BBABRO CO[C@@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@H]1OC ZINC000234994405 343794678 /nfs/dbraw/zinc/79/46/78/343794678.db2.gz FPGWLGNWVSZFTJ-GHMZBOCLSA-N 1 0 242.319 -0.142 40 0 BBABRO CO[C@@H]1CN(C(=O)C2C[NH2+]C2)C[C@@H]1OC ZINC000234994458 343716926 /nfs/dbraw/zinc/71/69/26/343716926.db2.gz ZSDFCEPCQLDETL-DTORHVGOSA-N 1 0 214.265 -0.922 40 0 BBABRO CO[C@@H]1CN(C(=O)C2C[NH2+]C2)C[C@H]1OC ZINC000234994488 343794889 /nfs/dbraw/zinc/79/48/89/343794889.db2.gz ZSDFCEPCQLDETL-RKDXNWHRSA-N 1 0 214.265 -0.922 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1OC ZINC000235011453 343794696 /nfs/dbraw/zinc/79/46/96/343794696.db2.gz XOMHALVDYCIWBX-LPEHRKFASA-N 1 0 228.292 -0.389 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@H]1OC ZINC000235011482 343794675 /nfs/dbraw/zinc/79/46/75/343794675.db2.gz XOMHALVDYCIWBX-IVZWLZJFSA-N 1 0 228.292 -0.389 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@@H]1OC ZINC000235011528 343794853 /nfs/dbraw/zinc/79/48/53/343794853.db2.gz VFSSHJMUFYQRET-MXWKQRLJSA-N 1 0 242.319 -0.142 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@H]1OC ZINC000235011560 343794903 /nfs/dbraw/zinc/79/49/03/343794903.db2.gz VFSSHJMUFYQRET-GMTAPVOTSA-N 1 0 242.319 -0.142 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)C[C@@H]1OC ZINC000235012199 350709175 /nfs/dbraw/zinc/70/91/75/350709175.db2.gz QWRPRAIWMPKGGJ-BBBLOLIVSA-N 1 0 228.292 -0.532 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)C[C@@H]1OC ZINC000235015788 350709257 /nfs/dbraw/zinc/70/92/57/350709257.db2.gz XOMHALVDYCIWBX-BBBLOLIVSA-N 1 0 228.292 -0.389 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)C[C@H]1OC ZINC000235015817 343794894 /nfs/dbraw/zinc/79/48/94/343794894.db2.gz XOMHALVDYCIWBX-OPRDCNLKSA-N 1 0 228.292 -0.389 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)C[C@@H]1OC ZINC000235015839 343795001 /nfs/dbraw/zinc/79/50/01/343795001.db2.gz VFSSHJMUFYQRET-GARJFASQSA-N 1 0 242.319 -0.142 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)C[C@H]1OC ZINC000235015867 343794745 /nfs/dbraw/zinc/79/47/45/343794745.db2.gz VFSSHJMUFYQRET-HBNTYKKESA-N 1 0 242.319 -0.142 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@@H]1OC ZINC000235016150 343794793 /nfs/dbraw/zinc/79/47/93/343794793.db2.gz QWRPRAIWMPKGGJ-LPEHRKFASA-N 1 0 228.292 -0.532 40 0 BBABRO CNC(=O)c1cc2c(nc1N)CC[NH2+]C2 ZINC000238349803 173310184 /nfs/dbraw/zinc/31/01/84/173310184.db2.gz XCVCMZXQKMKHCO-UHFFFAOYSA-N 1 0 206.249 -0.331 40 0 BBABRO COC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000238415073 361011043 /nfs/dbraw/zinc/01/10/43/361011043.db2.gz FGAHEIJJWKCWLA-ZETCQYMHSA-N 1 0 210.237 -0.183 40 0 BBABRO COC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000238415091 361011924 /nfs/dbraw/zinc/01/19/24/361011924.db2.gz FGAHEIJJWKCWLA-SSDOTTSWSA-N 1 0 210.237 -0.183 40 0 BBABRO O=S1(=O)CC2(C[NH2+]C2)[C@H]1C(F)(F)F ZINC000238556003 387857113 /nfs/dbraw/zinc/85/71/13/387857113.db2.gz XMNFTWZDJNNLIY-BYPYZUCNSA-N 1 0 215.196 -0.065 40 0 BBABRO O=S1(=O)CC2(C[NH2+]C2)[C@@H]1C(F)(F)F ZINC000238560698 182906460 /nfs/dbraw/zinc/90/64/60/182906460.db2.gz XMNFTWZDJNNLIY-SCSAIBSYSA-N 1 0 215.196 -0.065 40 0 BBABRO O=C([C@@H]1C[C@@H](F)C[NH2+]1)N1CCOCC1 ZINC000238852880 526497167 /nfs/dbraw/zinc/49/71/67/526497167.db2.gz HPMUTOXSDYPWBA-SFYZADRCSA-N 1 0 202.229 -0.455 40 0 BBABRO C[C@@H]1C[C@@H](S(C)(=O)=O)C[C@]1(C[NH3+])CO ZINC000242498722 388838006 /nfs/dbraw/zinc/83/80/06/388838006.db2.gz HPZNYBZUQICYIE-HLTSFMKQSA-N 1 0 221.322 -0.233 40 0 BBABRO C[C@@H]1C[C@H](S(C)(=O)=O)C[C@]1(C[NH3+])CO ZINC000242498723 259543675 /nfs/dbraw/zinc/54/36/75/259543675.db2.gz HPZNYBZUQICYIE-VGMNWLOBSA-N 1 0 221.322 -0.233 40 0 BBABRO [NH3+]C[C@@]1(CO)C[C@H]2[C@H]3CS(=O)(=O)C[C@H]3[C@H]2C1 ZINC000242592184 388399311 /nfs/dbraw/zinc/39/93/11/388399311.db2.gz OLJUYBRAEIAFOJ-HQUNYVMJSA-N 1 0 245.344 -0.376 40 0 BBABRO [NH3+]C[C@@]1(CO)C[C@H]2[C@H]3CS(=O)(=O)C[C@@H]3[C@H]2C1 ZINC000242592185 259545078 /nfs/dbraw/zinc/54/50/78/259545078.db2.gz OLJUYBRAEIAFOJ-RCZSTQMZSA-N 1 0 245.344 -0.376 40 0 BBABRO [NH3+]C[C@@]1(CO)C[C@@H]2[C@H](C1)[C@H]1CS(=O)(=O)C[C@@H]21 ZINC000242592186 388399657 /nfs/dbraw/zinc/39/96/57/388399657.db2.gz OLJUYBRAEIAFOJ-REGJCICNSA-N 1 0 245.344 -0.376 40 0 BBABRO [NH3+]C[C@@]1(CO)C[C@@H]2[C@H](C1)[C@@H]1CS(=O)(=O)C[C@@H]21 ZINC000242592187 388399440 /nfs/dbraw/zinc/39/94/40/388399440.db2.gz OLJUYBRAEIAFOJ-SSRBZLIGSA-N 1 0 245.344 -0.376 40 0 BBABRO CS(=O)(=O)[C@@H]1[C@@H](c2ccccc2)[C@]1(N)C[NH3+] ZINC000242648701 387026574 /nfs/dbraw/zinc/02/65/74/387026574.db2.gz RDVOTHDNGVILFN-GMTAPVOTSA-N 1 0 240.328 -0.147 40 0 BBABRO CS(=O)(=O)[C@@H]1[C@H](c2ccccc2)[C@]1(N)C[NH3+] ZINC000242648703 387026882 /nfs/dbraw/zinc/02/68/82/387026882.db2.gz RDVOTHDNGVILFN-HBNTYKKESA-N 1 0 240.328 -0.147 40 0 BBABRO CS(=O)(=O)[C@@H]1[C@@H](c2ccccc2)[C@]1([NH3+])CO ZINC000242722974 384136290 /nfs/dbraw/zinc/13/62/90/384136290.db2.gz YAMGNOASKAPGIJ-GMTAPVOTSA-N 1 0 241.312 -0.113 40 0 BBABRO CS(=O)(=O)[C@@H]1[C@H](c2ccccc2)[C@]1([NH3+])CO ZINC000242722976 384136547 /nfs/dbraw/zinc/13/65/47/384136547.db2.gz YAMGNOASKAPGIJ-HBNTYKKESA-N 1 0 241.312 -0.113 40 0 BBABRO COC(=O)C1=C[C@H]2C[N@H+](C)CC[C@H]2NC1=O ZINC000245204929 386588748 /nfs/dbraw/zinc/58/87/48/386588748.db2.gz JNKKUQKRQMBHEW-IONNQARKSA-N 1 0 224.260 -0.464 40 0 BBABRO CC[N@@H+]1CC[C@H]2NC(=O)C(C(=O)OC)=C[C@H]2C1 ZINC000245224386 170023715 /nfs/dbraw/zinc/02/37/15/170023715.db2.gz VQQNLUPBOMCKGQ-WCBMZHEXSA-N 1 0 238.287 -0.074 40 0 BBABRO CC[N@@H+]1CC[C@@H]2NC(=O)C(C(=O)OC)=C[C@H]2C1 ZINC000245224387 170013676 /nfs/dbraw/zinc/01/36/76/170013676.db2.gz VQQNLUPBOMCKGQ-WPRPVWTQSA-N 1 0 238.287 -0.074 40 0 BBABRO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)C(N)=O ZINC000245377151 521839182 /nfs/dbraw/zinc/83/91/82/521839182.db2.gz HIXZNVCQXQTOSJ-RRKCRQDMSA-N 1 0 201.270 -0.650 40 0 BBABRO COCCNC(=O)C[C@H]1C[NH2+]Cc2ccnn21 ZINC000247839149 174322687 /nfs/dbraw/zinc/32/26/87/174322687.db2.gz KHIVUHDRDCWMHO-JTQLQIEISA-N 1 0 238.291 -0.320 40 0 BBABRO COCCNC(=O)C[C@@H]1C[NH2+]Cc2ccnn21 ZINC000247839153 174321655 /nfs/dbraw/zinc/32/16/55/174321655.db2.gz KHIVUHDRDCWMHO-SNVBAGLBSA-N 1 0 238.291 -0.320 40 0 BBABRO O=C(CN1CCC[C@@H](O)C1)NC[C@H]1CCCO1 ZINC000247955593 344372875 /nfs/dbraw/zinc/37/28/75/344372875.db2.gz NBGIXAAVZOXVKR-GHMZBOCLSA-N 1 0 242.319 -0.262 40 0 BBABRO CN(C)C(=O)CO[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC000247956111 172372954 /nfs/dbraw/zinc/37/29/54/172372954.db2.gz CYTHQNXVTHEJIW-SECBINFHSA-N 1 0 228.292 -0.388 40 0 BBABRO CN(C)C(=O)CO[C@H]1CCOC2(C[NH2+]C2)C1 ZINC000247956113 172372297 /nfs/dbraw/zinc/37/22/97/172372297.db2.gz CYTHQNXVTHEJIW-VIFPVBQESA-N 1 0 228.292 -0.388 40 0 BBABRO CC(C)[N@@H+]1CCN(c2ncccn2)[C@@H](C(N)=O)C1 ZINC000248005610 388671668 /nfs/dbraw/zinc/67/16/68/388671668.db2.gz PLHBQJVIMFRUMH-SNVBAGLBSA-N 1 0 249.318 -0.139 40 0 BBABRO CN(C)C(=O)[C@H]1C[N@H+](C)Cc2ccnn21 ZINC000248064715 173202170 /nfs/dbraw/zinc/20/21/70/173202170.db2.gz ZOZPCHFKQYHZFR-SECBINFHSA-N 1 0 208.265 -0.042 40 0 BBABRO CN(C)C(=O)[C@@H]1C[N@H+](C)Cc2ccnn21 ZINC000248064718 173201832 /nfs/dbraw/zinc/20/18/32/173201832.db2.gz ZOZPCHFKQYHZFR-VIFPVBQESA-N 1 0 208.265 -0.042 40 0 BBABRO C[N@@H+]1C[C@H]2C[C@@H](C(=O)N3CCOCC3)[C@@H](C1)O2 ZINC000248088102 173200442 /nfs/dbraw/zinc/20/04/42/173200442.db2.gz UCIKSYGCLAVFQJ-GMTAPVOTSA-N 1 0 240.303 -0.436 40 0 BBABRO COCCNC(=O)[C@@H]1C[N@H+](C)Cc2cncn21 ZINC000248094416 174326747 /nfs/dbraw/zinc/32/67/47/174326747.db2.gz XFCGAIDCXPULIM-JTQLQIEISA-N 1 0 238.291 -0.368 40 0 BBABRO COCCNC(=O)[C@H]1C[N@H+](C)Cc2cncn21 ZINC000248094420 174327286 /nfs/dbraw/zinc/32/72/86/174327286.db2.gz XFCGAIDCXPULIM-SNVBAGLBSA-N 1 0 238.291 -0.368 40 0 BBABRO CNC(=O)[C@@H]1C[N@H+](C)CCN1c1ccnc(C)n1 ZINC000248102059 388673382 /nfs/dbraw/zinc/67/33/82/388673382.db2.gz FDKHDKDAFSNZBP-JTQLQIEISA-N 1 0 249.318 -0.349 40 0 BBABRO 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O=S1(=O)N(C2CC2)CCCN1[C@H]1CC[NH2+]C1 ZINC000250800614 345487370 /nfs/dbraw/zinc/48/73/70/345487370.db2.gz BKGAYZQBZGAYFK-JTQLQIEISA-N 1 0 245.348 -0.237 40 0 BBABRO O=C(C[N@H+]1CC[C@@H](CO)C1)NC[C@H]1CCCO1 ZINC000250982360 384483860 /nfs/dbraw/zinc/48/38/60/384483860.db2.gz BLTXJFMJNFSSDN-GHMZBOCLSA-N 1 0 242.319 -0.404 40 0 BBABRO O=S1(=O)N(C2CC2)CCN1[C@H]1CC[NH2+]C1 ZINC000250988035 345484717 /nfs/dbraw/zinc/48/47/17/345484717.db2.gz CCYYBASMCMNSKZ-VIFPVBQESA-N 1 0 231.321 -0.627 40 0 BBABRO [NH3+][C@H]1CCCN(CC(=O)NC[C@H]2CCCO2)C1 ZINC000251423834 345502965 /nfs/dbraw/zinc/50/29/65/345502965.db2.gz SOUAXLUYVLSODW-WDEREUQCSA-N 1 0 241.335 -0.295 40 0 BBABRO [NH3+]C[C@@H]1CCCN([C@H]2CCS(=O)(=O)C2)C1 ZINC000251529256 343124900 /nfs/dbraw/zinc/12/49/00/343124900.db2.gz XLECKQNOKFKNQL-UWVGGRQHSA-N 1 0 232.349 -0.156 40 0 BBABRO [NH3+]C[C@H]1CCCN([C@H]2CCS(=O)(=O)C2)C1 ZINC000251529275 345504532 /nfs/dbraw/zinc/50/45/32/345504532.db2.gz XLECKQNOKFKNQL-ZJUUUORDSA-N 1 0 232.349 -0.156 40 0 BBABRO CC(=O)N(C)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000252518009 519450691 /nfs/dbraw/zinc/45/06/91/519450691.db2.gz XEHURPANUISAQP-MGCOHNPYSA-N 1 0 227.308 -0.149 40 0 BBABRO C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CC[C@H]1O ZINC000253174014 345630650 /nfs/dbraw/zinc/63/06/50/345630650.db2.gz CVHOHNOTWHUFPE-KXUCPTDWSA-N 1 0 212.293 -0.175 40 0 BBABRO CCS(=O)(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC000253488293 385679594 /nfs/dbraw/zinc/67/95/94/385679594.db2.gz ADYBZLSIBCYUGB-SECBINFHSA-N 1 0 248.348 -0.306 40 0 BBABRO CCS(=O)(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC000253488294 385678442 /nfs/dbraw/zinc/67/84/42/385678442.db2.gz ADYBZLSIBCYUGB-VIFPVBQESA-N 1 0 248.348 -0.306 40 0 BBABRO O=S1(=O)C[C@H]2[NH2+]CCN(CC3CC3)[C@@H]2C1 ZINC000253495451 385680003 /nfs/dbraw/zinc/68/00/03/385680003.db2.gz FGEUZSUOSUUGOP-NXEZZACHSA-N 1 0 230.333 -0.533 40 0 BBABRO O=S1(=O)C[C@@H]2[NH2+]CCN(CC3CC3)[C@H]2C1 ZINC000253495452 385678513 /nfs/dbraw/zinc/67/85/13/385678513.db2.gz FGEUZSUOSUUGOP-UWVGGRQHSA-N 1 0 230.333 -0.533 40 0 BBABRO O=S1(=O)C[C@H]2[C@@H](C1)[NH2+]CCN2CC1CC1 ZINC000253495454 385678980 /nfs/dbraw/zinc/67/89/80/385678980.db2.gz FGEUZSUOSUUGOP-ZJUUUORDSA-N 1 0 230.333 -0.533 40 0 BBABRO CCN1CC[NH2+][C@@H]2CS(=O)(=O)C[C@H]21 ZINC000253495520 170000355 /nfs/dbraw/zinc/00/03/55/170000355.db2.gz HODHKGIHWXJAIV-HTQZYQBOSA-N 1 0 204.295 -0.923 40 0 BBABRO CCN1CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000253495522 170000786 /nfs/dbraw/zinc/00/07/86/170000786.db2.gz HODHKGIHWXJAIV-SFYZADRCSA-N 1 0 204.295 -0.923 40 0 BBABRO CCN1CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]21 ZINC000253495523 170001159 /nfs/dbraw/zinc/00/11/59/170001159.db2.gz HODHKGIHWXJAIV-YUMQZZPRSA-N 1 0 204.295 -0.923 40 0 BBABRO CC(C)CN1CC[NH2+][C@@H]2CS(=O)(=O)C[C@H]21 ZINC000253495564 350930128 /nfs/dbraw/zinc/93/01/28/350930128.db2.gz JIBXVXKFDBIJML-NXEZZACHSA-N 1 0 232.349 -0.287 40 0 BBABRO CC(C)CN1CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]21 ZINC000253495565 350929712 /nfs/dbraw/zinc/92/97/12/350929712.db2.gz JIBXVXKFDBIJML-UWVGGRQHSA-N 1 0 232.349 -0.287 40 0 BBABRO CC(C)CN1CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000253495567 350929835 /nfs/dbraw/zinc/92/98/35/350929835.db2.gz JIBXVXKFDBIJML-ZJUUUORDSA-N 1 0 232.349 -0.287 40 0 BBABRO COCCC1([NH3+])CCS(=O)(=O)CC1 ZINC000255189251 174157964 /nfs/dbraw/zinc/15/79/64/174157964.db2.gz OQXUIVBXGMTJSL-UHFFFAOYSA-N 1 0 207.295 -0.071 40 0 BBABRO CN1CCCc2c(=O)nc(N3CC[NH2+]CC3)[nH]c21 ZINC000256050942 370636170 /nfs/dbraw/zinc/63/61/70/370636170.db2.gz HCYQZKMKFBJSAD-UHFFFAOYSA-N 1 0 249.318 -0.026 40 0 BBABRO NC(=O)CCc1cncc([C@@H]2C[NH2+]CCO2)n1 ZINC000257198047 181227858 /nfs/dbraw/zinc/22/78/58/181227858.db2.gz RICARZIMLMNCNO-JTQLQIEISA-N 1 0 236.275 -0.445 40 0 BBABRO NC(=O)CCc1cncc([C@H]2C[NH2+]CCO2)n1 ZINC000257198048 181228268 /nfs/dbraw/zinc/22/82/68/181228268.db2.gz RICARZIMLMNCNO-SNVBAGLBSA-N 1 0 236.275 -0.445 40 0 BBABRO C[NH2+][C@H]1CCC[C@H](n2ccc(=O)[nH]c2=O)[C@H]1O ZINC000257199647 388697645 /nfs/dbraw/zinc/69/76/45/388697645.db2.gz AAGIFVJHIYWODI-NRPADANISA-N 1 0 239.275 -0.377 40 0 BBABRO [NH3+][C@@H]1C[C@H]2Oc3cccnc3N[C@H]2[C@@H]1O ZINC000257200373 385753080 /nfs/dbraw/zinc/75/30/80/385753080.db2.gz ACZWTWNLDPMNKT-ZOQUXTDFSA-N 1 0 207.233 -0.285 40 0 BBABRO C[NH2+]CC(=O)N[C@@H]1CCC[C@@H](OC)[C@@H]1O ZINC000257200900 173331982 /nfs/dbraw/zinc/33/19/82/173331982.db2.gz AFHJYPZVFZXGMH-NQMVMOMDSA-N 1 0 216.281 -0.750 40 0 BBABRO COCC(=O)N[C@@H]1C[N@@H+](C2CCCC2)C[C@H]1O ZINC000257200985 174053717 /nfs/dbraw/zinc/05/37/17/174053717.db2.gz AFQOBBRTAHYGLB-GHMZBOCLSA-N 1 0 242.319 -0.263 40 0 BBABRO [NH3+][C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1O ZINC000257201745 385753893 /nfs/dbraw/zinc/75/38/93/385753893.db2.gz AIWSQNNJJOGIKS-ZNSHCXBVSA-N 1 0 209.245 -0.113 40 0 BBABRO O[C@@H]1[C@@H](O)C[C@@H](C[NH2+]Cc2ccccc2)[C@@H]1O ZINC000257205938 183246184 /nfs/dbraw/zinc/24/61/84/183246184.db2.gz BBDJKPHWGMMUIH-ZDEQEGDKSA-N 1 0 237.299 -0.121 40 0 BBABRO NC(=O)c1ccc2ccn([C@@H]3C[NH2+]C[C@H]3O)c2n1 ZINC000257210204 181302570 /nfs/dbraw/zinc/30/25/70/181302570.db2.gz BTQLBZWKNXGSAD-NXEZZACHSA-N 1 0 246.270 -0.360 40 0 BBABRO C[N@@H+]1CCN(Cc2cccnc2)C[C@@H](C(N)=O)C1 ZINC000257212415 173090582 /nfs/dbraw/zinc/09/05/82/173090582.db2.gz CDHNVAJLVJEMAU-LBPRGKRZSA-N 1 0 248.330 -0.070 40 0 BBABRO CCOCC(=O)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257212687 170342560 /nfs/dbraw/zinc/34/25/60/170342560.db2.gz CENRIEWTKWWFRF-GHMZBOCLSA-N 1 0 242.319 -0.310 40 0 BBABRO Nc1nc2c(c(N)n1)CC1(CC[NH2+]CC1)O2 ZINC000257220286 385753140 /nfs/dbraw/zinc/75/31/40/385753140.db2.gz DKGTWGARQDPAHL-UHFFFAOYSA-N 1 0 221.264 -0.302 40 0 BBABRO COCC(=O)N1CC[N@@H+](C(C)C)C[C@@H]1C(N)=O ZINC000257220558 174042858 /nfs/dbraw/zinc/04/28/58/174042858.db2.gz DLFGHZVEEDOBMX-SECBINFHSA-N 1 0 243.307 -0.961 40 0 BBABRO COCC(=O)N1CC[N@@H+](C(C)C)C[C@H]1C(N)=O ZINC000257220559 174043154 /nfs/dbraw/zinc/04/31/54/174043154.db2.gz DLFGHZVEEDOBMX-VIFPVBQESA-N 1 0 243.307 -0.961 40 0 BBABRO C[N@@H+]1CCN(C(=O)CC2CC2)C[C@@H](C(N)=O)C1 ZINC000257220901 173063783 /nfs/dbraw/zinc/06/37/83/173063783.db2.gz DMSLPQYOFZMEAP-JTQLQIEISA-N 1 0 239.319 -0.338 40 0 BBABRO C[N@@H+]1CCN(C(=O)CC2CC2)C[C@H](C(N)=O)C1 ZINC000257220902 173064498 /nfs/dbraw/zinc/06/44/98/173064498.db2.gz DMSLPQYOFZMEAP-SNVBAGLBSA-N 1 0 239.319 -0.338 40 0 BBABRO COCC(=O)N[C@@H]1C[N@H+](CC(C)(C)C)C[C@H]1O ZINC000257222529 174054783 /nfs/dbraw/zinc/05/47/83/174054783.db2.gz DTQAHDJGMSZDKA-NXEZZACHSA-N 1 0 244.335 -0.160 40 0 BBABRO Cc1nc([C@@H]2CN(CCO)CCO2)cc(=O)[nH]1 ZINC000257222645 188369575 /nfs/dbraw/zinc/36/95/75/188369575.db2.gz DUECHDPDGOVMTK-JTQLQIEISA-N 1 0 239.275 -0.144 40 0 BBABRO CO[C@H]1CN(CC(N)=O)CC[C@@]12CCCO2 ZINC000257224514 385755937 /nfs/dbraw/zinc/75/59/37/385755937.db2.gz FCDIJKOBEFGKKM-ONGXEEELSA-N 1 0 228.292 -0.258 40 0 BBABRO O=C1CO[C@@H]2CCN(Cc3ncc[nH]3)C[C@@H]2N1 ZINC000257225110 385754377 /nfs/dbraw/zinc/75/43/77/385754377.db2.gz FEVPRWVCDFFFMZ-DTWKUNHWSA-N 1 0 236.275 -0.501 40 0 BBABRO NC(=O)CC[NH+]1CCC2(CC1)OCCC[C@@H]2O ZINC000257225361 181223210 /nfs/dbraw/zinc/22/32/10/181223210.db2.gz FFWSMZSIXSRZMC-JTQLQIEISA-N 1 0 242.319 -0.132 40 0 BBABRO NC(=O)CC[NH+]1CCC2(CC1)OCCC[C@H]2O ZINC000257225362 181222957 /nfs/dbraw/zinc/22/29/57/181222957.db2.gz FFWSMZSIXSRZMC-SNVBAGLBSA-N 1 0 242.319 -0.132 40 0 BBABRO [NH3+]CC(=O)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O ZINC000257227251 181353196 /nfs/dbraw/zinc/35/31/96/181353196.db2.gz FOHYQRYTTJDMSD-FXPVBKGRSA-N 1 0 238.291 -0.588 40 0 BBABRO CC[NH2+]C[C@]1(C)Cc2c(nc(N)nc2N)O1 ZINC000257230936 170123242 /nfs/dbraw/zinc/12/32/42/170123242.db2.gz GENYLPFDONWLAM-JTQLQIEISA-N 1 0 223.280 -0.056 40 0 BBABRO CC[NH2+]C[C@@]1(C)Cc2c(nc(N)nc2N)O1 ZINC000257230937 170120863 /nfs/dbraw/zinc/12/08/63/170120863.db2.gz GENYLPFDONWLAM-SNVBAGLBSA-N 1 0 223.280 -0.056 40 0 BBABRO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCc3ccccc3C2)[C@@H]1O ZINC000257232951 181598851 /nfs/dbraw/zinc/59/88/51/181598851.db2.gz GNBZEITVSTVRIV-XJFOESAGSA-N 1 0 248.326 -0.134 40 0 BBABRO NC(=O)C[C@H]1CC[C@@H](C[NH3+])N1C(=O)C1CCC1 ZINC000257233314 385755382 /nfs/dbraw/zinc/75/53/82/385755382.db2.gz GOSJKMZCJAVRAE-ZJUUUORDSA-N 1 0 239.319 -0.020 40 0 BBABRO O[C@H]1C[NH2+]C[C@H]1Cc1cn2ccnc2cn1 ZINC000257238580 183245990 /nfs/dbraw/zinc/24/59/90/183245990.db2.gz HLRGOCCJFAYMRH-SCZZXKLOSA-N 1 0 218.260 -0.148 40 0 BBABRO O[C@@H]1C[NH2+]C[C@@H]1Cc1cn2ccnc2cn1 ZINC000257238581 183208197 /nfs/dbraw/zinc/20/81/97/183208197.db2.gz HLRGOCCJFAYMRH-WCBMZHEXSA-N 1 0 218.260 -0.148 40 0 BBABRO O=c1cc(C[C@@H]2C[NH2+]CCOC2)nc[nH]1 ZINC000257239846 183256274 /nfs/dbraw/zinc/25/62/74/183256274.db2.gz HRBFFMOCAXUQCN-MRVPVSSYSA-N 1 0 209.249 -0.039 40 0 BBABRO O=c1cc(C[C@H]2C[NH2+]CCOC2)nc[nH]1 ZINC000257239847 183256886 /nfs/dbraw/zinc/25/68/86/183256886.db2.gz HRBFFMOCAXUQCN-QMMMGPOBSA-N 1 0 209.249 -0.039 40 0 BBABRO O=C(N[C@@H]1C[NH2+]C[C@H]1O)c1ccccn1 ZINC000257240573 182313864 /nfs/dbraw/zinc/31/38/64/182313864.db2.gz HUDYSVLASSFAFF-RKDXNWHRSA-N 1 0 207.233 -0.856 40 0 BBABRO CS(=O)(=O)N[C@@H]1C[N@@H+](C2CCCC2)C[C@H]1O ZINC000257244805 385755041 /nfs/dbraw/zinc/75/50/41/385755041.db2.gz IMWPBBXSDLLPRD-NXEZZACHSA-N 1 0 248.348 -0.477 40 0 BBABRO NC(=O)c1ccnc2c1ccn2[C@@H]1C[NH2+]C[C@H]1O ZINC000257245562 181307568 /nfs/dbraw/zinc/30/75/68/181307568.db2.gz IQCKJYCJYOPZMW-NXEZZACHSA-N 1 0 246.270 -0.360 40 0 BBABRO C[C@]1(O)C[NH2+]CC[C@@H]1n1ccc(=O)[nH]c1=O ZINC000257249357 388698169 /nfs/dbraw/zinc/69/81/69/388698169.db2.gz JHWWTTSCKFFOIQ-XVKPBYJWSA-N 1 0 225.248 -0.766 40 0 BBABRO CCOCC[N@@H+]1CCN(C)C[C@H](C(N)=O)C1 ZINC000257249845 170399361 /nfs/dbraw/zinc/39/93/61/170399361.db2.gz JJZJDIIFGAQVEU-JTQLQIEISA-N 1 0 229.324 -0.628 40 0 BBABRO CCOCC[N@@H+]1CCN(C)C[C@@H](C(N)=O)C1 ZINC000257249846 170399188 /nfs/dbraw/zinc/39/91/88/170399188.db2.gz JJZJDIIFGAQVEU-SNVBAGLBSA-N 1 0 229.324 -0.628 40 0 BBABRO Cc1cn([C@H]2CC[NH2+]C[C@]2(C)O)c(=O)[nH]c1=O ZINC000257255232 388697959 /nfs/dbraw/zinc/69/79/59/388697959.db2.gz KGQPYBSQPSRFFX-KWQFWETISA-N 1 0 239.275 -0.457 40 0 BBABRO C[NH+](C)[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1O ZINC000257256140 385758549 /nfs/dbraw/zinc/75/85/49/385758549.db2.gz KKGBPCPJXAAVJJ-NXEZZACHSA-N 1 0 238.291 -0.915 40 0 BBABRO NC(=O)CC[N@@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257257755 181224592 /nfs/dbraw/zinc/22/45/92/181224592.db2.gz KQYOTFKKDNOBMY-ONGXEEELSA-N 1 0 228.292 -0.522 40 0 BBABRO CC(=O)N[C@H]1CC2(CC[NH2+]CC2)OC[C@]1(C)O ZINC000257258280 388698891 /nfs/dbraw/zinc/69/88/91/388698891.db2.gz KTDDDIQOTHIKAR-QWRGUYRKSA-N 1 0 242.319 -0.215 40 0 BBABRO CO[C@@H]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)[C@H]1O ZINC000257263163 385759628 /nfs/dbraw/zinc/75/96/28/385759628.db2.gz LORIXJPLQRRANI-GMTAPVOTSA-N 1 0 242.319 -0.360 40 0 BBABRO Nc1nc2c(c(N)n1)C[C@@]1(CC[NH2+]C1)O2 ZINC000257263164 385759024 /nfs/dbraw/zinc/75/90/24/385759024.db2.gz LORNRBNLWAYJRA-SECBINFHSA-N 1 0 207.237 -0.692 40 0 BBABRO Nc1nc2c(c(N)n1)C[C@]1(CC[NH2+]C1)O2 ZINC000257263165 385757464 /nfs/dbraw/zinc/75/74/64/385757464.db2.gz LORNRBNLWAYJRA-VIFPVBQESA-N 1 0 207.237 -0.692 40 0 BBABRO Cc1c[nH]nc1[C@H]1COCCN1C(=O)CC[NH3+] ZINC000257267628 385759517 /nfs/dbraw/zinc/75/95/17/385759517.db2.gz MICWJXPDGYLBAU-SECBINFHSA-N 1 0 238.291 -0.033 40 0 BBABRO Cc1c[nH]nc1[C@@H]1COCCN1C(=O)CC[NH3+] ZINC000257267629 385758148 /nfs/dbraw/zinc/75/81/48/385758148.db2.gz MICWJXPDGYLBAU-VIFPVBQESA-N 1 0 238.291 -0.033 40 0 BBABRO CS(=O)(=O)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257272049 385758205 /nfs/dbraw/zinc/75/82/05/385758205.db2.gz NAWLXOKTKGJHMX-RKDXNWHRSA-N 1 0 234.321 -0.913 40 0 BBABRO CC(=O)N1CCN(C)[C@H](C(=O)N2CCCC2)C1 ZINC000257272491 187330304 /nfs/dbraw/zinc/33/03/04/187330304.db2.gz NCOZYAPVFVWLRA-NSHDSACASA-N 1 0 239.319 -0.229 40 0 BBABRO C[NH2+][C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257273073 388698242 /nfs/dbraw/zinc/69/82/42/388698242.db2.gz NFDNZYFNKAOIKF-OPRDCNLKSA-N 1 0 200.282 -0.570 40 0 BBABRO Nc1ncnc2c1ncn2[C@H]1CCC[C@H]([NH3+])[C@@H]1O ZINC000257280973 385761113 /nfs/dbraw/zinc/76/11/13/385761113.db2.gz ONDPHMPWBSSSOD-ZKWXMUAHSA-N 1 0 248.290 -0.178 40 0 BBABRO [NH3+]CC(=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257284892 181350364 /nfs/dbraw/zinc/35/03/64/181350364.db2.gz PETARLHGYCXWGK-WPRPVWTQSA-N 1 0 214.265 -0.913 40 0 BBABRO Cc1cn([C@@H]2C[NH2+]CC[C@@]2(C)O)c(=O)[nH]c1=O ZINC000257287212 388698352 /nfs/dbraw/zinc/69/83/52/388698352.db2.gz POYZTMDKONRAHR-LDYMZIIASA-N 1 0 239.275 -0.457 40 0 BBABRO C[NH+](C)[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1O ZINC000257289302 385760091 /nfs/dbraw/zinc/76/00/91/385760091.db2.gz PYAKMSNESSTDLD-NXEZZACHSA-N 1 0 238.291 -0.984 40 0 BBABRO CCOCC(=O)N1[C@@H](CC(N)=O)CC[C@H]1C[NH3+] ZINC000257289361 170342159 /nfs/dbraw/zinc/34/21/59/170342159.db2.gz PYGXXIXBKAZZHX-BDAKNGLRSA-N 1 0 243.307 -0.783 40 0 BBABRO CN(C)S(=O)(=O)N1C[C@@H]2CCCC[NH2+][C@@H]2C1 ZINC000257289499 385762169 /nfs/dbraw/zinc/76/21/69/385762169.db2.gz PYXJRUXKWLGXOT-VHSXEESVSA-N 1 0 247.364 -0.133 40 0 BBABRO C[NH2+]CC(=O)N[C@@H]1CCCC[C@@H](OC)[C@@H]1O ZINC000257290339 173331814 /nfs/dbraw/zinc/33/18/14/173331814.db2.gz QCNRVGSIBNMEDI-FXPVBKGRSA-N 1 0 230.308 -0.360 40 0 BBABRO C[NH+](C)[C@@H]1CN(C(=O)c2cncs2)C[C@H]1O ZINC000257291705 385761023 /nfs/dbraw/zinc/76/10/23/385761023.db2.gz QIGIWBSCNVLRCB-HTQZYQBOSA-N 1 0 241.316 -0.110 40 0 BBABRO CCCS(=O)(=O)N1C[C@@H](O)[C@H]([NH+](C)C)C1 ZINC000257292135 169332079 /nfs/dbraw/zinc/33/20/79/169332079.db2.gz QKDGIGOKMBTGOS-RKDXNWHRSA-N 1 0 236.337 -0.667 40 0 BBABRO NC(=O)c1cnc(NC2CC2)nc1CC[NH3+] ZINC000257292804 388698445 /nfs/dbraw/zinc/69/84/45/388698445.db2.gz QMZVHEUUNANWRU-UHFFFAOYSA-N 1 0 221.264 -0.349 40 0 BBABRO CC(C)S(=O)(=O)N1C[C@@H](O)[C@H]([NH+](C)C)C1 ZINC000257295690 167319423 /nfs/dbraw/zinc/31/94/23/167319423.db2.gz QZMDEYXKFSBKHH-RKDXNWHRSA-N 1 0 236.337 -0.669 40 0 BBABRO CCC(=O)N1[C@@H](CC(N)=O)CC[C@H]1C[NH3+] ZINC000257295694 168227715 /nfs/dbraw/zinc/22/77/15/168227715.db2.gz QZMKHMNNKCSDEI-SFYZADRCSA-N 1 0 213.281 -0.410 40 0 BBABRO Nc1ncnc2c1ncn2[C@H]1CC[C@H]([NH3+])[C@@H]1O ZINC000257297221 385761475 /nfs/dbraw/zinc/76/14/75/385761475.db2.gz RGJOUYYWYJANCP-HAFWLYHUSA-N 1 0 234.263 -0.568 40 0 BBABRO CCS(=O)(=O)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000257303278 385760243 /nfs/dbraw/zinc/76/02/43/385760243.db2.gz SGNFLVJNRQNZDZ-NXEZZACHSA-N 1 0 248.348 -0.523 40 0 BBABRO CC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC000257306110 188020017 /nfs/dbraw/zinc/02/00/17/188020017.db2.gz SSYJAEBKKGEQQC-VXGBXAGGSA-N 1 0 242.319 -0.406 40 0 BBABRO Cn1cc(C(=O)N2C[C@@H](O)[C@H]([NH+](C)C)C2)cn1 ZINC000257306448 385761081 /nfs/dbraw/zinc/76/10/81/385761081.db2.gz SUIBTWKEPFZJGS-NXEZZACHSA-N 1 0 238.291 -0.833 40 0 BBABRO CN(C)C(=O)[C@@H]1C[NH2+]Cc2cn(C)nc21 ZINC000257306762 172384798 /nfs/dbraw/zinc/38/47/98/172384798.db2.gz SVTSASTWSCRERS-MRVPVSSYSA-N 1 0 208.265 -0.305 40 0 BBABRO CN(C)C(=O)[C@H]1C[NH2+]Cc2cn(C)nc21 ZINC000257306763 172386094 /nfs/dbraw/zinc/38/60/94/172386094.db2.gz SVTSASTWSCRERS-QMMMGPOBSA-N 1 0 208.265 -0.305 40 0 BBABRO Nc1nn([C@H]2C[NH2+]C[C@@H]2O)c2ncccc12 ZINC000257307716 385762157 /nfs/dbraw/zinc/76/21/57/385762157.db2.gz SZXWEFXSGYESPL-YUMQZZPRSA-N 1 0 219.248 -0.481 40 0 BBABRO [NH3+][C@@H]1CC[C@H](O)[C@H](O)[C@H]1N1CCCCC1 ZINC000257309128 385761919 /nfs/dbraw/zinc/76/19/19/385761919.db2.gz TZRAPYIRTIWUAR-RCWTZXSCSA-N 1 0 214.309 -0.316 40 0 BBABRO COc1cccc(O[C@@H]2C[C@@H]([NH3+])[C@H](O)[C@H]2O)c1 ZINC000257309902 175284657 /nfs/dbraw/zinc/28/46/57/175284657.db2.gz UCWLTHSFIWMHAE-WYUUTHIRSA-N 1 0 239.271 -0.105 40 0 BBABRO C[NH2+][C@@H]1CC[C@H](n2cnc3c2ncnc3N)[C@H]1O ZINC000257312001 173438754 /nfs/dbraw/zinc/43/87/54/173438754.db2.gz ULZIEMQHTZNTID-FJXKBIBVSA-N 1 0 248.290 -0.308 40 0 BBABRO C[NH2+][C@H]1CC[C@H](n2cnc3c2ncnc3N)[C@H]1O ZINC000257312002 173468282 /nfs/dbraw/zinc/46/82/82/173468282.db2.gz ULZIEMQHTZNTID-ZKWXMUAHSA-N 1 0 248.290 -0.308 40 0 BBABRO O=c1[nH]c(=O)n([C@H]2C[NH2+]C[C@@H]2O)cc1Cl ZINC000257314234 183009135 /nfs/dbraw/zinc/00/91/35/183009135.db2.gz UVYPLILEGSMRNV-WDSKDSINSA-N 1 0 231.639 -0.893 40 0 BBABRO CC(C)C(=O)N1[C@@H](CC(N)=O)CC[C@H]1C[NH3+] ZINC000257315379 388697988 /nfs/dbraw/zinc/69/79/88/388697988.db2.gz VBCCDRYPTSUAOX-BDAKNGLRSA-N 1 0 227.308 -0.164 40 0 BBABRO C[NH+](C)[C@H]1CCN(S(C)(=O)=O)CC[C@@H]1O ZINC000257317520 385764985 /nfs/dbraw/zinc/76/49/85/385764985.db2.gz VKBYOBOBUBKTEK-IUCAKERBSA-N 1 0 236.337 -0.667 40 0 BBABRO O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)C1CC[NH2+]CC1 ZINC000257318394 182297778 /nfs/dbraw/zinc/29/77/78/182297778.db2.gz VNTAFOGQYXXEDK-GMTAPVOTSA-N 1 0 242.319 -0.624 40 0 BBABRO [NH3+]CC(=O)N1CCOC[C@@H]1c1cc[nH]n1 ZINC000257318657 181350229 /nfs/dbraw/zinc/35/02/29/181350229.db2.gz VOXKCUVRWOQSGW-MRVPVSSYSA-N 1 0 210.237 -0.732 40 0 BBABRO [NH3+]CC(=O)N1CCOC[C@H]1c1cc[nH]n1 ZINC000257318658 181350294 /nfs/dbraw/zinc/35/02/94/181350294.db2.gz VOXKCUVRWOQSGW-QMMMGPOBSA-N 1 0 210.237 -0.732 40 0 BBABRO CS(=O)(=O)N1CCC[C@@]12CC[NH2+]C[C@@H]2O ZINC000257319677 388698003 /nfs/dbraw/zinc/69/80/03/388698003.db2.gz VTOSTKWEHBYVEB-IUCAKERBSA-N 1 0 234.321 -0.865 40 0 BBABRO [NH3+]CC(=O)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 ZINC000257320561 181349257 /nfs/dbraw/zinc/34/92/57/181349257.db2.gz VXJFHNCSZPQWSK-UWVGGRQHSA-N 1 0 238.291 -0.634 40 0 BBABRO CCn1ccc(NC(=O)[C@H]2C[NH2+]CCN2C)n1 ZINC000257321956 172201575 /nfs/dbraw/zinc/20/15/75/172201575.db2.gz WEBLZCQWTDPFJH-SECBINFHSA-N 1 0 237.307 -0.255 40 0 BBABRO CCn1ccc(NC(=O)[C@@H]2C[NH2+]CCN2C)n1 ZINC000257321957 172201557 /nfs/dbraw/zinc/20/15/57/172201557.db2.gz WEBLZCQWTDPFJH-VIFPVBQESA-N 1 0 237.307 -0.255 40 0 BBABRO CC(=O)N1CC[C@@H]2[NH2+][C@@](C)(CO)C[C@H]2C1 ZINC000257323551 388698745 /nfs/dbraw/zinc/69/87/45/388698745.db2.gz WKVOVVVIPIMMTM-GARJFASQSA-N 1 0 212.293 -0.032 40 0 BBABRO C[N@@H+]1CCN(c2ccncn2)C[C@H](C(N)=O)C1 ZINC000257324605 173093816 /nfs/dbraw/zinc/09/38/16/173093816.db2.gz WPLDXGYXBDIZHG-SECBINFHSA-N 1 0 235.291 -0.670 40 0 BBABRO C[N@@H+]1CCN(c2ccncn2)C[C@@H](C(N)=O)C1 ZINC000257324606 173095819 /nfs/dbraw/zinc/09/58/19/173095819.db2.gz WPLDXGYXBDIZHG-VIFPVBQESA-N 1 0 235.291 -0.670 40 0 BBABRO C[N@@H+]1CCN(Cc2ccncc2)[C@@H](C(N)=O)C1 ZINC000257325887 173091126 /nfs/dbraw/zinc/09/11/26/173091126.db2.gz WUXDZRKHWFBUEX-LLVKDONJSA-N 1 0 234.303 -0.317 40 0 BBABRO C[N@@H+]1CCN(Cc2ccncc2)[C@H](C(N)=O)C1 ZINC000257325888 173090090 /nfs/dbraw/zinc/09/00/90/173090090.db2.gz WUXDZRKHWFBUEX-NSHDSACASA-N 1 0 234.303 -0.317 40 0 BBABRO C[N@@H+]1CCN(Cc2cnccn2)C[C@@H](C(N)=O)C1 ZINC000257326267 173090569 /nfs/dbraw/zinc/09/05/69/173090569.db2.gz WWNWTNOKUOZVTB-JTQLQIEISA-N 1 0 249.318 -0.675 40 0 BBABRO C[N@@H+]1CCN(Cc2cnccn2)C[C@H](C(N)=O)C1 ZINC000257326268 173089510 /nfs/dbraw/zinc/08/95/10/173089510.db2.gz WWNWTNOKUOZVTB-SNVBAGLBSA-N 1 0 249.318 -0.675 40 0 BBABRO CO[C@H]1C[N@H+](CCC(N)=O)C[C@@]12CCCO2 ZINC000257328480 385763852 /nfs/dbraw/zinc/76/38/52/385763852.db2.gz XFUICFOBORCWDV-ONGXEEELSA-N 1 0 228.292 -0.258 40 0 BBABRO Nc1cccc([C@H]2CN(C(=O)C[NH3+])CCO2)n1 ZINC000257328978 181349721 /nfs/dbraw/zinc/34/97/21/181349721.db2.gz XHWVTVWUSXCHEB-SECBINFHSA-N 1 0 236.275 -0.478 40 0 BBABRO Nc1cccc([C@@H]2CN(C(=O)C[NH3+])CCO2)n1 ZINC000257328979 181349895 /nfs/dbraw/zinc/34/98/95/181349895.db2.gz XHWVTVWUSXCHEB-VIFPVBQESA-N 1 0 236.275 -0.478 40 0 BBABRO Nc1ncnc2c1ncn2[C@H]1CC[NH2+]CC[C@@H]1O ZINC000257332383 388698592 /nfs/dbraw/zinc/69/85/92/388698592.db2.gz XXCCEACFBBKKIJ-YUMQZZPRSA-N 1 0 248.290 -0.306 40 0 BBABRO [NH3+][C@H]1CCC[C@H](n2ccc(=O)[nH]c2=O)[C@H]1O ZINC000257333672 385763903 /nfs/dbraw/zinc/76/39/03/385763903.db2.gz YCOOUKPNDKKWQS-ZKWXMUAHSA-N 1 0 225.248 -0.638 40 0 BBABRO Cc1cn([C@H]2CC[NH2+]CC[C@@H]2O)c(=O)[nH]c1=O ZINC000257336429 388698805 /nfs/dbraw/zinc/69/88/05/388698805.db2.gz YOIYSAPISQDOHC-IUCAKERBSA-N 1 0 239.275 -0.457 40 0 BBABRO C[C@]1(C(N)=O)C[N@@H+](C2CCOCC2)CCO1 ZINC000257337231 385763757 /nfs/dbraw/zinc/76/37/57/385763757.db2.gz YRYPMFFGIUHMQX-LLVKDONJSA-N 1 0 228.292 -0.258 40 0 BBABRO C[C@@]1(C(N)=O)C[N@@H+](C2CCOCC2)CCO1 ZINC000257337232 385763616 /nfs/dbraw/zinc/76/36/16/385763616.db2.gz YRYPMFFGIUHMQX-NSHDSACASA-N 1 0 228.292 -0.258 40 0 BBABRO NC(=O)CC[N@@H+]1C[C@H](O)[C@]2(CCCO2)C1 ZINC000257338284 181224392 /nfs/dbraw/zinc/22/43/92/181224392.db2.gz YWSQYOPLDFAEJR-WPRPVWTQSA-N 1 0 214.265 -0.913 40 0 BBABRO C[NH+](C)[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1O ZINC000257339316 385764243 /nfs/dbraw/zinc/76/42/43/385764243.db2.gz ZBFSUDJNDZGUFJ-NXEZZACHSA-N 1 0 238.291 -0.984 40 0 BBABRO CN1C(=O)CC[C@@H]2[N@H+](CCC(N)=O)CC[C@@]21C ZINC000257342016 385764966 /nfs/dbraw/zinc/76/49/66/385764966.db2.gz ZMSOYAJECKZQBY-CABZTGNLSA-N 1 0 239.319 -0.053 40 0 BBABRO CNC(=O)[C@@H]1CN(c2ncccn2)CC[N@H+](C)C1 ZINC000257344726 173308081 /nfs/dbraw/zinc/30/80/81/173308081.db2.gz ZYLFAKAYTVLWBR-JTQLQIEISA-N 1 0 249.318 -0.409 40 0 BBABRO CNC(=O)[C@H]1CN(c2ncccn2)CC[N@H+](C)C1 ZINC000257344727 173299748 /nfs/dbraw/zinc/29/97/48/173299748.db2.gz ZYLFAKAYTVLWBR-SNVBAGLBSA-N 1 0 249.318 -0.409 40 0 BBABRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)nn1C ZINC000257690946 526258762 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BBABRO CO[C@@H]1CN(C2CC[NH2+]CC2)C[C@H]1O ZINC000306887994 343797240 /nfs/dbraw/zinc/79/72/40/343797240.db2.gz VIULZCSGEYZBMB-NXEZZACHSA-N 1 0 200.282 -0.570 40 0 BBABRO C[NH2+]C1CN(S(=O)(=O)c2cnoc2)C1 ZINC000307278780 385318823 /nfs/dbraw/zinc/31/88/23/385318823.db2.gz VKXITXSYSHNTFD-UHFFFAOYSA-N 1 0 217.250 -0.733 40 0 BBABRO Cn1cc(C(=O)N2CCC[C@@H]([NH3+])C2)nn1 ZINC000308981222 343790525 /nfs/dbraw/zinc/79/05/25/343790525.db2.gz SFMWEHFSYOOAFI-SSDOTTSWSA-N 1 0 209.253 -0.622 40 0 BBABRO Cn1cc(C(=O)N2CCC[C@H]([NH3+])C2)nn1 ZINC000308981223 343790837 /nfs/dbraw/zinc/79/08/37/343790837.db2.gz SFMWEHFSYOOAFI-ZETCQYMHSA-N 1 0 209.253 -0.622 40 0 BBABRO O=c1[nH]cnc2nc(N3CC[NH2+]CC3)ncc12 ZINC000328579341 132244027 /nfs/dbraw/zinc/24/40/27/132244027.db2.gz BQQDWRDBKYKUMA-UHFFFAOYSA-N 1 0 232.247 -0.465 40 0 BBABRO Cc1ncc2c(ncn(CC[NH3+])c2=O)n1 ZINC000328579670 180175376 /nfs/dbraw/zinc/17/53/76/180175376.db2.gz VSXIXPLIYLRJHE-UHFFFAOYSA-N 1 0 205.221 -0.546 40 0 BBABRO CNc1cc(C2CC2)[nH+]c(NCCO)n1 ZINC000329039696 173209274 /nfs/dbraw/zinc/20/92/74/173209274.db2.gz RYUYBOJCGBGCMR-UHFFFAOYSA-N 1 0 208.265 -0.356 40 0 BBABRO C1=c2cccnc2=N[C@H]1C1CC[NH2+]CC1 ZINC000329057268 188225493 /nfs/dbraw/zinc/22/54/93/188225493.db2.gz VWWDCBRYWWANMX-LLVKDONJSA-N 1 0 201.273 -0.137 40 0 BBABRO C1=c2cccnc2=N[C@@H]1C1CC[NH2+]CC1 ZINC000329057271 187537693 /nfs/dbraw/zinc/53/76/93/187537693.db2.gz VWWDCBRYWWANMX-NSHDSACASA-N 1 0 201.273 -0.137 40 0 BBABRO Cc1nnnn1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000331659012 386878715 /nfs/dbraw/zinc/87/87/15/386878715.db2.gz LXQBCXRONKPMEY-SECBINFHSA-N 1 0 211.269 -0.563 40 0 BBABRO Cc1nnnn1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000331659016 386878398 /nfs/dbraw/zinc/87/83/98/386878398.db2.gz LXQBCXRONKPMEY-VIFPVBQESA-N 1 0 211.269 -0.563 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CCSC2)CC1 ZINC000372100992 384502444 /nfs/dbraw/zinc/50/24/44/384502444.db2.gz HACTXPKBAXKVIL-NXEZZACHSA-N 1 0 243.376 -0.017 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CCN([C@H]2CCSC2)CC1 ZINC000372100995 385325179 /nfs/dbraw/zinc/32/51/79/385325179.db2.gz HACTXPKBAXKVIL-UWVGGRQHSA-N 1 0 243.376 -0.017 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CCN([C@@H]2CCSC2)CC1 ZINC000372100996 385324742 /nfs/dbraw/zinc/32/47/42/385324742.db2.gz HACTXPKBAXKVIL-VHSXEESVSA-N 1 0 243.376 -0.017 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1CCN([C@H]2CCSC2)CC1 ZINC000372100997 384501802 /nfs/dbraw/zinc/50/18/02/384501802.db2.gz HACTXPKBAXKVIL-ZJUUUORDSA-N 1 0 243.376 -0.017 40 0 BBABRO [NH3+]CC(=O)N1CCN([C@@H]2CCSC2)CC1 ZINC000372102776 181350389 /nfs/dbraw/zinc/35/03/89/181350389.db2.gz QOJSDPVFPKRAFX-SECBINFHSA-N 1 0 229.349 -0.405 40 0 BBABRO [NH3+]CC(=O)N1CCN([C@H]2CCSC2)CC1 ZINC000372102778 181350793 /nfs/dbraw/zinc/35/07/93/181350793.db2.gz QOJSDPVFPKRAFX-VIFPVBQESA-N 1 0 229.349 -0.405 40 0 BBABRO C[NH2+]CC(=O)N1CCN([C@H]2CCSC2)CC1 ZINC000372104035 173325888 /nfs/dbraw/zinc/32/58/88/173325888.db2.gz YNQWGWTWSHIMNZ-JTQLQIEISA-N 1 0 243.376 -0.145 40 0 BBABRO C[NH2+]CC(=O)N1CCN([C@@H]2CCSC2)CC1 ZINC000372104038 173326119 /nfs/dbraw/zinc/32/61/19/173326119.db2.gz YNQWGWTWSHIMNZ-SNVBAGLBSA-N 1 0 243.376 -0.145 40 0 BBABRO [NH2+]=C(CN1CC[C@@](O)(C(F)(F)F)C1)NO ZINC000380058800 343796211 /nfs/dbraw/zinc/79/62/11/343796211.db2.gz ZBCQCOJJDTZZGG-LURJTMIESA-N 1 0 227.186 -0.058 40 0 BBABRO [NH2+]=C(CN1CC[C@](O)(C(F)(F)F)C1)NO ZINC000380058801 343795987 /nfs/dbraw/zinc/79/59/87/343795987.db2.gz ZBCQCOJJDTZZGG-ZCFIWIBFSA-N 1 0 227.186 -0.058 40 0 BBABRO CCOC(=O)c1cc2n(n1)C[C@H](O)C[NH2+]C2 ZINC000380899670 384782470 /nfs/dbraw/zinc/78/24/70/384782470.db2.gz VWMCYJVTIQNXAI-MRVPVSSYSA-N 1 0 225.248 -0.476 40 0 BBABRO CCOC(=O)c1cc2n(n1)C[C@@H](O)C[NH2+]C2 ZINC000380899676 384781416 /nfs/dbraw/zinc/78/14/16/384781416.db2.gz VWMCYJVTIQNXAI-QMMMGPOBSA-N 1 0 225.248 -0.476 40 0 BBABRO C[C@@H](O)[C@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000381583152 343796467 /nfs/dbraw/zinc/79/64/67/343796467.db2.gz GGPOTBVMDYJGSI-BDAKNGLRSA-N 1 0 212.293 -0.175 40 0 BBABRO C[C@H](O)[C@@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000381583154 343796938 /nfs/dbraw/zinc/79/69/38/343796938.db2.gz GGPOTBVMDYJGSI-DTWKUNHWSA-N 1 0 212.293 -0.175 40 0 BBABRO C[C@H](O)[C@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000381583155 343796658 /nfs/dbraw/zinc/79/66/58/343796658.db2.gz GGPOTBVMDYJGSI-IUCAKERBSA-N 1 0 212.293 -0.175 40 0 BBABRO C[C@@H](O)[C@@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000381583166 343796869 /nfs/dbraw/zinc/79/68/69/343796869.db2.gz GGPOTBVMDYJGSI-RKDXNWHRSA-N 1 0 212.293 -0.175 40 0 BBABRO [NH3+]CC(=O)N1CCC(O)(C(F)(F)F)CC1 ZINC000389714970 343810554 /nfs/dbraw/zinc/81/05/54/343810554.db2.gz NMENWQSXYFNAQR-UHFFFAOYSA-N 1 0 226.198 -0.139 40 0 BBABRO CC(=O)N1CCC(C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000390823299 519500312 /nfs/dbraw/zinc/50/03/12/519500312.db2.gz YKPKTWLRBBMDJO-LLVKDONJSA-N 1 0 239.319 -0.196 40 0 BBABRO CC(=O)N1CCC(C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000390823300 519500395 /nfs/dbraw/zinc/50/03/95/519500395.db2.gz YKPKTWLRBBMDJO-NSHDSACASA-N 1 0 239.319 -0.196 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)C[C@H]1O ZINC000395919527 343810528 /nfs/dbraw/zinc/81/05/28/343810528.db2.gz DGDVMBPGHHJINL-IVZWLZJFSA-N 1 0 228.292 -0.796 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@H]1O ZINC000395919528 343810309 /nfs/dbraw/zinc/81/03/09/343810309.db2.gz DGDVMBPGHHJINL-OPRDCNLKSA-N 1 0 228.292 -0.796 40 0 BBABRO CO[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)C[C@H]1O ZINC000395947579 359792412 /nfs/dbraw/zinc/79/24/12/359792412.db2.gz IQJRGOFLUVHITP-GHMZBOCLSA-N 1 0 242.319 -0.406 40 0 BBABRO CO[C@@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@H]1O ZINC000395955292 343811206 /nfs/dbraw/zinc/81/12/06/343811206.db2.gz HWJYIPKEZYCUBI-NXEZZACHSA-N 1 0 228.292 -0.796 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@H]1O ZINC000395961424 343810873 /nfs/dbraw/zinc/81/08/73/343810873.db2.gz KKVNMYDYBIPQJA-IVZWLZJFSA-N 1 0 228.292 -0.653 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@H]1O ZINC000395961425 343810843 /nfs/dbraw/zinc/81/08/43/343810843.db2.gz KKVNMYDYBIPQJA-OPRDCNLKSA-N 1 0 228.292 -0.653 40 0 BBABRO Cn1ncc(N2CCC([NH3+])CC2)cc1=O ZINC000396172028 385330681 /nfs/dbraw/zinc/33/06/81/385330681.db2.gz OEFMGMRPSLGZPO-UHFFFAOYSA-N 1 0 208.265 -0.292 40 0 BBABRO C[NH2+]C1CN(S(=O)(=O)c2cnn(C)c2)C1 ZINC000396992993 385329419 /nfs/dbraw/zinc/32/94/19/385329419.db2.gz FDFNWRFMQIZAAX-UHFFFAOYSA-N 1 0 230.293 -0.988 40 0 BBABRO C[NH2+]C1CN(S(=O)(=O)c2cn(C)c(C)n2)C1 ZINC000396994357 385330115 /nfs/dbraw/zinc/33/01/15/385330115.db2.gz FUXFLURRWQTZBC-UHFFFAOYSA-N 1 0 244.320 -0.679 40 0 BBABRO C[NH2+]C1CN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000397004387 359890494 /nfs/dbraw/zinc/89/04/94/359890494.db2.gz QVRSLLFUKMJTDK-UHFFFAOYSA-N 1 0 244.320 -0.381 40 0 BBABRO C[NH2+]C1CN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000397007994 385330523 /nfs/dbraw/zinc/33/05/23/385330523.db2.gz UJIHRMPVKYAZCO-UHFFFAOYSA-N 1 0 230.293 -0.988 40 0 BBABRO C[NH2+]C1CN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000397008973 385330827 /nfs/dbraw/zinc/33/08/27/385330827.db2.gz VALXTEXUPGFGGQ-UHFFFAOYSA-N 1 0 245.304 -0.116 40 0 BBABRO CN1C(=O)[C@@H](C2CC[NH2+]CC2)N(C)C1=O ZINC000400568129 530046307 /nfs/dbraw/zinc/04/63/07/530046307.db2.gz UQDWASSFFVDZKM-MRVPVSSYSA-N 1 0 211.265 -0.122 40 0 BBABRO CN1C(=O)[C@H](C2CC[NH2+]CC2)N(C)C1=O ZINC000400568131 387126489 /nfs/dbraw/zinc/12/64/89/387126489.db2.gz UQDWASSFFVDZKM-QMMMGPOBSA-N 1 0 211.265 -0.122 40 0 BBABRO CN1C(=O)C(=O)N(C2CC[NH2+]CC2)C1=O ZINC000400661056 343810931 /nfs/dbraw/zinc/81/09/31/343810931.db2.gz DDEDKQKHNAYEEK-UHFFFAOYSA-N 1 0 211.221 -0.841 40 0 BBABRO COCCNC(=O)C[NH+]1CCC(CCO)CC1 ZINC000400948868 343811691 /nfs/dbraw/zinc/81/16/91/343811691.db2.gz DQFOZTXMSMTDIU-UHFFFAOYSA-N 1 0 244.335 -0.157 40 0 BBABRO [NH3+]CCC(=O)N1CCC(CCO)CC1 ZINC000400954869 343811587 /nfs/dbraw/zinc/81/15/87/343811587.db2.gz JBOPRTGRTRZDIZ-UHFFFAOYSA-N 1 0 200.282 -0.044 40 0 BBABRO COC(=O)[C@H]1CCC(=O)N1CC1C[NH2+]C1 ZINC000400982803 343811721 /nfs/dbraw/zinc/81/17/21/343811721.db2.gz SUTGDFHDJWKYDB-MRVPVSSYSA-N 1 0 212.249 -0.630 40 0 BBABRO COC(=O)[C@@H]1CCC(=O)N1CC1C[NH2+]C1 ZINC000400982804 343811674 /nfs/dbraw/zinc/81/16/74/343811674.db2.gz SUTGDFHDJWKYDB-QMMMGPOBSA-N 1 0 212.249 -0.630 40 0 BBABRO O=C(C1C[NH2+]C1)N1CCC(CCO)CC1 ZINC000400993183 343811458 /nfs/dbraw/zinc/81/14/58/343811458.db2.gz AUPNXRQXKFSXRF-UHFFFAOYSA-N 1 0 212.293 -0.173 40 0 BBABRO C[NH2+]CC(=O)N1CCC(CCO)CC1 ZINC000400996952 343811501 /nfs/dbraw/zinc/81/15/01/343811501.db2.gz CHVNJOKSPHPIEB-UHFFFAOYSA-N 1 0 200.282 -0.173 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1CCC(CCO)CC1 ZINC000401056512 360425356 /nfs/dbraw/zinc/42/53/56/360425356.db2.gz HYBRQYLSFGYDRQ-MRVPVSSYSA-N 1 0 200.282 -0.045 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CCC(CCO)CC1 ZINC000401056514 343811660 /nfs/dbraw/zinc/81/16/60/343811660.db2.gz HYBRQYLSFGYDRQ-QMMMGPOBSA-N 1 0 200.282 -0.045 40 0 BBABRO O=C([C@@H]1CCC[NH2+]1)N1CCN(CCF)CC1 ZINC000402543841 343811723 /nfs/dbraw/zinc/81/17/23/343811723.db2.gz GXJPLLCEQUOAMX-JTQLQIEISA-N 1 0 229.299 -0.148 40 0 BBABRO O=C([C@H]1CCC[NH2+]1)N1CCN(CCF)CC1 ZINC000402543842 343811438 /nfs/dbraw/zinc/81/14/38/343811438.db2.gz GXJPLLCEQUOAMX-SNVBAGLBSA-N 1 0 229.299 -0.148 40 0 BBABRO O=C([C@H]1CC[NH2+]C1)N1CCN(CCF)CC1 ZINC000402572310 343811656 /nfs/dbraw/zinc/81/16/56/343811656.db2.gz NOFNDDPJCOFLDB-JTQLQIEISA-N 1 0 229.299 -0.290 40 0 BBABRO O=C([C@@H]1CC[NH2+]C1)N1CCN(CCF)CC1 ZINC000402572312 343811647 /nfs/dbraw/zinc/81/16/47/343811647.db2.gz NOFNDDPJCOFLDB-SNVBAGLBSA-N 1 0 229.299 -0.290 40 0 BBABRO O=C(C1C[NH2+]C1)N1CCN(CCF)CC1 ZINC000402719559 343811490 /nfs/dbraw/zinc/81/14/90/343811490.db2.gz KGEKBXUCQZWPEH-UHFFFAOYSA-N 1 0 215.272 -0.681 40 0 BBABRO C[NH2+]CC(=O)N1CCN(CCF)CC1 ZINC000402730532 343811548 /nfs/dbraw/zinc/81/15/48/343811548.db2.gz NQFMYTYGVDRMMK-UHFFFAOYSA-N 1 0 203.261 -0.681 40 0 BBABRO [NH3+]CCC(=O)N1CCN(CCF)CC1 ZINC000402745477 359491436 /nfs/dbraw/zinc/49/14/36/359491436.db2.gz SVAYGPZWNCYYCM-UHFFFAOYSA-N 1 0 203.261 -0.551 40 0 BBABRO CC1(CO)CCN(C(=O)CC[NH3+])CC1 ZINC000402849519 343811497 /nfs/dbraw/zinc/81/14/97/343811497.db2.gz JJBFNMDGDCGNLE-UHFFFAOYSA-N 1 0 200.282 -0.044 40 0 BBABRO C[NH2+]CC(=O)N1CCC(C)(CO)CC1 ZINC000403041993 343811576 /nfs/dbraw/zinc/81/15/76/343811576.db2.gz DWINFVSURNFSIA-UHFFFAOYSA-N 1 0 200.282 -0.173 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1CCC(C)(CO)CC1 ZINC000403045821 360473631 /nfs/dbraw/zinc/47/36/31/360473631.db2.gz HHOJEQPGPHOEIT-MRVPVSSYSA-N 1 0 200.282 -0.045 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CCC(C)(CO)CC1 ZINC000403045822 343811705 /nfs/dbraw/zinc/81/17/05/343811705.db2.gz HHOJEQPGPHOEIT-QMMMGPOBSA-N 1 0 200.282 -0.045 40 0 BBABRO CC1(CO)CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000403049666 343811508 /nfs/dbraw/zinc/81/15/08/343811508.db2.gz KDACJJVTMRMGGV-UHFFFAOYSA-N 1 0 212.293 -0.173 40 0 BBABRO Cc1nc(=N)c(C[n+]2ccn(C)c2)cn1C ZINC000408526111 136207445 /nfs/dbraw/zinc/20/74/45/136207445.db2.gz LCGIMRGBYCNLHP-UHFFFAOYSA-N 1 0 218.284 -0.118 40 0 BBABRO Cn1nc(N)cc1C(=O)NCC[NH+](C)C ZINC000408715589 411908850 /nfs/dbraw/zinc/90/88/50/411908850.db2.gz BXWGZOKBFVZGJS-UHFFFAOYSA-N 1 0 211.269 -0.706 40 0 BBABRO CCn1nc(N)cc1C(=O)NCCC[NH+](C)C ZINC000408715695 411903583 /nfs/dbraw/zinc/90/35/83/411903583.db2.gz CNURLGLWPXNCRU-UHFFFAOYSA-N 1 0 239.323 0.167 40 0 BBABRO Cn1nc(C(=O)NCC[NH+](C)C)cc1N ZINC000408716612 384705044 /nfs/dbraw/zinc/70/50/44/384705044.db2.gz OVJRYIKHYWBSIW-UHFFFAOYSA-N 1 0 211.269 -0.706 40 0 BBABRO CCn1nc(N)cc1C(=O)NCC[NH+](C)C ZINC000408716624 411904937 /nfs/dbraw/zinc/90/49/37/411904937.db2.gz OYVDJOKMNTZFIJ-UHFFFAOYSA-N 1 0 225.296 -0.223 40 0 BBABRO Cn1nc(N)cc1C(=O)NCCC[NH+](C)C ZINC000408717330 411909231 /nfs/dbraw/zinc/90/92/31/411909231.db2.gz YNKFCAAIZTXVAP-UHFFFAOYSA-N 1 0 225.296 -0.316 40 0 BBABRO Cn1nc(C(=O)NCCC[NH+](C)C)cc1N ZINC000408717353 384704805 /nfs/dbraw/zinc/70/48/05/384704805.db2.gz YTBFSKOXWMWVFC-UHFFFAOYSA-N 1 0 225.296 -0.316 40 0 BBABRO Nc1nnc(-c2cnn(CC[NH3+])c2)s1 ZINC000408717555 411976414 /nfs/dbraw/zinc/97/64/14/411976414.db2.gz HSAVLFUYQLIXPD-UHFFFAOYSA-N 1 0 210.266 -0.058 40 0 BBABRO COc1nonc1[N+](=O)N=c1[nH]onc1OC ZINC000409415778 384270116 /nfs/dbraw/zinc/27/01/16/384270116.db2.gz YENBTAFVTVGPOU-UHFFFAOYSA-N 1 0 243.159 -0.093 40 0 BBABRO CCc1nnc2c(=O)n(CC[NH3+])ccn12 ZINC000409421929 350474199 /nfs/dbraw/zinc/47/41/99/350474199.db2.gz ABVCADAWORLIHN-UHFFFAOYSA-N 1 0 207.237 -0.588 40 0 BBABRO O=c1nc2[nH]cccc-2c(=O)n1C1C[NH2+]C1 ZINC000409421939 343812005 /nfs/dbraw/zinc/81/20/05/343812005.db2.gz AEGJJGQZCNRFQR-UHFFFAOYSA-N 1 0 218.216 -0.359 40 0 BBABRO CCc1cc(N2CC([NH3+])C2)n2ncnc2n1 ZINC000409421989 343812346 /nfs/dbraw/zinc/81/23/46/343812346.db2.gz AXUVUOQFHOMZKT-UHFFFAOYSA-N 1 0 218.264 -0.166 40 0 BBABRO COCCC[N@@H+]1CC[C@@H](O)[C@H](C(=O)OC)C1 ZINC000409422162 343812914 /nfs/dbraw/zinc/81/29/14/343812914.db2.gz CGEVFJYLHUSOGF-NXEZZACHSA-N 1 0 231.292 -0.121 40 0 BBABRO COCCC[N@@H+]1CC[C@H](O)[C@@H](C(=O)OC)C1 ZINC000409422163 343812818 /nfs/dbraw/zinc/81/28/18/343812818.db2.gz CGEVFJYLHUSOGF-UWVGGRQHSA-N 1 0 231.292 -0.121 40 0 BBABRO COCCC[N@@H+]1CC[C@@H](O)[C@@H](C(=O)OC)C1 ZINC000409422164 343812827 /nfs/dbraw/zinc/81/28/27/343812827.db2.gz CGEVFJYLHUSOGF-VHSXEESVSA-N 1 0 231.292 -0.121 40 0 BBABRO COCCC[N@@H+]1CC[C@H](O)[C@H](C(=O)OC)C1 ZINC000409422166 343812650 /nfs/dbraw/zinc/81/26/50/343812650.db2.gz CGEVFJYLHUSOGF-ZJUUUORDSA-N 1 0 231.292 -0.121 40 0 BBABRO COc1cc(C(=O)N2CC([NH3+])C2)ccn1 ZINC000409422253 343812834 /nfs/dbraw/zinc/81/28/34/343812834.db2.gz CGNMWIMOYUYZTP-UHFFFAOYSA-N 1 0 207.233 -0.127 40 0 BBABRO COCCn1nc2c(cc1=O)C[C@H]([NH3+])CC2 ZINC000409422306 343813464 /nfs/dbraw/zinc/81/34/64/343813464.db2.gz FAPWVJMPSVLDAB-SECBINFHSA-N 1 0 223.276 -0.294 40 0 BBABRO COCCn1nc2c(cc1=O)C[C@@H]([NH3+])CC2 ZINC000409422309 343813237 /nfs/dbraw/zinc/81/32/37/343813237.db2.gz FAPWVJMPSVLDAB-VIFPVBQESA-N 1 0 223.276 -0.294 40 0 BBABRO Cn1cccc(C(=O)N2CCC[C@@H]([NH3+])C2)c1=O ZINC000409422427 350474338 /nfs/dbraw/zinc/47/43/38/350474338.db2.gz DZODVBCSIIBDBQ-SECBINFHSA-N 1 0 235.287 -0.051 40 0 BBABRO Cn1cccc(C(=O)N2CCC[C@H]([NH3+])C2)c1=O ZINC000409422428 343813304 /nfs/dbraw/zinc/81/33/04/343813304.db2.gz DZODVBCSIIBDBQ-VIFPVBQESA-N 1 0 235.287 -0.051 40 0 BBABRO [NH3+]CCN1C(=O)c2sccc2S1(=O)=O ZINC000409422480 343813985 /nfs/dbraw/zinc/81/39/85/343813985.db2.gz GQGNUWDTHPPMGZ-UHFFFAOYSA-N 1 0 232.286 -0.149 40 0 BBABRO O=c1c2ccccc2nnn1C1C[NH2+]C1 ZINC000409422502 343813926 /nfs/dbraw/zinc/81/39/26/343813926.db2.gz HJYIHJMYGVZCKT-UHFFFAOYSA-N 1 0 202.217 -0.064 40 0 BBABRO COCC[N@@H+]1CC[C@H](O)[C@H](C(=O)OC)C1 ZINC000409422701 541317500 /nfs/dbraw/zinc/31/75/00/541317500.db2.gz JUOPLGCKKBGLER-BDAKNGLRSA-N 1 0 217.265 -0.511 40 0 BBABRO COCC[N@@H+]1CC[C@@H](O)[C@@H](C(=O)OC)C1 ZINC000409422702 491119510 /nfs/dbraw/zinc/11/95/10/491119510.db2.gz JUOPLGCKKBGLER-DTWKUNHWSA-N 1 0 217.265 -0.511 40 0 BBABRO COCC[N@@H+]1CC[C@H](O)[C@@H](C(=O)OC)C1 ZINC000409422703 491119514 /nfs/dbraw/zinc/11/95/14/491119514.db2.gz JUOPLGCKKBGLER-IUCAKERBSA-N 1 0 217.265 -0.511 40 0 BBABRO COCC[N@@H+]1CC[C@@H](O)[C@H](C(=O)OC)C1 ZINC000409422704 491119517 /nfs/dbraw/zinc/11/95/17/491119517.db2.gz JUOPLGCKKBGLER-RKDXNWHRSA-N 1 0 217.265 -0.511 40 0 BBABRO O=C1COC[C@H]2C[NH2+]CC[C@H]2N1C1CC1 ZINC000409422737 409995933 /nfs/dbraw/zinc/99/59/33/409995933.db2.gz IAEDVMLBUTWMGL-PSASIEDQSA-N 1 0 210.277 -0.014 40 0 BBABRO O=C1COC[C@H]2C[NH2+]CC[C@@H]2N1C1CC1 ZINC000409422738 409995712 /nfs/dbraw/zinc/99/57/12/409995712.db2.gz IAEDVMLBUTWMGL-SCZZXKLOSA-N 1 0 210.277 -0.014 40 0 BBABRO O=C1COC[C@@H]2C[NH2+]CC[C@H]2N1C1CC1 ZINC000409422739 409995851 /nfs/dbraw/zinc/99/58/51/409995851.db2.gz IAEDVMLBUTWMGL-WCBMZHEXSA-N 1 0 210.277 -0.014 40 0 BBABRO O=C1COC[C@@H]2C[NH2+]CC[C@@H]2N1C1CC1 ZINC000409422740 409995704 /nfs/dbraw/zinc/99/57/04/409995704.db2.gz IAEDVMLBUTWMGL-WPRPVWTQSA-N 1 0 210.277 -0.014 40 0 BBABRO Cn1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1=O ZINC000409422756 398084899 /nfs/dbraw/zinc/08/48/99/398084899.db2.gz IKWWWXSWNHOZTG-MRVPVSSYSA-N 1 0 221.260 -0.442 40 0 BBABRO Cn1cccc(C(=O)N2CC[C@H]([NH3+])C2)c1=O ZINC000409422757 398084681 /nfs/dbraw/zinc/08/46/81/398084681.db2.gz IKWWWXSWNHOZTG-QMMMGPOBSA-N 1 0 221.260 -0.442 40 0 BBABRO Cn1cccc(C(=O)N2CCC([NH3+])CC2)c1=O ZINC000409422766 398084819 /nfs/dbraw/zinc/08/48/19/398084819.db2.gz IOFJMGVJBCFHFA-UHFFFAOYSA-N 1 0 235.287 -0.051 40 0 BBABRO Cc1cc(N2CC[NH2+]CC2)n2cnnc2n1 ZINC000409423013 343814263 /nfs/dbraw/zinc/81/42/63/343814263.db2.gz NPWGSCXSTUQGAV-UHFFFAOYSA-N 1 0 218.264 -0.158 40 0 BBABRO O=C1N(CC(F)F)CCOC12C[NH2+]C2 ZINC000409423161 350131858 /nfs/dbraw/zinc/13/18/58/350131858.db2.gz AIJNYKSXFJFEEF-UHFFFAOYSA-N 1 0 206.192 -0.548 40 0 BBABRO C[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](O)C2)C1 ZINC000409423221 350474925 /nfs/dbraw/zinc/47/49/25/350474925.db2.gz MQSFWTBZXBDZCU-NXEZZACHSA-N 1 0 212.293 -0.079 40 0 BBABRO C[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](O)C2)C1 ZINC000409423223 343814745 /nfs/dbraw/zinc/81/47/45/343814745.db2.gz MQSFWTBZXBDZCU-UWVGGRQHSA-N 1 0 212.293 -0.079 40 0 BBABRO C[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](O)C2)C1 ZINC000409423224 343814914 /nfs/dbraw/zinc/81/49/14/343814914.db2.gz MQSFWTBZXBDZCU-VHSXEESVSA-N 1 0 212.293 -0.079 40 0 BBABRO C[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](O)C2)C1 ZINC000409423225 343814781 /nfs/dbraw/zinc/81/47/81/343814781.db2.gz MQSFWTBZXBDZCU-ZJUUUORDSA-N 1 0 212.293 -0.079 40 0 BBABRO Cc1nn(CC(F)F)c(=O)n1C1C[NH2+]C1 ZINC000409423241 343814910 /nfs/dbraw/zinc/81/49/10/343814910.db2.gz AYMMGVDSCBGVEE-UHFFFAOYSA-N 1 0 218.207 -0.237 40 0 BBABRO Cn1cccc(-c2noc(CC[NH3+])n2)c1=O ZINC000409423256 343815184 /nfs/dbraw/zinc/81/51/84/343815184.db2.gz NCFXGYWCLVJKOC-UHFFFAOYSA-N 1 0 220.232 -0.064 40 0 BBABRO CC(=O)N1CCC(Cn2cc(C[NH3+])nn2)CC1 ZINC000409423338 343815288 /nfs/dbraw/zinc/81/52/88/343815288.db2.gz BJYDBLDYZSPQGS-UHFFFAOYSA-N 1 0 237.307 -0.005 40 0 BBABRO Cn1cccc(C(=O)N2CC([NH3+])C2)c1=O ZINC000409423423 350475068 /nfs/dbraw/zinc/47/50/68/350475068.db2.gz ODJAQWOTWZRCRR-UHFFFAOYSA-N 1 0 207.233 -0.832 40 0 BBABRO Cn1ccc(-c2noc(CC[NH3+])n2)cc1=O ZINC000409423464 398084630 /nfs/dbraw/zinc/08/46/30/398084630.db2.gz OKLJTCDLGGHRDY-UHFFFAOYSA-N 1 0 220.232 -0.064 40 0 BBABRO CCOC(=O)N1CC(Cn2cc(C[NH3+])nn2)C1 ZINC000409423491 398085163 /nfs/dbraw/zinc/08/51/63/398085163.db2.gz BYNCTAGODGKBIO-UHFFFAOYSA-N 1 0 239.279 -0.175 40 0 BBABRO O=C1[C@@H]2CC[NH2+]C[C@@H]2C(=O)N1CC1CC1 ZINC000409423599 343815776 /nfs/dbraw/zinc/81/57/76/343815776.db2.gz PJGWXGFOILGDIN-BDAKNGLRSA-N 1 0 208.261 -0.009 40 0 BBABRO O=C1[C@H]2CC[NH2+]C[C@H]2C(=O)N1CC1CC1 ZINC000409423601 343815813 /nfs/dbraw/zinc/81/58/13/343815813.db2.gz PJGWXGFOILGDIN-DTWKUNHWSA-N 1 0 208.261 -0.009 40 0 BBABRO O=C1[C@H]2C[NH2+]CC[C@@H]2C(=O)N1CC1CC1 ZINC000409423604 343815845 /nfs/dbraw/zinc/81/58/45/343815845.db2.gz PJGWXGFOILGDIN-IUCAKERBSA-N 1 0 208.261 -0.009 40 0 BBABRO O=C1[C@@H]2CC[NH2+]C[C@H]2C(=O)N1CC1CC1 ZINC000409423605 343815696 /nfs/dbraw/zinc/81/56/96/343815696.db2.gz PJGWXGFOILGDIN-RKDXNWHRSA-N 1 0 208.261 -0.009 40 0 BBABRO CCOCC[N@@H+]1CC[C@@H](O)[C@H](C(=O)OC)C1 ZINC000409423669 343815958 /nfs/dbraw/zinc/81/59/58/343815958.db2.gz UCEXGYGHTAVCFH-NXEZZACHSA-N 1 0 231.292 -0.121 40 0 BBABRO CCOCC[N@@H+]1CC[C@H](O)[C@@H](C(=O)OC)C1 ZINC000409423672 343815785 /nfs/dbraw/zinc/81/57/85/343815785.db2.gz UCEXGYGHTAVCFH-UWVGGRQHSA-N 1 0 231.292 -0.121 40 0 BBABRO CCOCC[N@@H+]1CC[C@@H](O)[C@@H](C(=O)OC)C1 ZINC000409423673 343815848 /nfs/dbraw/zinc/81/58/48/343815848.db2.gz UCEXGYGHTAVCFH-VHSXEESVSA-N 1 0 231.292 -0.121 40 0 BBABRO CCOCC[N@@H+]1CC[C@H](O)[C@H](C(=O)OC)C1 ZINC000409423674 343815935 /nfs/dbraw/zinc/81/59/35/343815935.db2.gz UCEXGYGHTAVCFH-ZJUUUORDSA-N 1 0 231.292 -0.121 40 0 BBABRO Cc1cc(N2CC[C@@H]([NH3+])C2)n2cnnc2n1 ZINC000409423726 343815946 /nfs/dbraw/zinc/81/59/46/343815946.db2.gz UKZWRTAMYUYASX-MRVPVSSYSA-N 1 0 218.264 -0.030 40 0 BBABRO Cc1cc(N2CC[C@H]([NH3+])C2)n2cnnc2n1 ZINC000409423731 343815828 /nfs/dbraw/zinc/81/58/28/343815828.db2.gz UKZWRTAMYUYASX-QMMMGPOBSA-N 1 0 218.264 -0.030 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H](C)O)C1 ZINC000409423750 343815779 /nfs/dbraw/zinc/81/57/79/343815779.db2.gz AIWHIZCWSKPXNU-CIUDSAMLSA-N 1 0 200.282 -0.047 40 0 BBABRO C[C@@H](O)[C@@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000409423757 343816347 /nfs/dbraw/zinc/81/63/47/343816347.db2.gz AIWHIZCWSKPXNU-DJLDLDEBSA-N 1 0 200.282 -0.047 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H](C)O)C1 ZINC000409423761 343816323 /nfs/dbraw/zinc/81/63/23/343816323.db2.gz AIWHIZCWSKPXNU-XHNCKOQMSA-N 1 0 200.282 -0.047 40 0 BBABRO C[C@@H](O)[C@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000409423764 343816388 /nfs/dbraw/zinc/81/63/88/343816388.db2.gz AIWHIZCWSKPXNU-YIZRAAEISA-N 1 0 200.282 -0.047 40 0 BBABRO CCC(=O)N1CC(n2cc(C[NH3+])nn2)C1 ZINC000409423772 343816308 /nfs/dbraw/zinc/81/63/08/343816308.db2.gz CYDNQOLQMONYOA-UHFFFAOYSA-N 1 0 209.253 -0.470 40 0 BBABRO [NH3+]CCN1CCC2(CC1)C[C@@H](O)CCO2 ZINC000409423807 343816422 /nfs/dbraw/zinc/81/64/22/343816422.db2.gz AOESGYBAXJFRKU-JTQLQIEISA-N 1 0 214.309 -0.049 40 0 BBABRO [NH3+]CCN1CCC2(CC1)C[C@H](O)CCO2 ZINC000409423809 343816242 /nfs/dbraw/zinc/81/62/42/343816242.db2.gz AOESGYBAXJFRKU-SNVBAGLBSA-N 1 0 214.309 -0.049 40 0 BBABRO Cn1nc([C@@H]2CCOC2)n(C2C[NH2+]C2)c1=O ZINC000409423820 343816411 /nfs/dbraw/zinc/81/64/11/343816411.db2.gz DJDDSSZOQZGKME-SSDOTTSWSA-N 1 0 224.264 -0.770 40 0 BBABRO Cn1nc([C@H]2CCOC2)n(C2C[NH2+]C2)c1=O ZINC000409423824 343816444 /nfs/dbraw/zinc/81/64/44/343816444.db2.gz DJDDSSZOQZGKME-ZETCQYMHSA-N 1 0 224.264 -0.770 40 0 BBABRO CC(=O)N1CCC(C(=O)N2CC([NH3+])C2)CC1 ZINC000409423853 350475058 /nfs/dbraw/zinc/47/50/58/350475058.db2.gz QLFUXGSVZVUSDY-UHFFFAOYSA-N 1 0 225.292 -0.586 40 0 BBABRO COc1ccc(C(=O)N2CC([NH3+])C2)cn1 ZINC000409423967 343816885 /nfs/dbraw/zinc/81/68/85/343816885.db2.gz SAXYXAHFBBEKPJ-UHFFFAOYSA-N 1 0 207.233 -0.127 40 0 BBABRO [NH3+]Cc1cn(C2CN(C(=O)C3CC3)C2)nn1 ZINC000409424047 343816783 /nfs/dbraw/zinc/81/67/83/343816783.db2.gz DXMLWXIJESSWRG-UHFFFAOYSA-N 1 0 221.264 -0.470 40 0 BBABRO [NH3+]CCn1ccn2nc3c(c2c1=O)CCC3 ZINC000409424068 343816883 /nfs/dbraw/zinc/81/68/83/343816883.db2.gz WZZIJUJWAVLLJF-UHFFFAOYSA-N 1 0 218.260 -0.057 40 0 BBABRO CC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000409424220 343817369 /nfs/dbraw/zinc/81/73/69/343817369.db2.gz GABWEEDGWBFHDV-JTQLQIEISA-N 1 0 223.280 -0.080 40 0 BBABRO CC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000409424224 343817395 /nfs/dbraw/zinc/81/73/95/343817395.db2.gz GABWEEDGWBFHDV-SNVBAGLBSA-N 1 0 223.280 -0.080 40 0 BBABRO [NH3+]CCn1ncn2nc(C3CC3)cc2c1=O ZINC000409424321 385331716 /nfs/dbraw/zinc/33/17/16/385331716.db2.gz YMQSLSBEKPCBGH-UHFFFAOYSA-N 1 0 219.248 -0.273 40 0 BBABRO [NH3+]Cc1cn([C@H]2CCN(C(=O)C3CC3)C2)nn1 ZINC000409424476 385331451 /nfs/dbraw/zinc/33/14/51/385331451.db2.gz GOOFJDQNDWRFDL-JTQLQIEISA-N 1 0 235.291 -0.080 40 0 BBABRO [NH3+]Cc1cn([C@@H]2CCN(C(=O)C3CC3)C2)nn1 ZINC000409424479 385332383 /nfs/dbraw/zinc/33/23/83/385332383.db2.gz GOOFJDQNDWRFDL-SNVBAGLBSA-N 1 0 235.291 -0.080 40 0 BBABRO O=c1n([C@@H]2CC[NH2+]C2)cnn1[C@H]1CCOC1 ZINC000409424528 385331603 /nfs/dbraw/zinc/33/16/03/385331603.db2.gz GSXPCKKCCVYWLI-BDAKNGLRSA-N 1 0 224.264 -0.459 40 0 BBABRO O=c1n([C@H]2CC[NH2+]C2)cnn1[C@@H]1CCOC1 ZINC000409424531 385332531 /nfs/dbraw/zinc/33/25/31/385332531.db2.gz GSXPCKKCCVYWLI-DTWKUNHWSA-N 1 0 224.264 -0.459 40 0 BBABRO O=c1n([C@H]2CC[NH2+]C2)cnn1[C@H]1CCOC1 ZINC000409424533 350475877 /nfs/dbraw/zinc/47/58/77/350475877.db2.gz GSXPCKKCCVYWLI-IUCAKERBSA-N 1 0 224.264 -0.459 40 0 BBABRO O=c1n([C@@H]2CC[NH2+]C2)cnn1[C@@H]1CCOC1 ZINC000409424535 385331788 /nfs/dbraw/zinc/33/17/88/385331788.db2.gz GSXPCKKCCVYWLI-RKDXNWHRSA-N 1 0 224.264 -0.459 40 0 BBABRO CCOC(=O)N1CC(n2cc(C[NH3+])nn2)C1 ZINC000409424547 385331482 /nfs/dbraw/zinc/33/14/82/385331482.db2.gz GVQFFLVMKPIQLQ-UHFFFAOYSA-N 1 0 225.252 -0.250 40 0 BBABRO Cn1nc([C@H]2CCCO2)n(C2C[NH2+]C2)c1=O ZINC000409424587 385332353 /nfs/dbraw/zinc/33/23/53/385332353.db2.gz HCVIIPQXEHAVQH-MRVPVSSYSA-N 1 0 224.264 -0.422 40 0 BBABRO Cn1nc([C@@H]2CCCO2)n(C2C[NH2+]C2)c1=O ZINC000409424588 385331968 /nfs/dbraw/zinc/33/19/68/385331968.db2.gz HCVIIPQXEHAVQH-QMMMGPOBSA-N 1 0 224.264 -0.422 40 0 BBABRO Cn1nc(C2CCOCC2)n(C2C[NH2+]C2)c1=O ZINC000409424613 385333859 /nfs/dbraw/zinc/33/38/59/385333859.db2.gz HJRDVAHWRBVGPS-UHFFFAOYSA-N 1 0 238.291 -0.380 40 0 BBABRO CC(=O)N1CCC(n2cc(C[NH3+])nn2)CC1 ZINC000409424646 385333295 /nfs/dbraw/zinc/33/32/95/385333295.db2.gz XFSAVNDJLWICKJ-UHFFFAOYSA-N 1 0 223.280 -0.080 40 0 BBABRO O=C(C1CC[NH2+]CC1)N1C[C@H]2C[C@@H](C1)C2O ZINC000409424647 385333961 /nfs/dbraw/zinc/33/39/61/385333961.db2.gz CMZGLOBXYIGEHC-ZACCUICWSA-N 1 0 224.304 -0.175 40 0 BBABRO C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1CO ZINC000409424708 385333919 /nfs/dbraw/zinc/33/39/19/385333919.db2.gz CUVVGLUBHRJFRW-BBBLOLIVSA-N 1 0 212.293 -0.175 40 0 BBABRO C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)C[C@H]1CO ZINC000409424709 385333654 /nfs/dbraw/zinc/33/36/54/385333654.db2.gz CUVVGLUBHRJFRW-KXUCPTDWSA-N 1 0 212.293 -0.175 40 0 BBABRO C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)C[C@@H]1CO ZINC000409424710 385333823 /nfs/dbraw/zinc/33/38/23/385333823.db2.gz CUVVGLUBHRJFRW-OPRDCNLKSA-N 1 0 212.293 -0.175 40 0 BBABRO C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@H]1CO ZINC000409424711 385333555 /nfs/dbraw/zinc/33/35/55/385333555.db2.gz CUVVGLUBHRJFRW-UTLUCORTSA-N 1 0 212.293 -0.175 40 0 BBABRO [NH3+]C1CN(C(=O)c2ccc3n[nH]nc3c2)C1 ZINC000409424739 385333664 /nfs/dbraw/zinc/33/36/64/385333664.db2.gz YCCMQVSFKSGKBW-UHFFFAOYSA-N 1 0 217.232 -0.259 40 0 BBABRO O=C([C@@H]1CCC[NH2+]1)N1C[C@H]2C[C@@H](C1)C2O ZINC000409424762 343817703 /nfs/dbraw/zinc/81/77/03/343817703.db2.gz CZSMQJCOLVUEGZ-GFMAATOTSA-N 1 0 210.277 -0.422 40 0 BBABRO O=C([C@H]1CCC[NH2+]1)N1C[C@H]2C[C@@H](C1)C2O ZINC000409424764 343817689 /nfs/dbraw/zinc/81/76/89/343817689.db2.gz CZSMQJCOLVUEGZ-WSSOQDAQSA-N 1 0 210.277 -0.422 40 0 BBABRO O=C1N=NC([C@H]2CCOC2)N1C1C[NH2+]C1 ZINC000409424777 350475636 /nfs/dbraw/zinc/47/56/36/350475636.db2.gz IANXSJGGWNRPFE-LURJTMIESA-N 1 0 210.237 -0.368 40 0 BBABRO O=C1N=NC([C@@H]2CCOC2)N1C1C[NH2+]C1 ZINC000409424780 343817709 /nfs/dbraw/zinc/81/77/09/343817709.db2.gz IANXSJGGWNRPFE-ZCFIWIBFSA-N 1 0 210.237 -0.368 40 0 BBABRO O=C1N(CC(F)F)CCO[C@@]12CC[NH2+]C2 ZINC000409424801 350476082 /nfs/dbraw/zinc/47/60/82/350476082.db2.gz IJKSDPYPOSJVBQ-SECBINFHSA-N 1 0 220.219 -0.158 40 0 BBABRO O=C1N(CC(F)F)CCO[C@]12CC[NH2+]C2 ZINC000409424803 343817775 /nfs/dbraw/zinc/81/77/75/343817775.db2.gz IJKSDPYPOSJVBQ-VIFPVBQESA-N 1 0 220.219 -0.158 40 0 BBABRO CCc1nn([C@@H]2CCOC2)c(=O)n1C1C[NH2+]C1 ZINC000409425062 343818245 /nfs/dbraw/zinc/81/82/45/343818245.db2.gz JHTWNADDPWETQO-MRVPVSSYSA-N 1 0 238.291 -0.287 40 0 BBABRO CCc1nn([C@H]2CCOC2)c(=O)n1C1C[NH2+]C1 ZINC000409425065 343818176 /nfs/dbraw/zinc/81/81/76/343818176.db2.gz JHTWNADDPWETQO-QMMMGPOBSA-N 1 0 238.291 -0.287 40 0 BBABRO O=c1n(CC(F)F)ncn1[C@H]1CC[NH2+]C1 ZINC000409425105 343818235 /nfs/dbraw/zinc/81/82/35/343818235.db2.gz JZDPVUJCVIPNTE-LURJTMIESA-N 1 0 218.207 -0.156 40 0 BBABRO O=c1n(CC(F)F)ncn1[C@@H]1CC[NH2+]C1 ZINC000409425106 343818330 /nfs/dbraw/zinc/81/83/30/343818330.db2.gz JZDPVUJCVIPNTE-ZCFIWIBFSA-N 1 0 218.207 -0.156 40 0 BBABRO O=C([C@H]1CCC[NH2+]C1)N1C[C@H]2C[C@@H](C1)C2O ZINC000409425127 343818236 /nfs/dbraw/zinc/81/82/36/343818236.db2.gz FBQMOCSSJOOCAR-GKDVJIACSA-N 1 0 224.304 -0.175 40 0 BBABRO O=C([C@@H]1CCC[NH2+]C1)N1C[C@H]2C[C@@H](C1)C2O ZINC000409425128 343818261 /nfs/dbraw/zinc/81/82/61/343818261.db2.gz FBQMOCSSJOOCAR-NFLHVTIKSA-N 1 0 224.304 -0.175 40 0 BBABRO CC[C@@H]1CN(C(=O)C[NH2+]C)CC[C@@H]1O ZINC000409425199 343818791 /nfs/dbraw/zinc/81/87/91/343818791.db2.gz AAVVFXDTAXYLBY-BDAKNGLRSA-N 1 0 200.282 -0.175 40 0 BBABRO CC[C@H]1CN(C(=O)C[NH2+]C)CC[C@H]1O ZINC000409425200 343818737 /nfs/dbraw/zinc/81/87/37/343818737.db2.gz AAVVFXDTAXYLBY-DTWKUNHWSA-N 1 0 200.282 -0.175 40 0 BBABRO CC[C@H]1CN(C(=O)C[NH2+]C)CC[C@@H]1O ZINC000409425202 343818680 /nfs/dbraw/zinc/81/86/80/343818680.db2.gz AAVVFXDTAXYLBY-IUCAKERBSA-N 1 0 200.282 -0.175 40 0 BBABRO CC[C@@H]1CN(C(=O)C[NH2+]C)CC[C@H]1O ZINC000409425204 343818811 /nfs/dbraw/zinc/81/88/11/343818811.db2.gz AAVVFXDTAXYLBY-RKDXNWHRSA-N 1 0 200.282 -0.175 40 0 BBABRO CO[C@@H]1CN(C(=O)CC[NH3+])C[C@H]1n1cccn1 ZINC000409425303 343818821 /nfs/dbraw/zinc/81/88/21/343818821.db2.gz AGNICRPCNXMQPH-NXEZZACHSA-N 1 0 238.291 -0.370 40 0 BBABRO OCc1cn(C2C[NH+](C3CCOCC3)C2)nn1 ZINC000409425308 343818817 /nfs/dbraw/zinc/81/88/17/343818817.db2.gz KNVIUBBPSTVXIN-UHFFFAOYSA-N 1 0 238.291 -0.194 40 0 BBABRO CO[C@H]1CN(C(=O)CC[NH3+])C[C@@H]1n1cccn1 ZINC000409425309 343818830 /nfs/dbraw/zinc/81/88/30/343818830.db2.gz AGNICRPCNXMQPH-UWVGGRQHSA-N 1 0 238.291 -0.370 40 0 BBABRO CO[C@@H]1CN(C(=O)CC[NH3+])C[C@@H]1n1cccn1 ZINC000409425310 343818734 /nfs/dbraw/zinc/81/87/34/343818734.db2.gz AGNICRPCNXMQPH-VHSXEESVSA-N 1 0 238.291 -0.370 40 0 BBABRO CO[C@H]1CN(C(=O)CC[NH3+])C[C@H]1n1cccn1 ZINC000409425311 343818770 /nfs/dbraw/zinc/81/87/70/343818770.db2.gz AGNICRPCNXMQPH-ZJUUUORDSA-N 1 0 238.291 -0.370 40 0 BBABRO CC(=O)N1CC(Cn2cc(C[NH3+])nn2)C1 ZINC000409425351 343819221 /nfs/dbraw/zinc/81/92/21/343819221.db2.gz LARNYCKIIUCWNE-UHFFFAOYSA-N 1 0 209.253 -0.785 40 0 BBABRO O=c1n(CC2CCC2)ncn1C1C[NH2+]C1 ZINC000409425365 343819299 /nfs/dbraw/zinc/81/92/99/343819299.db2.gz LEMPCGMWXXPYAF-UHFFFAOYSA-N 1 0 208.265 -0.011 40 0 BBABRO CC(=O)N1CCC[C@H](Cn2cc(C[NH3+])nn2)C1 ZINC000409425389 343819349 /nfs/dbraw/zinc/81/93/49/343819349.db2.gz LPEROCFFNYMBKS-JTQLQIEISA-N 1 0 237.307 -0.005 40 0 BBABRO CC(=O)N1CCC[C@@H](Cn2cc(C[NH3+])nn2)C1 ZINC000409425391 343819205 /nfs/dbraw/zinc/81/92/05/343819205.db2.gz LPEROCFFNYMBKS-SNVBAGLBSA-N 1 0 237.307 -0.005 40 0 BBABRO C[C@@H]1Cn2nc(CO)cc2CN1CCC[NH3+] ZINC000409425515 343819929 /nfs/dbraw/zinc/81/99/29/343819929.db2.gz ALLHFHDYXLTTCB-SECBINFHSA-N 1 0 224.308 -0.072 40 0 BBABRO C[C@H]1Cn2nc(CO)cc2CN1CCC[NH3+] ZINC000409425516 343819693 /nfs/dbraw/zinc/81/96/93/343819693.db2.gz ALLHFHDYXLTTCB-VIFPVBQESA-N 1 0 224.308 -0.072 40 0 BBABRO C[NH2+]CC(=O)N1C[C@H](CO)C(C)(C)C1 ZINC000409425550 343819795 /nfs/dbraw/zinc/81/97/95/343819795.db2.gz ARGPYYKXHJHUCE-MRVPVSSYSA-N 1 0 200.282 -0.317 40 0 BBABRO C[NH2+]CC(=O)N1C[C@@H](CO)C(C)(C)C1 ZINC000409425551 343819939 /nfs/dbraw/zinc/81/99/39/343819939.db2.gz ARGPYYKXHJHUCE-QMMMGPOBSA-N 1 0 200.282 -0.317 40 0 BBABRO [NH3+]CCC(=O)N1C[C@H](CO)C2(CCC2)C1 ZINC000409425573 343819814 /nfs/dbraw/zinc/81/98/14/343819814.db2.gz AUKLRPSIDOMKHY-SECBINFHSA-N 1 0 212.293 -0.044 40 0 BBABRO [NH3+]CCC(=O)N1C[C@@H](CO)C2(CCC2)C1 ZINC000409425575 343819964 /nfs/dbraw/zinc/81/99/64/343819964.db2.gz AUKLRPSIDOMKHY-VIFPVBQESA-N 1 0 212.293 -0.044 40 0 BBABRO O=c1n(C2C[NH2+]C2)cnn1[C@@H]1CCOC1 ZINC000409425628 343819682 /nfs/dbraw/zinc/81/96/82/343819682.db2.gz MJOSMTNYHABKLQ-SSDOTTSWSA-N 1 0 210.237 -0.850 40 0 BBABRO O=c1n(C2C[NH2+]C2)cnn1[C@H]1CCOC1 ZINC000409425629 343819764 /nfs/dbraw/zinc/81/97/64/343819764.db2.gz MJOSMTNYHABKLQ-ZETCQYMHSA-N 1 0 210.237 -0.850 40 0 BBABRO Cn1nc(C2CCC2)n(C2C[NH2+]C2)c1=O ZINC000409425740 343820381 /nfs/dbraw/zinc/82/03/81/343820381.db2.gz MQKJPLQVPFPTIA-UHFFFAOYSA-N 1 0 208.265 -0.006 40 0 BBABRO O=c1n([C@H]2CC[NH2+]C2)cnn1C1CCOCC1 ZINC000409425741 343820482 /nfs/dbraw/zinc/82/04/82/343820482.db2.gz MQONVDPTKIDDFK-JTQLQIEISA-N 1 0 238.291 -0.069 40 0 BBABRO O=c1n([C@@H]2CC[NH2+]C2)cnn1C1CCOCC1 ZINC000409425742 343820535 /nfs/dbraw/zinc/82/05/35/343820535.db2.gz MQONVDPTKIDDFK-SNVBAGLBSA-N 1 0 238.291 -0.069 40 0 BBABRO COC1CN(c2ccnc(NCC[NH3+])n2)C1 ZINC000409425743 343820371 /nfs/dbraw/zinc/82/03/71/343820371.db2.gz BFCIBJKNKPPMFT-UHFFFAOYSA-N 1 0 223.280 -0.318 40 0 BBABRO CCn1nc([C@@H]2CCOC2)n(C2C[NH2+]C2)c1=O ZINC000409425852 343820985 /nfs/dbraw/zinc/82/09/85/343820985.db2.gz NLBTUOURZXUMMV-MRVPVSSYSA-N 1 0 238.291 -0.287 40 0 BBABRO CCn1nc([C@H]2CCOC2)n(C2C[NH2+]C2)c1=O ZINC000409425853 343820780 /nfs/dbraw/zinc/82/07/80/343820780.db2.gz NLBTUOURZXUMMV-QMMMGPOBSA-N 1 0 238.291 -0.287 40 0 BBABRO CCC(=O)N1CC(Cn2cc(C[NH3+])nn2)C1 ZINC000409425878 343820708 /nfs/dbraw/zinc/82/07/08/343820708.db2.gz NOQSDVBUUGUBCZ-UHFFFAOYSA-N 1 0 223.280 -0.395 40 0 BBABRO O=c1n(CC(F)F)ncn1C1C[NH2+]C1 ZINC000409425909 343820845 /nfs/dbraw/zinc/82/08/45/343820845.db2.gz NZASNFYXSVUFCR-UHFFFAOYSA-N 1 0 204.180 -0.546 40 0 BBABRO CC1(C)CN(C(=O)C2C[NH2+]C2)C[C@@H]1CO ZINC000409425917 343820967 /nfs/dbraw/zinc/82/09/67/343820967.db2.gz BEZAAVWHCRUJSX-SECBINFHSA-N 1 0 212.293 -0.317 40 0 BBABRO CC1(C)CN(C(=O)C2C[NH2+]C2)C[C@H]1CO ZINC000409425918 343820971 /nfs/dbraw/zinc/82/09/71/343820971.db2.gz BEZAAVWHCRUJSX-VIFPVBQESA-N 1 0 212.293 -0.317 40 0 BBABRO NC(=[NH2+])N1CCC[C@@]2(C[C@H](O)CCO2)C1 ZINC000409425967 343820754 /nfs/dbraw/zinc/82/07/54/343820754.db2.gz BOZRRAJDLGIMHK-PSASIEDQSA-N 1 0 213.281 -0.114 40 0 BBABRO NC(=[NH2+])N1CCC[C@]2(C[C@H](O)CCO2)C1 ZINC000409425968 343820968 /nfs/dbraw/zinc/82/09/68/343820968.db2.gz BOZRRAJDLGIMHK-SCZZXKLOSA-N 1 0 213.281 -0.114 40 0 BBABRO NC(=[NH2+])N1CCC[C@@]2(C[C@@H](O)CCO2)C1 ZINC000409425969 343820702 /nfs/dbraw/zinc/82/07/02/343820702.db2.gz BOZRRAJDLGIMHK-WCBMZHEXSA-N 1 0 213.281 -0.114 40 0 BBABRO NC(=[NH2+])N1CCC[C@]2(C[C@@H](O)CCO2)C1 ZINC000409425970 343820995 /nfs/dbraw/zinc/82/09/95/343820995.db2.gz BOZRRAJDLGIMHK-WPRPVWTQSA-N 1 0 213.281 -0.114 40 0 BBABRO COCc1cc2n(n1)C[C@@H](C)N(C(=O)C[NH3+])C2 ZINC000409426036 343821517 /nfs/dbraw/zinc/82/15/17/343821517.db2.gz BUTYRBKQOYEEDO-MRVPVSSYSA-N 1 0 238.291 -0.281 40 0 BBABRO COCc1cc2n(n1)C[C@H](C)N(C(=O)C[NH3+])C2 ZINC000409426044 343821304 /nfs/dbraw/zinc/82/13/04/343821304.db2.gz BUTYRBKQOYEEDO-QMMMGPOBSA-N 1 0 238.291 -0.281 40 0 BBABRO O=C1NC(=O)[C@@H]2CN(C3CC[NH2+]CC3)CC[C@@H]12 ZINC000409426083 343821549 /nfs/dbraw/zinc/82/15/49/343821549.db2.gz CTPGVJUXXBQTQK-NXEZZACHSA-N 1 0 237.303 -0.667 40 0 BBABRO O=C1NC(=O)[C@H]2CCN(C3CC[NH2+]CC3)C[C@H]12 ZINC000409426084 343821320 /nfs/dbraw/zinc/82/13/20/343821320.db2.gz CTPGVJUXXBQTQK-UWVGGRQHSA-N 1 0 237.303 -0.667 40 0 BBABRO O=C1NC(=O)[C@@H]2CN(C3CC[NH2+]CC3)CC[C@H]12 ZINC000409426085 343821425 /nfs/dbraw/zinc/82/14/25/343821425.db2.gz CTPGVJUXXBQTQK-VHSXEESVSA-N 1 0 237.303 -0.667 40 0 BBABRO O=C1NC(=O)[C@H]2CN(C3CC[NH2+]CC3)CC[C@@H]12 ZINC000409426086 343821452 /nfs/dbraw/zinc/82/14/52/343821452.db2.gz CTPGVJUXXBQTQK-ZJUUUORDSA-N 1 0 237.303 -0.667 40 0 BBABRO O=C([C@@H]1CC[NH2+]C1)N1C[C@@H]2COC[C@@H]2C1 ZINC000409426119 343821485 /nfs/dbraw/zinc/82/14/85/343821485.db2.gz HNDQFVIAPJGZAG-BBBLOLIVSA-N 1 0 210.277 -0.299 40 0 BBABRO O=C([C@H]1CC[NH2+]C1)N1C[C@@H]2COC[C@@H]2C1 ZINC000409426120 343821467 /nfs/dbraw/zinc/82/14/67/343821467.db2.gz HNDQFVIAPJGZAG-LPEHRKFASA-N 1 0 210.277 -0.299 40 0 BBABRO O=C([C@@H]1CC[NH2+]C1)N1C[C@@H]2COC[C@H]2C1 ZINC000409426121 343821331 /nfs/dbraw/zinc/82/13/31/343821331.db2.gz HNDQFVIAPJGZAG-OPRDCNLKSA-N 1 0 210.277 -0.299 40 0 BBABRO O=C([C@@H]1CC[NH2+]C1)N1C[C@H]2COC[C@@H]2C1 ZINC000409426122 343821371 /nfs/dbraw/zinc/82/13/71/343821371.db2.gz HNDQFVIAPJGZAG-UTLUCORTSA-N 1 0 210.277 -0.299 40 0 BBABRO O=c1n(C2C[NH2+]C2)cnn1C1CCOCC1 ZINC000409426204 343821963 /nfs/dbraw/zinc/82/19/63/343821963.db2.gz OUBKLUSFFJJXBR-UHFFFAOYSA-N 1 0 224.264 -0.459 40 0 BBABRO CCC(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000409426304 343821727 /nfs/dbraw/zinc/82/17/27/343821727.db2.gz PQJRYQAMRJAXDP-SECBINFHSA-N 1 0 223.280 -0.080 40 0 BBABRO CCC(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000409426305 343821860 /nfs/dbraw/zinc/82/18/60/343821860.db2.gz PQJRYQAMRJAXDP-VIFPVBQESA-N 1 0 223.280 -0.080 40 0 BBABRO C[NH2+]CC(=O)N1C[C@@H](OC)[C@H](n2cccn2)C1 ZINC000409426316 343822638 /nfs/dbraw/zinc/82/26/38/343822638.db2.gz BYZVETLTQSXHAS-NXEZZACHSA-N 1 0 238.291 -0.499 40 0 BBABRO C[NH2+]CC(=O)N1C[C@H](OC)[C@@H](n2cccn2)C1 ZINC000409426321 343822646 /nfs/dbraw/zinc/82/26/46/343822646.db2.gz BYZVETLTQSXHAS-UWVGGRQHSA-N 1 0 238.291 -0.499 40 0 BBABRO C[NH2+]CC(=O)N1C[C@@H](OC)[C@@H](n2cccn2)C1 ZINC000409426322 343822655 /nfs/dbraw/zinc/82/26/55/343822655.db2.gz BYZVETLTQSXHAS-VHSXEESVSA-N 1 0 238.291 -0.499 40 0 BBABRO C[NH2+]CC(=O)N1C[C@@H](n2cccn2)[C@@H](OC)C1 ZINC000409426323 343822578 /nfs/dbraw/zinc/82/25/78/343822578.db2.gz BYZVETLTQSXHAS-ZJUUUORDSA-N 1 0 238.291 -0.499 40 0 BBABRO [NH3+]CCC(=O)N1C[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000409426373 343822325 /nfs/dbraw/zinc/82/23/25/343822325.db2.gz CDWQATKEXNEMII-BQBZGAKWSA-N 1 0 240.225 -0.036 40 0 BBABRO [NH3+]CCC(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000409426374 343822464 /nfs/dbraw/zinc/82/24/64/343822464.db2.gz CDWQATKEXNEMII-NKWVEPMBSA-N 1 0 240.225 -0.036 40 0 BBABRO [NH3+]CCC(=O)N1C[C@H](CO)[C@H](C(F)(F)F)C1 ZINC000409426375 343822642 /nfs/dbraw/zinc/82/26/42/343822642.db2.gz CDWQATKEXNEMII-RNFRBKRXSA-N 1 0 240.225 -0.036 40 0 BBABRO [NH3+]CCC(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC000409426376 343822327 /nfs/dbraw/zinc/82/23/27/343822327.db2.gz CDWQATKEXNEMII-RQJHMYQMSA-N 1 0 240.225 -0.036 40 0 BBABRO C[C@H]([NH3+])C(=O)N1C[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000409426419 343797929 /nfs/dbraw/zinc/79/79/29/343797929.db2.gz CHMVVSCZNHWDQP-ACZMJKKPSA-N 1 0 240.225 -0.037 40 0 BBABRO C[C@H]([NH3+])C(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000409426420 343797932 /nfs/dbraw/zinc/79/79/32/343797932.db2.gz CHMVVSCZNHWDQP-LYFYHCNISA-N 1 0 240.225 -0.037 40 0 BBABRO C[C@H]([NH3+])C(=O)N1C[C@H](CO)[C@H](C(F)(F)F)C1 ZINC000409426421 343798053 /nfs/dbraw/zinc/79/80/53/343798053.db2.gz CHMVVSCZNHWDQP-RRKCRQDMSA-N 1 0 240.225 -0.037 40 0 BBABRO C[C@H]([NH3+])C(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC000409426422 343797971 /nfs/dbraw/zinc/79/79/71/343797971.db2.gz CHMVVSCZNHWDQP-XVMARJQXSA-N 1 0 240.225 -0.037 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CCC[C@@]2(C[C@H](O)CCO2)C1 ZINC000409426424 343798077 /nfs/dbraw/zinc/79/80/77/343798077.db2.gz CJBNXXRMFLJKEK-HOSYDEDBSA-N 1 0 242.319 -0.134 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CCC[C@@]2(C[C@@H](O)CCO2)C1 ZINC000409426426 343798034 /nfs/dbraw/zinc/79/80/34/343798034.db2.gz CJBNXXRMFLJKEK-JBLDHEPKSA-N 1 0 242.319 -0.134 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CCC[C@]2(C[C@@H](O)CCO2)C1 ZINC000409426427 343797908 /nfs/dbraw/zinc/79/79/08/343797908.db2.gz CJBNXXRMFLJKEK-NHCYSSNCSA-N 1 0 242.319 -0.134 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CCC[C@]2(C[C@H](O)CCO2)C1 ZINC000409426428 343797772 /nfs/dbraw/zinc/79/77/72/343797772.db2.gz CJBNXXRMFLJKEK-UMNHJUIQSA-N 1 0 242.319 -0.134 40 0 BBABRO O=C([C@@H]1CCC[NH2+]1)N1C[C@@H]2COC[C@@H]2C1 ZINC000409426445 343798012 /nfs/dbraw/zinc/79/80/12/343798012.db2.gz ICNBMMOXFNDCSE-AEJSXWLSSA-N 1 0 210.277 -0.157 40 0 BBABRO O=C([C@@H]1CCC[NH2+]1)N1C[C@@H]2COC[C@H]2C1 ZINC000409426446 350476606 /nfs/dbraw/zinc/47/66/06/350476606.db2.gz ICNBMMOXFNDCSE-BBBLOLIVSA-N 1 0 210.277 -0.157 40 0 BBABRO O=C([C@@H]1CCC[NH2+]1)N1C[C@H]2COC[C@@H]2C1 ZINC000409426447 343797755 /nfs/dbraw/zinc/79/77/55/343797755.db2.gz ICNBMMOXFNDCSE-GUBZILKMSA-N 1 0 210.277 -0.157 40 0 BBABRO O=C([C@H]1CCC[NH2+]1)N1C[C@@H]2COC[C@@H]2C1 ZINC000409426448 343798086 /nfs/dbraw/zinc/79/80/86/343798086.db2.gz ICNBMMOXFNDCSE-KXUCPTDWSA-N 1 0 210.277 -0.157 40 0 BBABRO C[C@@H](O)[C@H]1CCCCN1C(=O)C1C[NH2+]C1 ZINC000409426455 343798081 /nfs/dbraw/zinc/79/80/81/343798081.db2.gz IDIYEJFTJZZKAE-PSASIEDQSA-N 1 0 212.293 -0.032 40 0 BBABRO C[C@@H](O)[C@@H]1CCCCN1C(=O)C1C[NH2+]C1 ZINC000409426456 343798114 /nfs/dbraw/zinc/79/81/14/343798114.db2.gz IDIYEJFTJZZKAE-SCZZXKLOSA-N 1 0 212.293 -0.032 40 0 BBABRO C[C@H](O)[C@H]1CCCCN1C(=O)C1C[NH2+]C1 ZINC000409426457 343797991 /nfs/dbraw/zinc/79/79/91/343797991.db2.gz IDIYEJFTJZZKAE-WCBMZHEXSA-N 1 0 212.293 -0.032 40 0 BBABRO C[C@H](O)[C@@H]1CCCCN1C(=O)C1C[NH2+]C1 ZINC000409426458 343798099 /nfs/dbraw/zinc/79/80/99/343798099.db2.gz IDIYEJFTJZZKAE-WPRPVWTQSA-N 1 0 212.293 -0.032 40 0 BBABRO COCCn1nc(C)n(C2C[NH2+]C2)c1=O ZINC000409426526 343798105 /nfs/dbraw/zinc/79/81/05/343798105.db2.gz QTPPVIUERNRVLZ-UHFFFAOYSA-N 1 0 212.253 -0.856 40 0 BBABRO O=C1N=NC([C@H]2CCCO2)N1C1C[NH2+]C1 ZINC000409426539 343798137 /nfs/dbraw/zinc/79/81/37/343798137.db2.gz QUTPHCGUWFGRTO-SSDOTTSWSA-N 1 0 210.237 -0.021 40 0 BBABRO O=C1N=NC([C@@H]2CCCO2)N1C1C[NH2+]C1 ZINC000409426541 343798340 /nfs/dbraw/zinc/79/83/40/343798340.db2.gz QUTPHCGUWFGRTO-ZETCQYMHSA-N 1 0 210.237 -0.021 40 0 BBABRO O=c1n(CC2CC2)ncn1[C@@H]1CC[NH2+]C1 ZINC000409426651 343798360 /nfs/dbraw/zinc/79/83/60/343798360.db2.gz ROUUIXWGFZAAGA-SECBINFHSA-N 1 0 208.265 -0.011 40 0 BBABRO O=c1n(CC2CC2)ncn1[C@H]1CC[NH2+]C1 ZINC000409426653 343798549 /nfs/dbraw/zinc/79/85/49/343798549.db2.gz ROUUIXWGFZAAGA-VIFPVBQESA-N 1 0 208.265 -0.011 40 0 BBABRO C[NH2+]CC(=O)N1CCC[C@H]([C@@H](C)O)C1 ZINC000409426714 343798601 /nfs/dbraw/zinc/79/86/01/343798601.db2.gz IOHLZNLBCVCDTM-BDAKNGLRSA-N 1 0 200.282 -0.175 40 0 BBABRO C[NH2+]CC(=O)N1CCC[C@@H]([C@H](C)O)C1 ZINC000409426715 343798366 /nfs/dbraw/zinc/79/83/66/343798366.db2.gz IOHLZNLBCVCDTM-DTWKUNHWSA-N 1 0 200.282 -0.175 40 0 BBABRO C[NH2+]CC(=O)N1CCC[C@H]([C@H](C)O)C1 ZINC000409426716 343798530 /nfs/dbraw/zinc/79/85/30/343798530.db2.gz IOHLZNLBCVCDTM-IUCAKERBSA-N 1 0 200.282 -0.175 40 0 BBABRO C[NH2+]CC(=O)N1CCC[C@@H]([C@@H](C)O)C1 ZINC000409426718 343798556 /nfs/dbraw/zinc/79/85/56/343798556.db2.gz IOHLZNLBCVCDTM-RKDXNWHRSA-N 1 0 200.282 -0.175 40 0 BBABRO O=c1n(CC(F)(F)F)ncn1C1C[NH2+]C1 ZINC000409426734 343798918 /nfs/dbraw/zinc/79/89/18/343798918.db2.gz RVTGZWOLAOIALH-UHFFFAOYSA-N 1 0 222.170 -0.249 40 0 BBABRO [NH3+]CCNc1nccc(NC[C@H]2CCCO2)n1 ZINC000409426736 412299655 /nfs/dbraw/zinc/29/96/55/412299655.db2.gz GBRCOADCLARIAB-SECBINFHSA-N 1 0 237.307 0.438 40 0 BBABRO [NH3+]CCNc1nccc(NC[C@@H]2CCCO2)n1 ZINC000409426740 412299377 /nfs/dbraw/zinc/29/93/77/412299377.db2.gz GBRCOADCLARIAB-VIFPVBQESA-N 1 0 237.307 0.438 40 0 BBABRO COCCN(C(=O)C[NH3+])C1CCOCC1 ZINC000409426769 343798909 /nfs/dbraw/zinc/79/89/09/343798909.db2.gz CXHFNLWNTRDIHZ-UHFFFAOYSA-N 1 0 216.281 -0.401 40 0 BBABRO CCC(=O)N1CC[C@@H](Cn2cc(C[NH3+])nn2)C1 ZINC000409426813 343799010 /nfs/dbraw/zinc/79/90/10/343799010.db2.gz SEANOGVDPOGMNX-SECBINFHSA-N 1 0 237.307 -0.005 40 0 BBABRO CCC(=O)N1CC[C@H](Cn2cc(C[NH3+])nn2)C1 ZINC000409426815 343798970 /nfs/dbraw/zinc/79/89/70/343798970.db2.gz SEANOGVDPOGMNX-VIFPVBQESA-N 1 0 237.307 -0.005 40 0 BBABRO CCO[C@@H]1CN(C(=O)C[NH2+]C)C[C@@H]1OCC ZINC000409426930 343799633 /nfs/dbraw/zinc/79/96/33/343799633.db2.gz DEVWWRJLFNJINK-AOOOYVTPSA-N 1 0 230.308 -0.142 40 0 BBABRO CCO[C@@H]1CN(C(=O)C[NH2+]C)C[C@H]1OCC ZINC000409426931 343799693 /nfs/dbraw/zinc/79/96/93/343799693.db2.gz DEVWWRJLFNJINK-NXEZZACHSA-N 1 0 230.308 -0.142 40 0 BBABRO CCO[C@H]1CN(C(=O)C[NH2+]C)C[C@@H]1OCC ZINC000409426932 343799558 /nfs/dbraw/zinc/79/95/58/343799558.db2.gz DEVWWRJLFNJINK-UWVGGRQHSA-N 1 0 230.308 -0.142 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000409426945 343799640 /nfs/dbraw/zinc/79/96/40/343799640.db2.gz DGDVMBPGHHJINL-KXUCPTDWSA-N 1 0 228.292 -0.796 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000409426946 343799630 /nfs/dbraw/zinc/79/96/30/343799630.db2.gz DGDVMBPGHHJINL-LPEHRKFASA-N 1 0 228.292 -0.796 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CC(O)(C(F)(F)F)C1 ZINC000409426950 343799686 /nfs/dbraw/zinc/79/96/86/343799686.db2.gz DHQATBFKURYNFM-BYPYZUCNSA-N 1 0 212.171 -0.531 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1CC(O)(C(F)(F)F)C1 ZINC000409426951 343799539 /nfs/dbraw/zinc/79/95/39/343799539.db2.gz DHQATBFKURYNFM-SCSAIBSYSA-N 1 0 212.171 -0.531 40 0 BBABRO [NH2+]=C(CN1C[C@@H](O)[C@H](n2ccnc2)C1)NO ZINC000409426978 343799407 /nfs/dbraw/zinc/79/94/07/343799407.db2.gz DKYRUPQCTARDFY-HTQZYQBOSA-N 1 0 225.252 -0.943 40 0 BBABRO [NH2+]=C(CN1C[C@@H](O)[C@@H](n2ccnc2)C1)NO ZINC000409426982 343799388 /nfs/dbraw/zinc/79/93/88/343799388.db2.gz DKYRUPQCTARDFY-JGVFFNPUSA-N 1 0 225.252 -0.943 40 0 BBABRO [NH2+]=C(CN1C[C@@H](n2ccnc2)[C@@H](O)C1)NO ZINC000409426983 343799532 /nfs/dbraw/zinc/79/95/32/343799532.db2.gz DKYRUPQCTARDFY-SFYZADRCSA-N 1 0 225.252 -0.943 40 0 BBABRO [NH2+]=C(CN1C[C@H](O)[C@@H](n2ccnc2)C1)NO ZINC000409426985 343799508 /nfs/dbraw/zinc/79/95/08/343799508.db2.gz DKYRUPQCTARDFY-YUMQZZPRSA-N 1 0 225.252 -0.943 40 0 BBABRO [NH3+]CC(=O)N1CCC[C@@]2(C[C@@H](O)CCO2)C1 ZINC000409426988 343799367 /nfs/dbraw/zinc/79/93/67/343799367.db2.gz DLBZERBTBRNERU-GXSJLCMTSA-N 1 0 228.292 -0.522 40 0 BBABRO [NH3+]CC(=O)N1CCC[C@]2(C[C@H](O)CCO2)C1 ZINC000409426994 343799738 /nfs/dbraw/zinc/79/97/38/343799738.db2.gz DLBZERBTBRNERU-KOLCDFICSA-N 1 0 228.292 -0.522 40 0 BBABRO [NH3+]CC(=O)N1CCC[C@@]2(C[C@H](O)CCO2)C1 ZINC000409426995 343799443 /nfs/dbraw/zinc/79/94/43/343799443.db2.gz DLBZERBTBRNERU-MWLCHTKSSA-N 1 0 228.292 -0.522 40 0 BBABRO [NH3+]CC(=O)N1CCC[C@]2(C[C@@H](O)CCO2)C1 ZINC000409426997 343799499 /nfs/dbraw/zinc/79/94/99/343799499.db2.gz DLBZERBTBRNERU-ONGXEEELSA-N 1 0 228.292 -0.522 40 0 BBABRO CC(=O)N1CC[C@@H](Cn2cc(C[NH3+])nn2)C1 ZINC000409427095 343800259 /nfs/dbraw/zinc/80/02/59/343800259.db2.gz UKJUNSIGRIXLCU-SECBINFHSA-N 1 0 223.280 -0.395 40 0 BBABRO CC(=O)N1CC[C@H](Cn2cc(C[NH3+])nn2)C1 ZINC000409427097 343800110 /nfs/dbraw/zinc/80/01/10/343800110.db2.gz UKJUNSIGRIXLCU-VIFPVBQESA-N 1 0 223.280 -0.395 40 0 BBABRO [NH3+]CC(=O)N1CCC2(CC1)C[C@H](O)CCO2 ZINC000409427118 343800106 /nfs/dbraw/zinc/80/01/06/343800106.db2.gz JPXGBOYWGPKRRT-SECBINFHSA-N 1 0 228.292 -0.522 40 0 BBABRO [NH3+]CC(=O)N1CCC2(CC1)C[C@@H](O)CCO2 ZINC000409427120 343799925 /nfs/dbraw/zinc/79/99/25/343799925.db2.gz JPXGBOYWGPKRRT-VIFPVBQESA-N 1 0 228.292 -0.522 40 0 BBABRO CCNc1ccc(N2CC[NH2+]CC2)nn1 ZINC000409427176 411649504 /nfs/dbraw/zinc/64/95/04/411649504.db2.gz HUMLGBYHNODBCU-UHFFFAOYSA-N 1 0 207.281 0.318 40 0 BBABRO CC(=O)N1CCC[C@H]1Cn1cc(C[NH3+])nn1 ZINC000409427201 343799931 /nfs/dbraw/zinc/79/99/31/343799931.db2.gz VFLPBYDEWZEMGS-JTQLQIEISA-N 1 0 223.280 -0.252 40 0 BBABRO CC(=O)N1CCC[C@@H]1Cn1cc(C[NH3+])nn1 ZINC000409427210 343800281 /nfs/dbraw/zinc/80/02/81/343800281.db2.gz VFLPBYDEWZEMGS-SNVBAGLBSA-N 1 0 223.280 -0.252 40 0 BBABRO C[C@H](O)[C@@H]1CCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000409427238 350476682 /nfs/dbraw/zinc/47/66/82/350476682.db2.gz KCIWJIKPRSERIN-AEJSXWLSSA-N 1 0 212.293 -0.032 40 0 BBABRO C[C@H](O)[C@@H]1CCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000409427239 343800554 /nfs/dbraw/zinc/80/05/54/343800554.db2.gz KCIWJIKPRSERIN-GUBZILKMSA-N 1 0 212.293 -0.032 40 0 BBABRO C[C@H](O)[C@H]1CCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000409427240 343800583 /nfs/dbraw/zinc/80/05/83/343800583.db2.gz KCIWJIKPRSERIN-IVZWLZJFSA-N 1 0 212.293 -0.032 40 0 BBABRO C[C@H](O)[C@H]1CCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000409427241 343800566 /nfs/dbraw/zinc/80/05/66/343800566.db2.gz KCIWJIKPRSERIN-LPEHRKFASA-N 1 0 212.293 -0.032 40 0 BBABRO Cc1nn(C2CCOCC2)c(=O)n1C1C[NH2+]C1 ZINC000409427285 343800595 /nfs/dbraw/zinc/80/05/95/343800595.db2.gz VPVHJISPEHQWLJ-UHFFFAOYSA-N 1 0 238.291 -0.151 40 0 BBABRO CCC[C@@H]1CN(C(=O)C[NH3+])CC[C@@H]1O ZINC000409427315 343800790 /nfs/dbraw/zinc/80/07/90/343800790.db2.gz DRTVFCNLOOTGND-BDAKNGLRSA-N 1 0 200.282 -0.045 40 0 BBABRO CCC[C@H]1CN(C(=O)C[NH3+])CC[C@H]1O ZINC000409427316 343800628 /nfs/dbraw/zinc/80/06/28/343800628.db2.gz DRTVFCNLOOTGND-DTWKUNHWSA-N 1 0 200.282 -0.045 40 0 BBABRO CCC[C@H]1CN(C(=O)C[NH3+])CC[C@@H]1O ZINC000409427317 343800679 /nfs/dbraw/zinc/80/06/79/343800679.db2.gz DRTVFCNLOOTGND-IUCAKERBSA-N 1 0 200.282 -0.045 40 0 BBABRO CCC[C@@H]1CN(C(=O)C[NH3+])CC[C@H]1O ZINC000409427318 343800697 /nfs/dbraw/zinc/80/06/97/343800697.db2.gz DRTVFCNLOOTGND-RKDXNWHRSA-N 1 0 200.282 -0.045 40 0 BBABRO CCO[C@H]1CN(CC(=[NH2+])NO)C[C@@H]1O ZINC000409427346 343800640 /nfs/dbraw/zinc/80/06/40/343800640.db2.gz DVULHEPUNICPJC-BQBZGAKWSA-N 1 0 203.242 -0.976 40 0 BBABRO CCO[C@@H]1CN(CC(=[NH2+])NO)C[C@@H]1O ZINC000409427347 343800561 /nfs/dbraw/zinc/80/05/61/343800561.db2.gz DVULHEPUNICPJC-NKWVEPMBSA-N 1 0 203.242 -0.976 40 0 BBABRO CCO[C@@H]1CN(CC(=[NH2+])NO)C[C@H]1O ZINC000409427348 343800585 /nfs/dbraw/zinc/80/05/85/343800585.db2.gz DVULHEPUNICPJC-RNFRBKRXSA-N 1 0 203.242 -0.976 40 0 BBABRO CCO[C@H]1CN(CC(=[NH2+])NO)C[C@H]1O ZINC000409427349 343800787 /nfs/dbraw/zinc/80/07/87/343800787.db2.gz DVULHEPUNICPJC-RQJHMYQMSA-N 1 0 203.242 -0.976 40 0 BBABRO [NH3+]CCC(=O)N1CC(F)(F)C[C@H]1CO ZINC000409427459 343801098 /nfs/dbraw/zinc/80/10/98/343801098.db2.gz FHCZWZTUYUNWPT-LURJTMIESA-N 1 0 208.208 -0.436 40 0 BBABRO [NH3+]CCC(=O)N1CC(F)(F)C[C@@H]1CO ZINC000409427464 350476959 /nfs/dbraw/zinc/47/69/59/350476959.db2.gz FHCZWZTUYUNWPT-ZCFIWIBFSA-N 1 0 208.208 -0.436 40 0 BBABRO O=C1N(CC(F)(F)F)CCOC12C[NH2+]C2 ZINC000409427501 343801282 /nfs/dbraw/zinc/80/12/82/343801282.db2.gz VWTAPGVVNSAYMG-UHFFFAOYSA-N 1 0 224.182 -0.251 40 0 BBABRO CN1CCN(c2cc(OCC[NH3+])ncn2)CC1 ZINC000409427524 343801169 /nfs/dbraw/zinc/80/11/69/343801169.db2.gz JMELRQBNYVMKED-UHFFFAOYSA-N 1 0 237.307 -0.434 40 0 BBABRO CCc1nn(CCOC)c(=O)n1C1C[NH2+]C1 ZINC000409427614 343801525 /nfs/dbraw/zinc/80/15/25/343801525.db2.gz WLJZMRIGTPFGDB-UHFFFAOYSA-N 1 0 226.280 -0.602 40 0 BBABRO COCCn1ncn([C@@H]2CC[NH2+]C2)c1=O ZINC000409427676 343801784 /nfs/dbraw/zinc/80/17/84/343801784.db2.gz XDNRRAKEZHEJAO-MRVPVSSYSA-N 1 0 212.253 -0.774 40 0 BBABRO COCCn1ncn([C@H]2CC[NH2+]C2)c1=O ZINC000409427679 343801746 /nfs/dbraw/zinc/80/17/46/343801746.db2.gz XDNRRAKEZHEJAO-QMMMGPOBSA-N 1 0 212.253 -0.774 40 0 BBABRO Cc1nn([C@@H]2CCOC2)c(=O)n1C1C[NH2+]C1 ZINC000409427770 343801484 /nfs/dbraw/zinc/80/14/84/343801484.db2.gz XRPSLYURDHVPRF-MRVPVSSYSA-N 1 0 224.264 -0.541 40 0 BBABRO Cc1nn([C@H]2CCOC2)c(=O)n1C1C[NH2+]C1 ZINC000409427773 343801734 /nfs/dbraw/zinc/80/17/34/343801734.db2.gz XRPSLYURDHVPRF-QMMMGPOBSA-N 1 0 224.264 -0.541 40 0 BBABRO CCO[C@@H]1CN(C(=O)CC[NH3+])C[C@@H]1OCC ZINC000409427778 343801712 /nfs/dbraw/zinc/80/17/12/343801712.db2.gz FKEPICUEQVYWDO-AOOOYVTPSA-N 1 0 230.308 -0.012 40 0 BBABRO CCO[C@@H]1CN(C(=O)CC[NH3+])C[C@H]1OCC ZINC000409427781 343801632 /nfs/dbraw/zinc/80/16/32/343801632.db2.gz FKEPICUEQVYWDO-NXEZZACHSA-N 1 0 230.308 -0.012 40 0 BBABRO CCO[C@H]1CN(C(=O)CC[NH3+])C[C@@H]1OCC ZINC000409427782 343801482 /nfs/dbraw/zinc/80/14/82/343801482.db2.gz FKEPICUEQVYWDO-UWVGGRQHSA-N 1 0 230.308 -0.012 40 0 BBABRO CO[C@@H]1CN(CC[NH3+])C[C@H]1n1ccnc1 ZINC000409427894 343802235 /nfs/dbraw/zinc/80/22/35/343802235.db2.gz FUACIPXFYSEXGC-NXEZZACHSA-N 1 0 210.281 -0.287 40 0 BBABRO CO[C@H]1CN(CC[NH3+])C[C@@H]1n1ccnc1 ZINC000409427902 343802219 /nfs/dbraw/zinc/80/22/19/343802219.db2.gz FUACIPXFYSEXGC-UWVGGRQHSA-N 1 0 210.281 -0.287 40 0 BBABRO CO[C@@H]1CN(CC[NH3+])C[C@@H]1n1ccnc1 ZINC000409427903 343802086 /nfs/dbraw/zinc/80/20/86/343802086.db2.gz FUACIPXFYSEXGC-VHSXEESVSA-N 1 0 210.281 -0.287 40 0 BBABRO CO[C@H]1CN(CC[NH3+])C[C@H]1n1ccnc1 ZINC000409427904 343801949 /nfs/dbraw/zinc/80/19/49/343801949.db2.gz FUACIPXFYSEXGC-ZJUUUORDSA-N 1 0 210.281 -0.287 40 0 BBABRO CO[C@@H]1C[N@H+](CCO)C[C@H]1n1ccnc1 ZINC000409427925 343802000 /nfs/dbraw/zinc/80/20/00/343802000.db2.gz FUSLCGWROFNZFP-NXEZZACHSA-N 1 0 211.265 -0.253 40 0 BBABRO CO[C@H]1C[N@H+](CCO)C[C@@H]1n1ccnc1 ZINC000409427927 343802028 /nfs/dbraw/zinc/80/20/28/343802028.db2.gz FUSLCGWROFNZFP-UWVGGRQHSA-N 1 0 211.265 -0.253 40 0 BBABRO CO[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnc1 ZINC000409427928 343802290 /nfs/dbraw/zinc/80/22/90/343802290.db2.gz FUSLCGWROFNZFP-VHSXEESVSA-N 1 0 211.265 -0.253 40 0 BBABRO CO[C@H]1C[N@H+](CCO)C[C@H]1n1ccnc1 ZINC000409427929 343802170 /nfs/dbraw/zinc/80/21/70/343802170.db2.gz FUSLCGWROFNZFP-ZJUUUORDSA-N 1 0 211.265 -0.253 40 0 BBABRO CO[C@@H]1CN(C(N)=[NH2+])C[C@H]1n1ccnc1 ZINC000409427935 343802117 /nfs/dbraw/zinc/80/21/17/343802117.db2.gz FVCTULOLZDVXJD-HTQZYQBOSA-N 1 0 209.253 -0.352 40 0 BBABRO CO[C@@H]1CN(C(N)=[NH2+])C[C@@H]1n1ccnc1 ZINC000409427936 343802197 /nfs/dbraw/zinc/80/21/97/343802197.db2.gz FVCTULOLZDVXJD-JGVFFNPUSA-N 1 0 209.253 -0.352 40 0 BBABRO CO[C@H]1CN(C(N)=[NH2+])C[C@H]1n1ccnc1 ZINC000409427939 343802331 /nfs/dbraw/zinc/80/23/31/343802331.db2.gz FVCTULOLZDVXJD-SFYZADRCSA-N 1 0 209.253 -0.352 40 0 BBABRO CO[C@H]1CN(C(N)=[NH2+])C[C@@H]1n1ccnc1 ZINC000409427941 343802247 /nfs/dbraw/zinc/80/22/47/343802247.db2.gz FVCTULOLZDVXJD-YUMQZZPRSA-N 1 0 209.253 -0.352 40 0 BBABRO [NH3+]CCC(=O)N1CCC2(CC1)C[C@@H](O)CCO2 ZINC000409427983 343801927 /nfs/dbraw/zinc/80/19/27/343801927.db2.gz LMHVPRZBQBIYOA-JTQLQIEISA-N 1 0 242.319 -0.132 40 0 BBABRO [NH3+]CCC(=O)N1CCC2(CC1)C[C@H](O)CCO2 ZINC000409427984 343801977 /nfs/dbraw/zinc/80/19/77/343801977.db2.gz LMHVPRZBQBIYOA-SNVBAGLBSA-N 1 0 242.319 -0.132 40 0 BBABRO [NH3+]Cc1cn(CC2CN(C(=O)C3CC3)C2)nn1 ZINC000409428014 343802610 /nfs/dbraw/zinc/80/26/10/343802610.db2.gz XWFCOEKHNQRTEQ-UHFFFAOYSA-N 1 0 235.291 -0.395 40 0 BBABRO [NH3+]Cc1cn(C2CN(C(=O)C(F)(F)F)C2)nn1 ZINC000409428032 343802553 /nfs/dbraw/zinc/80/25/53/343802553.db2.gz YHSHWESTFPHJQB-UHFFFAOYSA-N 1 0 249.196 -0.318 40 0 BBABRO CC(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000409428041 343802442 /nfs/dbraw/zinc/80/24/42/343802442.db2.gz YLAOSYDYVDQFSX-SECBINFHSA-N 1 0 209.253 -0.470 40 0 BBABRO CC(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000409428043 343802449 /nfs/dbraw/zinc/80/24/49/343802449.db2.gz YLAOSYDYVDQFSX-VIFPVBQESA-N 1 0 209.253 -0.470 40 0 BBABRO CCO[C@H]1CN(C(=O)C[NH2+]C)C[C@H]1OC ZINC000409428144 350476340 /nfs/dbraw/zinc/47/63/40/350476340.db2.gz FZLFSMRUYUFYRB-BDAKNGLRSA-N 1 0 216.281 -0.532 40 0 BBABRO CCO[C@@H]1CN(C(=O)C[NH2+]C)C[C@@H]1OC ZINC000409428146 343802633 /nfs/dbraw/zinc/80/26/33/343802633.db2.gz FZLFSMRUYUFYRB-DTWKUNHWSA-N 1 0 216.281 -0.532 40 0 BBABRO CCO[C@H]1CN(C(=O)C[NH2+]C)C[C@@H]1OC ZINC000409428147 343802488 /nfs/dbraw/zinc/80/24/88/343802488.db2.gz FZLFSMRUYUFYRB-IUCAKERBSA-N 1 0 216.281 -0.532 40 0 BBABRO CCO[C@@H]1CN(C(=O)C[NH2+]C)C[C@H]1OC ZINC000409428148 343802549 /nfs/dbraw/zinc/80/25/49/343802549.db2.gz FZLFSMRUYUFYRB-RKDXNWHRSA-N 1 0 216.281 -0.532 40 0 BBABRO [NH3+]CCNc1ccnc(N2CCOCC2)n1 ZINC000409428190 412298929 /nfs/dbraw/zinc/29/89/29/412298929.db2.gz MCHHPYZXUZILLF-UHFFFAOYSA-N 1 0 223.280 -0.316 40 0 BBABRO [NH3+]CCOc1cc(N2CCOCC2)ncn1 ZINC000409428225 343803191 /nfs/dbraw/zinc/80/31/91/343803191.db2.gz MFLYPGCENUVKJC-UHFFFAOYSA-N 1 0 224.264 -0.349 40 0 BBABRO C[NH2+]CC(=O)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC000409428286 343803276 /nfs/dbraw/zinc/80/32/76/343803276.db2.gz GFFUKCQECYHDLN-MRVPVSSYSA-N 1 0 240.225 -0.021 40 0 BBABRO C[NH2+]CC(=O)N1CC[C@](CO)(C(F)(F)F)C1 ZINC000409428288 343802990 /nfs/dbraw/zinc/80/29/90/343802990.db2.gz GFFUKCQECYHDLN-QMMMGPOBSA-N 1 0 240.225 -0.021 40 0 BBABRO Cc1nn(CC2CC2)c(=O)n1C1C[NH2+]C1 ZINC000409428413 343803025 /nfs/dbraw/zinc/80/30/25/343803025.db2.gz ZXFAWVWXLIVOJX-UHFFFAOYSA-N 1 0 208.265 -0.092 40 0 BBABRO COC(CNc1cc(N)[nH+]c(C)n1)OC ZINC000409428441 412353084 /nfs/dbraw/zinc/35/30/84/412353084.db2.gz FIPBLTNLJRSQIO-UHFFFAOYSA-N 1 0 212.253 0.398 40 0 BBABRO COCCN(C(=O)C1C[NH2+]C1)C1CCOCC1 ZINC000409428565 343804166 /nfs/dbraw/zinc/80/41/66/343804166.db2.gz GRYCQEINXWKVAF-UHFFFAOYSA-N 1 0 242.319 -0.140 40 0 BBABRO CC1(C)CN(CC(=[NH2+])NO)C[C@@H]1CO ZINC000409428678 343804174 /nfs/dbraw/zinc/80/41/74/343804174.db2.gz GWRYRVHEMGDPDO-SSDOTTSWSA-N 1 0 201.270 -0.107 40 0 BBABRO CC1(C)CN(CC(=[NH2+])NO)C[C@H]1CO ZINC000409428681 343804056 /nfs/dbraw/zinc/80/40/56/343804056.db2.gz GWRYRVHEMGDPDO-ZETCQYMHSA-N 1 0 201.270 -0.107 40 0 BBABRO C[C@@H](O)[C@H]1CCCN(C(=O)CC[NH3+])C1 ZINC000409428688 343804172 /nfs/dbraw/zinc/80/41/72/343804172.db2.gz MUZROVXPCYTXRE-BDAKNGLRSA-N 1 0 200.282 -0.045 40 0 BBABRO C[C@H](O)[C@@H]1CCCN(C(=O)CC[NH3+])C1 ZINC000409428690 343804181 /nfs/dbraw/zinc/80/41/81/343804181.db2.gz MUZROVXPCYTXRE-DTWKUNHWSA-N 1 0 200.282 -0.045 40 0 BBABRO C[C@H](O)[C@H]1CCCN(C(=O)CC[NH3+])C1 ZINC000409428692 343804288 /nfs/dbraw/zinc/80/42/88/343804288.db2.gz MUZROVXPCYTXRE-IUCAKERBSA-N 1 0 200.282 -0.045 40 0 BBABRO C[C@@H](O)[C@@H]1CCCN(C(=O)CC[NH3+])C1 ZINC000409428694 343804115 /nfs/dbraw/zinc/80/41/15/343804115.db2.gz MUZROVXPCYTXRE-RKDXNWHRSA-N 1 0 200.282 -0.045 40 0 BBABRO CNc1nccc(N2CCC[NH2+]CC2)n1 ZINC000409428808 412319719 /nfs/dbraw/zinc/31/97/19/412319719.db2.gz ONNGIYSIWNLDGD-UHFFFAOYSA-N 1 0 207.281 0.318 40 0 BBABRO Cc1cc(N2CCC2)nc(NCC[NH3+])n1 ZINC000409428886 412322292 /nfs/dbraw/zinc/32/22/92/412322292.db2.gz POPILTLAEWFHSZ-UHFFFAOYSA-N 1 0 207.281 0.366 40 0 BBABRO O=C([C@H]1CC[NH2+]C1)N1CC(O)(C(F)(F)F)C1 ZINC000409428963 385328350 /nfs/dbraw/zinc/32/83/50/385328350.db2.gz HCYYKLQSSHEUOH-LURJTMIESA-N 1 0 238.209 -0.269 40 0 BBABRO O=C([C@@H]1CC[NH2+]C1)N1CC(O)(C(F)(F)F)C1 ZINC000409428964 385328697 /nfs/dbraw/zinc/32/86/97/385328697.db2.gz HCYYKLQSSHEUOH-ZCFIWIBFSA-N 1 0 238.209 -0.269 40 0 BBABRO COCCNc1cc(OCC[NH3+])ncn1 ZINC000409429043 343804667 /nfs/dbraw/zinc/80/46/67/343804667.db2.gz AGUYBMABTGIZPI-UHFFFAOYSA-N 1 0 212.253 -0.128 40 0 BBABRO CC1(C)CN(C(=O)CC[NH3+])C[C@@H]1CO ZINC000409429107 343804549 /nfs/dbraw/zinc/80/45/49/343804549.db2.gz HKCVVOPZMGEQFX-MRVPVSSYSA-N 1 0 200.282 -0.188 40 0 BBABRO CC1(C)CN(C(=O)CC[NH3+])C[C@H]1CO ZINC000409429109 343804571 /nfs/dbraw/zinc/80/45/71/343804571.db2.gz HKCVVOPZMGEQFX-QMMMGPOBSA-N 1 0 200.282 -0.188 40 0 BBABRO [NH3+]CC(=O)N1C[C@@H]2CCCC[C@]2(CO)C1 ZINC000409429111 343804653 /nfs/dbraw/zinc/80/46/53/343804653.db2.gz HKKOAISZHHFGLX-GXSJLCMTSA-N 1 0 212.293 -0.044 40 0 BBABRO [NH3+]CC(=O)N1C[C@H]2CCCC[C@@]2(CO)C1 ZINC000409429113 343804679 /nfs/dbraw/zinc/80/46/79/343804679.db2.gz HKKOAISZHHFGLX-KOLCDFICSA-N 1 0 212.293 -0.044 40 0 BBABRO [NH3+]CC(=O)N1C[C@H]2CCCC[C@]2(CO)C1 ZINC000409429115 343804698 /nfs/dbraw/zinc/80/46/98/343804698.db2.gz HKKOAISZHHFGLX-MWLCHTKSSA-N 1 0 212.293 -0.044 40 0 BBABRO [NH3+]CC(=O)N1C[C@@H]2CCCC[C@@]2(CO)C1 ZINC000409429118 343804737 /nfs/dbraw/zinc/80/47/37/343804737.db2.gz HKKOAISZHHFGLX-ONGXEEELSA-N 1 0 212.293 -0.044 40 0 BBABRO CNc1ccnc(N2CCC[NH2+]CC2)n1 ZINC000409429211 412313044 /nfs/dbraw/zinc/31/30/44/412313044.db2.gz QDSWQKMMRLZHMN-UHFFFAOYSA-N 1 0 207.281 0.318 40 0 BBABRO [NH3+]CCOc1cc(N2CCC[C@@H](O)C2)ncn1 ZINC000409429243 343805281 /nfs/dbraw/zinc/80/52/81/343805281.db2.gz HRWHKGKMXPUQFP-SECBINFHSA-N 1 0 238.291 -0.225 40 0 BBABRO [NH3+]CCOc1cc(N2CCC[C@H](O)C2)ncn1 ZINC000409429247 343805297 /nfs/dbraw/zinc/80/52/97/343805297.db2.gz HRWHKGKMXPUQFP-VIFPVBQESA-N 1 0 238.291 -0.225 40 0 BBABRO Cc1nc(OCC[NH3+])cc(N2CCOCC2)n1 ZINC000409429259 343805032 /nfs/dbraw/zinc/80/50/32/343805032.db2.gz IBRDOTMGXPQRNN-UHFFFAOYSA-N 1 0 238.291 -0.041 40 0 BBABRO CCN(CCO)c1cc(OCC[NH3+])ncn1 ZINC000409429263 343805011 /nfs/dbraw/zinc/80/50/11/343805011.db2.gz IUWINJAFCYPMCA-UHFFFAOYSA-N 1 0 226.280 -0.367 40 0 BBABRO Cc1nc(OCC[NH3+])cc(N2CC[C@@H](O)C2)n1 ZINC000409429276 343805173 /nfs/dbraw/zinc/80/51/73/343805173.db2.gz JLVBONUPXGFGQN-SECBINFHSA-N 1 0 238.291 -0.306 40 0 BBABRO COCCN(C)c1cc(OCC[NH3+])ncn1 ZINC000409429334 343805223 /nfs/dbraw/zinc/80/52/23/343805223.db2.gz JYBQZRAHDPUGTB-UHFFFAOYSA-N 1 0 226.280 -0.103 40 0 BBABRO CCO[C@@H]1CN(C(=O)C[NH3+])C[C@@H]1OCC ZINC000409429396 343805517 /nfs/dbraw/zinc/80/55/17/343805517.db2.gz HKUIYMRMURPTQJ-DTORHVGOSA-N 1 0 216.281 -0.403 40 0 BBABRO Cc1nc(OCC[NH3+])cc(N2CC(O)C2)n1 ZINC000409429400 343805717 /nfs/dbraw/zinc/80/57/17/343805717.db2.gz LCEFVGMJTDXRSI-UHFFFAOYSA-N 1 0 224.264 -0.697 40 0 BBABRO CCO[C@H]1CN(C(=O)C[NH3+])C[C@@H]1OCC ZINC000409429402 343805523 /nfs/dbraw/zinc/80/55/23/343805523.db2.gz HKUIYMRMURPTQJ-IUCAKERBSA-N 1 0 216.281 -0.403 40 0 BBABRO CCO[C@@H]1CN(C(=O)C[NH3+])C[C@H]1OCC ZINC000409429403 343805650 /nfs/dbraw/zinc/80/56/50/343805650.db2.gz HKUIYMRMURPTQJ-RKDXNWHRSA-N 1 0 216.281 -0.403 40 0 BBABRO [NH2+]=C(CN1CCC2(CC1)C[C@H](O)CCO2)NO ZINC000409429430 343805679 /nfs/dbraw/zinc/80/56/79/343805679.db2.gz OFNQACZCQAWGNP-SECBINFHSA-N 1 0 243.307 -0.052 40 0 BBABRO [NH2+]=C(CN1CCC2(CC1)C[C@@H](O)CCO2)NO ZINC000409429445 343805696 /nfs/dbraw/zinc/80/56/96/343805696.db2.gz OFNQACZCQAWGNP-VIFPVBQESA-N 1 0 243.307 -0.052 40 0 BBABRO NC(=O)C1CCN(CC(=[NH2+])NO)CC1 ZINC000409429447 343805639 /nfs/dbraw/zinc/80/56/39/343805639.db2.gz RWAPAAXQIJIKHO-UHFFFAOYSA-N 1 0 200.242 -0.860 40 0 BBABRO CN(CCO)c1cc(N2CC[NH2+]CC2)ncn1 ZINC000409429460 343805776 /nfs/dbraw/zinc/80/57/76/343805776.db2.gz LGLTWYGVFFSAOT-UHFFFAOYSA-N 1 0 237.307 -0.685 40 0 BBABRO COC[C@H]1CN(C(=O)C2C[NH2+]C2)C[C@H]1C ZINC000409429508 343805569 /nfs/dbraw/zinc/80/55/69/343805569.db2.gz OJSWENWCBHESNA-PSASIEDQSA-N 1 0 212.293 -0.053 40 0 BBABRO COC[C@@H]1CN(C(=O)C2C[NH2+]C2)C[C@H]1C ZINC000409429509 343805615 /nfs/dbraw/zinc/80/56/15/343805615.db2.gz OJSWENWCBHESNA-SCZZXKLOSA-N 1 0 212.293 -0.053 40 0 BBABRO COC[C@H]1CN(C(=O)C2C[NH2+]C2)C[C@@H]1C ZINC000409429510 343805746 /nfs/dbraw/zinc/80/57/46/343805746.db2.gz OJSWENWCBHESNA-WCBMZHEXSA-N 1 0 212.293 -0.053 40 0 BBABRO COC[C@@H]1CN(C(=O)C2C[NH2+]C2)C[C@@H]1C ZINC000409429511 343805594 /nfs/dbraw/zinc/80/55/94/343805594.db2.gz OJSWENWCBHESNA-WPRPVWTQSA-N 1 0 212.293 -0.053 40 0 BBABRO CO[C@@H]1CN(CC[NH3+])C[C@H]1n1cccn1 ZINC000409429687 343806233 /nfs/dbraw/zinc/80/62/33/343806233.db2.gz HVRMWVAYDDSUMX-NXEZZACHSA-N 1 0 210.281 -0.287 40 0 BBABRO CO[C@H]1CN(CC[NH3+])C[C@@H]1n1cccn1 ZINC000409429688 343806113 /nfs/dbraw/zinc/80/61/13/343806113.db2.gz HVRMWVAYDDSUMX-UWVGGRQHSA-N 1 0 210.281 -0.287 40 0 BBABRO CO[C@@H]1CN(CC[NH3+])C[C@@H]1n1cccn1 ZINC000409429690 343806184 /nfs/dbraw/zinc/80/61/84/343806184.db2.gz HVRMWVAYDDSUMX-VHSXEESVSA-N 1 0 210.281 -0.287 40 0 BBABRO CO[C@H]1CN(CC[NH3+])C[C@H]1n1cccn1 ZINC000409429692 343806096 /nfs/dbraw/zinc/80/60/96/343806096.db2.gz HVRMWVAYDDSUMX-ZJUUUORDSA-N 1 0 210.281 -0.287 40 0 BBABRO [NH3+]CCN1C[C@H]2CCCCN2S1(=O)=O ZINC000409429711 343805998 /nfs/dbraw/zinc/80/59/98/343805998.db2.gz DHBJSDSEGMGHEZ-MRVPVSSYSA-N 1 0 219.310 -0.640 40 0 BBABRO [NH3+]CCN1C[C@@H]2CCCCN2S1(=O)=O ZINC000409429712 350133718 /nfs/dbraw/zinc/13/37/18/350133718.db2.gz DHBJSDSEGMGHEZ-QMMMGPOBSA-N 1 0 219.310 -0.640 40 0 BBABRO COC1CN(c2cc(NCC[NH3+])ncn2)C1 ZINC000409429732 343806600 /nfs/dbraw/zinc/80/66/00/343806600.db2.gz SCNGWOHYZHLIGV-UHFFFAOYSA-N 1 0 223.280 -0.318 40 0 BBABRO [NH3+]CCNc1ccnc(NC[C@H]2CCCO2)n1 ZINC000409429778 410966297 /nfs/dbraw/zinc/96/62/97/410966297.db2.gz SWHYSFAHZXXJBN-SECBINFHSA-N 1 0 237.307 0.438 40 0 BBABRO [NH3+]CCNc1ccnc(NC[C@@H]2CCCO2)n1 ZINC000409429779 412299678 /nfs/dbraw/zinc/29/96/78/412299678.db2.gz SWHYSFAHZXXJBN-VIFPVBQESA-N 1 0 237.307 0.438 40 0 BBABRO CO[C@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@@H]1O ZINC000409429816 343806733 /nfs/dbraw/zinc/80/67/33/343806733.db2.gz HWJYIPKEZYCUBI-UWVGGRQHSA-N 1 0 228.292 -0.796 40 0 BBABRO CO[C@@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@@H]1O ZINC000409429818 343806725 /nfs/dbraw/zinc/80/67/25/343806725.db2.gz HWJYIPKEZYCUBI-VHSXEESVSA-N 1 0 228.292 -0.796 40 0 BBABRO CO[C@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@H]1O ZINC000409429820 343806623 /nfs/dbraw/zinc/80/66/23/343806623.db2.gz HWJYIPKEZYCUBI-ZJUUUORDSA-N 1 0 228.292 -0.796 40 0 BBABRO C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)C[C@H]1CO ZINC000409430212 343807647 /nfs/dbraw/zinc/80/76/47/343807647.db2.gz QCCOXGYVEYMTOS-BBBLOLIVSA-N 1 0 212.293 -0.317 40 0 BBABRO C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@@H]1CO ZINC000409430213 343807538 /nfs/dbraw/zinc/80/75/38/343807538.db2.gz QCCOXGYVEYMTOS-KXUCPTDWSA-N 1 0 212.293 -0.317 40 0 BBABRO C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)C[C@@H]1CO ZINC000409430215 343807595 /nfs/dbraw/zinc/80/75/95/343807595.db2.gz QCCOXGYVEYMTOS-OPRDCNLKSA-N 1 0 212.293 -0.317 40 0 BBABRO C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@H]1CO ZINC000409430217 343807482 /nfs/dbraw/zinc/80/74/82/343807482.db2.gz QCCOXGYVEYMTOS-UTLUCORTSA-N 1 0 212.293 -0.317 40 0 BBABRO O=C(C1C[NH2+]C1)N1CCC2(COC2)CC1 ZINC000409430262 343807626 /nfs/dbraw/zinc/80/76/26/343807626.db2.gz QFTBATWRJDWWIP-UHFFFAOYSA-N 1 0 210.277 -0.155 40 0 BBABRO OCC[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000409430377 343808164 /nfs/dbraw/zinc/80/81/64/343808164.db2.gz QNWMUPUPRHMNPO-JTQLQIEISA-N 1 0 215.293 -0.015 40 0 BBABRO OCC[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000409430387 343808140 /nfs/dbraw/zinc/80/81/40/343808140.db2.gz QNWMUPUPRHMNPO-SNVBAGLBSA-N 1 0 215.293 -0.015 40 0 BBABRO [NH3+]CCNc1ccnc(N2CCCC2)n1 ZINC000409430448 412295710 /nfs/dbraw/zinc/29/57/10/412295710.db2.gz VTCRMDCJRGITHN-UHFFFAOYSA-N 1 0 207.281 0.447 40 0 BBABRO CO[C@H]1CCO[C@]2(CCN(C(=O)C[NH3+])C2)C1 ZINC000409430466 343808272 /nfs/dbraw/zinc/80/82/72/343808272.db2.gz IPBOUQTVFRVDPW-GXSJLCMTSA-N 1 0 228.292 -0.258 40 0 BBABRO CO[C@@H]1CCO[C@@]2(CCN(C(=O)C[NH3+])C2)C1 ZINC000409430472 343808262 /nfs/dbraw/zinc/80/82/62/343808262.db2.gz IPBOUQTVFRVDPW-KOLCDFICSA-N 1 0 228.292 -0.258 40 0 BBABRO CO[C@@H]1CCO[C@]2(CCN(C(=O)C[NH3+])C2)C1 ZINC000409430474 343808002 /nfs/dbraw/zinc/80/80/02/343808002.db2.gz IPBOUQTVFRVDPW-MWLCHTKSSA-N 1 0 228.292 -0.258 40 0 BBABRO CO[C@H]1CCO[C@@]2(CCN(C(=O)C[NH3+])C2)C1 ZINC000409430475 343808049 /nfs/dbraw/zinc/80/80/49/343808049.db2.gz IPBOUQTVFRVDPW-ONGXEEELSA-N 1 0 228.292 -0.258 40 0 BBABRO CO[C@H]1CN(C(=O)CC2CC[NH2+]CC2)C[C@H]1O ZINC000409430484 343808246 /nfs/dbraw/zinc/80/82/46/343808246.db2.gz IQJRGOFLUVHITP-MNOVXSKESA-N 1 0 242.319 -0.406 40 0 BBABRO CO[C@H]1CN(C(=O)CC2CC[NH2+]CC2)C[C@@H]1O ZINC000409430486 343808257 /nfs/dbraw/zinc/80/82/57/343808257.db2.gz IQJRGOFLUVHITP-QWRGUYRKSA-N 1 0 242.319 -0.406 40 0 BBABRO CO[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)C[C@@H]1O ZINC000409430487 343808727 /nfs/dbraw/zinc/80/87/27/343808727.db2.gz IQJRGOFLUVHITP-WDEREUQCSA-N 1 0 242.319 -0.406 40 0 BBABRO C[C@@H]1Cn2nc(CO)cc2CN1C(=O)CC[NH3+] ZINC000409430779 343809275 /nfs/dbraw/zinc/80/92/75/343809275.db2.gz JAMBOEUQPKBCTL-MRVPVSSYSA-N 1 0 238.291 -0.545 40 0 BBABRO C[C@H]1Cn2nc(CO)cc2CN1C(=O)CC[NH3+] ZINC000409430784 343809221 /nfs/dbraw/zinc/80/92/21/343809221.db2.gz JAMBOEUQPKBCTL-QMMMGPOBSA-N 1 0 238.291 -0.545 40 0 BBABRO NC(=[NH2+])N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000409430876 343809119 /nfs/dbraw/zinc/80/91/19/343809119.db2.gz XEJLNYWGJVJQRX-MRVPVSSYSA-N 1 0 226.280 -0.797 40 0 BBABRO NC(=[NH2+])N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000409430880 343809131 /nfs/dbraw/zinc/80/91/31/343809131.db2.gz XEJLNYWGJVJQRX-QMMMGPOBSA-N 1 0 226.280 -0.797 40 0 BBABRO Cc1cc(NC2CC2)nc(NCC[NH3+])n1 ZINC000409430907 385328341 /nfs/dbraw/zinc/32/83/41/385328341.db2.gz XHHSIMOEIWXEKW-UHFFFAOYSA-N 1 0 207.281 -0.426 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1C[C@H](CO)C(C)(C)C1 ZINC000409431119 343809782 /nfs/dbraw/zinc/80/97/82/343809782.db2.gz JKUOHNXWAWMJCB-HTQZYQBOSA-N 1 0 200.282 -0.190 40 0 BBABRO C[C@H]([NH3+])C(=O)N1C[C@H](CO)C(C)(C)C1 ZINC000409431120 343809778 /nfs/dbraw/zinc/80/97/78/343809778.db2.gz JKUOHNXWAWMJCB-JGVFFNPUSA-N 1 0 200.282 -0.190 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1C[C@@H](CO)C(C)(C)C1 ZINC000409431121 343809765 /nfs/dbraw/zinc/80/97/65/343809765.db2.gz JKUOHNXWAWMJCB-SFYZADRCSA-N 1 0 200.282 -0.190 40 0 BBABRO C[C@H]([NH3+])C(=O)N1C[C@@H](CO)C(C)(C)C1 ZINC000409431123 343809796 /nfs/dbraw/zinc/80/97/96/343809796.db2.gz JKUOHNXWAWMJCB-YUMQZZPRSA-N 1 0 200.282 -0.190 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1Cc2cc(CO)nn2C[C@H]1C ZINC000409431134 343809603 /nfs/dbraw/zinc/80/96/03/343809603.db2.gz JNJXFBNLXDNBGD-HTQZYQBOSA-N 1 0 238.291 -0.547 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1Cc2cc(CO)nn2C[C@@H]1C ZINC000409431137 343809908 /nfs/dbraw/zinc/80/99/08/343809908.db2.gz JNJXFBNLXDNBGD-JGVFFNPUSA-N 1 0 238.291 -0.547 40 0 BBABRO C[C@H]([NH3+])C(=O)N1Cc2cc(CO)nn2C[C@H]1C ZINC000409431138 343809745 /nfs/dbraw/zinc/80/97/45/343809745.db2.gz JNJXFBNLXDNBGD-SFYZADRCSA-N 1 0 238.291 -0.547 40 0 BBABRO C[C@H]([NH3+])C(=O)N1Cc2cc(CO)nn2C[C@@H]1C ZINC000409431140 343809657 /nfs/dbraw/zinc/80/96/57/343809657.db2.gz JNJXFBNLXDNBGD-YUMQZZPRSA-N 1 0 238.291 -0.547 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000409431176 343809731 /nfs/dbraw/zinc/80/97/31/343809731.db2.gz JPBLAVASEGBRTB-GARJFASQSA-N 1 0 242.319 -0.406 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@H]1O ZINC000409431178 343809754 /nfs/dbraw/zinc/80/97/54/343809754.db2.gz JPBLAVASEGBRTB-GMTAPVOTSA-N 1 0 242.319 -0.406 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)C[C@H]1O ZINC000409431180 343809636 /nfs/dbraw/zinc/80/96/36/343809636.db2.gz JPBLAVASEGBRTB-HBNTYKKESA-N 1 0 242.319 -0.406 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000409431182 343809769 /nfs/dbraw/zinc/80/97/69/343809769.db2.gz JPBLAVASEGBRTB-OUAUKWLOSA-N 1 0 242.319 -0.406 40 0 BBABRO COC(CNc1cc(OCC[NH3+])ncn1)OC ZINC000409431299 350477478 /nfs/dbraw/zinc/47/74/78/350477478.db2.gz MFMKCDOEILHEFK-UHFFFAOYSA-N 1 0 242.279 -0.155 40 0 BBABRO CCN(CCO)c1cc(OCC[NH3+])nc(C)n1 ZINC000409431313 343822489 /nfs/dbraw/zinc/82/24/89/343822489.db2.gz NSUVNKYLRBLNAQ-UHFFFAOYSA-N 1 0 240.307 -0.059 40 0 BBABRO CN(CCO)c1cc(OCC[NH3+])ncn1 ZINC000409431315 343822381 /nfs/dbraw/zinc/82/23/81/343822381.db2.gz NTZUDRHTPJCRAA-UHFFFAOYSA-N 1 0 212.253 -0.757 40 0 BBABRO [NH3+]CCOc1cc(N2CCC(O)CC2)ncn1 ZINC000409431319 343798095 /nfs/dbraw/zinc/79/80/95/343798095.db2.gz NZGYHRNXNKTYPU-UHFFFAOYSA-N 1 0 238.291 -0.225 40 0 BBABRO Cc1nc(OCC[NH3+])cc(N(C)CCO)n1 ZINC000409431435 343823301 /nfs/dbraw/zinc/82/33/01/343823301.db2.gz SXXRRRFKFMTFDF-UHFFFAOYSA-N 1 0 226.280 -0.449 40 0 BBABRO O=S1(=O)N(C2C[NH2+]C2)CCN1C1CCCC1 ZINC000409431458 343823579 /nfs/dbraw/zinc/82/35/79/343823579.db2.gz KBKHXGYMBQQTDB-UHFFFAOYSA-N 1 0 245.348 -0.237 40 0 BBABRO COCC[NH+]1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000409431560 343824139 /nfs/dbraw/zinc/82/41/39/343824139.db2.gz RARQVVZUOMWSCI-UHFFFAOYSA-N 1 0 238.291 -0.049 40 0 BBABRO [NH3+]CCOc1cc(N2CC[C@@H](O)C2)ncn1 ZINC000409431613 343824086 /nfs/dbraw/zinc/82/40/86/343824086.db2.gz XPCBMIFOANDPLZ-MRVPVSSYSA-N 1 0 224.264 -0.615 40 0 BBABRO OC1CN(c2cc(N3CC[NH2+]CC3)ncn2)C1 ZINC000409431622 343824017 /nfs/dbraw/zinc/82/40/17/343824017.db2.gz XUTIGXBBBRGMTQ-UHFFFAOYSA-N 1 0 235.291 -0.933 40 0 BBABRO CCO[C@H]1CN(CC(=[NH2+])NO)C[C@@H]1OC ZINC000409431709 350478078 /nfs/dbraw/zinc/47/80/78/350478078.db2.gz KAZVINOBQVNXLQ-YUMQZZPRSA-N 1 0 217.269 -0.322 40 0 BBABRO O=C([C@@H]1CC[NH2+]C1)N1C[C@H]2C[C@@H](C1)C2O ZINC000409431822 343822893 /nfs/dbraw/zinc/82/28/93/343822893.db2.gz SZOHATXXMVHCHZ-HNJRMYHASA-N 1 0 210.277 -0.565 40 0 BBABRO O=C([C@H]1CC[NH2+]C1)N1C[C@H]2C[C@@H](C1)C2O ZINC000409431825 343822823 /nfs/dbraw/zinc/82/28/23/343822823.db2.gz SZOHATXXMVHCHZ-IZJGZUANSA-N 1 0 210.277 -0.565 40 0 BBABRO [NH3+]CCC(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000409432043 343825299 /nfs/dbraw/zinc/82/52/99/343825299.db2.gz KPJNXIDSEVKPQU-GXSJLCMTSA-N 1 0 212.293 -0.044 40 0 BBABRO [NH3+]CCC(=O)N1C[C@H]2CCC[C@@]2(CO)C1 ZINC000409432044 343824871 /nfs/dbraw/zinc/82/48/71/343824871.db2.gz KPJNXIDSEVKPQU-KOLCDFICSA-N 1 0 212.293 -0.044 40 0 BBABRO [NH3+]CCC(=O)N1C[C@H]2CCC[C@]2(CO)C1 ZINC000409432045 343825047 /nfs/dbraw/zinc/82/50/47/343825047.db2.gz KPJNXIDSEVKPQU-MWLCHTKSSA-N 1 0 212.293 -0.044 40 0 BBABRO [NH3+]CCC(=O)N1C[C@@H]2CCC[C@@]2(CO)C1 ZINC000409432047 343825251 /nfs/dbraw/zinc/82/52/51/343825251.db2.gz KPJNXIDSEVKPQU-ONGXEEELSA-N 1 0 212.293 -0.044 40 0 BBABRO O=C([C@H]1CCC[NH2+]1)N1CC(F)(F)C[C@@H]1CO ZINC000409432065 343824913 /nfs/dbraw/zinc/82/49/13/343824913.db2.gz KTDVIWSVAKVWJD-HTQZYQBOSA-N 1 0 234.246 -0.033 40 0 BBABRO O=C([C@H]1CCC[NH2+]1)N1CC(F)(F)C[C@H]1CO ZINC000409432069 343825110 /nfs/dbraw/zinc/82/51/10/343825110.db2.gz KTDVIWSVAKVWJD-JGVFFNPUSA-N 1 0 234.246 -0.033 40 0 BBABRO O=C([C@@H]1CCC[NH2+]1)N1CC(F)(F)C[C@@H]1CO ZINC000409432070 343825133 /nfs/dbraw/zinc/82/51/33/343825133.db2.gz KTDVIWSVAKVWJD-SFYZADRCSA-N 1 0 234.246 -0.033 40 0 BBABRO O=C([C@@H]1CCC[NH2+]1)N1CC(F)(F)C[C@H]1CO ZINC000409432071 343824982 /nfs/dbraw/zinc/82/49/82/343824982.db2.gz KTDVIWSVAKVWJD-YUMQZZPRSA-N 1 0 234.246 -0.033 40 0 BBABRO c1c2c(nnc1N1CC[NH2+]CC1)COCC2 ZINC000409432168 343825645 /nfs/dbraw/zinc/82/56/45/343825645.db2.gz URLHJQACNCFKOV-UHFFFAOYSA-N 1 0 220.276 -0.041 40 0 BBABRO [NH3+]CCN1CC[C@]2(C1)C[C@H](O)CCO2 ZINC000409432291 343826133 /nfs/dbraw/zinc/82/61/33/343826133.db2.gz KZTRMRCEXYEGRA-NXEZZACHSA-N 1 0 200.282 -0.439 40 0 BBABRO [NH3+]CCN1CC[C@@]2(C1)C[C@@H](O)CCO2 ZINC000409432292 343826209 /nfs/dbraw/zinc/82/62/09/343826209.db2.gz KZTRMRCEXYEGRA-UWVGGRQHSA-N 1 0 200.282 -0.439 40 0 BBABRO [NH3+]CCN1CC[C@]2(C1)C[C@@H](O)CCO2 ZINC000409432294 343826174 /nfs/dbraw/zinc/82/61/74/343826174.db2.gz KZTRMRCEXYEGRA-VHSXEESVSA-N 1 0 200.282 -0.439 40 0 BBABRO [NH3+]CCN1CC[C@@]2(C1)C[C@H](O)CCO2 ZINC000409432296 350477563 /nfs/dbraw/zinc/47/75/63/350477563.db2.gz KZTRMRCEXYEGRA-ZJUUUORDSA-N 1 0 200.282 -0.439 40 0 BBABRO C[NH2+]CC(=O)N1CC(O)(C(F)(F)F)C1 ZINC000409432323 350134371 /nfs/dbraw/zinc/13/43/71/350134371.db2.gz LCXJWYHSVPFBMG-UHFFFAOYSA-N 1 0 212.171 -0.659 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@@H]1OC ZINC000409432324 343826022 /nfs/dbraw/zinc/82/60/22/343826022.db2.gz LCXNIVUVTRIJQY-GARJFASQSA-N 1 0 242.319 -0.142 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)C[C@H]1OC ZINC000409432325 343826073 /nfs/dbraw/zinc/82/60/73/343826073.db2.gz LCXNIVUVTRIJQY-GMTAPVOTSA-N 1 0 242.319 -0.142 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@H]1OC ZINC000409432326 343826116 /nfs/dbraw/zinc/82/61/16/343826116.db2.gz LCXNIVUVTRIJQY-HBNTYKKESA-N 1 0 242.319 -0.142 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)C[C@@H]1OC ZINC000409432327 343826179 /nfs/dbraw/zinc/82/61/79/343826179.db2.gz LCXNIVUVTRIJQY-OUAUKWLOSA-N 1 0 242.319 -0.142 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CC[C@]2(C1)C[C@@H](O)CCO2 ZINC000409432370 343826070 /nfs/dbraw/zinc/82/60/70/343826070.db2.gz LFDNLRZNOOXHIF-ATZCPNFKSA-N 1 0 228.292 -0.524 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CC[C@]2(C1)C[C@H](O)CCO2 ZINC000409432371 343826057 /nfs/dbraw/zinc/82/60/57/343826057.db2.gz LFDNLRZNOOXHIF-IQJOONFLSA-N 1 0 228.292 -0.524 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)C[C@H](O)CCO2 ZINC000409432372 343826254 /nfs/dbraw/zinc/82/62/54/343826254.db2.gz LFDNLRZNOOXHIF-NGZCFLSTSA-N 1 0 228.292 -0.524 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)C[C@@H](O)CCO2 ZINC000409432373 343826062 /nfs/dbraw/zinc/82/60/62/343826062.db2.gz LFDNLRZNOOXHIF-QXEWZRGKSA-N 1 0 228.292 -0.524 40 0 BBABRO O=S1(=O)N(C2CC2)CCCN1C1C[NH2+]C1 ZINC000409432470 343826553 /nfs/dbraw/zinc/82/65/53/343826553.db2.gz OBPMVTLCUCRFOL-UHFFFAOYSA-N 1 0 231.321 -0.627 40 0 BBABRO CCN1CCCN(C2C[NH2+]C2)S1(=O)=O ZINC000409432488 350134316 /nfs/dbraw/zinc/13/43/16/350134316.db2.gz OIEBNDDSAJRCJU-UHFFFAOYSA-N 1 0 219.310 -0.769 40 0 BBABRO [NH2+]=C(CN1CC(F)(F)C[C@@H]1CO)NO ZINC000409432727 343827391 /nfs/dbraw/zinc/82/73/91/343827391.db2.gz LSNCCZGVVJDDOT-RXMQYKEDSA-N 1 0 209.196 -0.356 40 0 BBABRO [NH2+]=C(CN1CC(F)(F)C[C@H]1CO)NO ZINC000409432729 343827750 /nfs/dbraw/zinc/82/77/50/343827750.db2.gz LSNCCZGVVJDDOT-YFKPBYRVSA-N 1 0 209.196 -0.356 40 0 BBABRO CC(C)N1CCCN(C2C[NH2+]C2)S1(=O)=O ZINC000409432831 350477880 /nfs/dbraw/zinc/47/78/80/350477880.db2.gz PDIYINMMWADFRK-UHFFFAOYSA-N 1 0 233.337 -0.381 40 0 BBABRO O=C(C1C[NH2+]C1)N1CC[C@@H]2COC[C@H]2C1 ZINC000409432893 343828187 /nfs/dbraw/zinc/82/81/87/343828187.db2.gz WWKZWQIWZUBLOO-PSASIEDQSA-N 1 0 210.277 -0.299 40 0 BBABRO O=C(C1C[NH2+]C1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000409432894 343827897 /nfs/dbraw/zinc/82/78/97/343827897.db2.gz WWKZWQIWZUBLOO-SCZZXKLOSA-N 1 0 210.277 -0.299 40 0 BBABRO O=C(C1C[NH2+]C1)N1CC[C@H]2COC[C@H]2C1 ZINC000409432895 343828329 /nfs/dbraw/zinc/82/83/29/343828329.db2.gz WWKZWQIWZUBLOO-WCBMZHEXSA-N 1 0 210.277 -0.299 40 0 BBABRO O=C(C1C[NH2+]C1)N1CC[C@H]2COC[C@@H]2C1 ZINC000409432897 343828332 /nfs/dbraw/zinc/82/83/32/343828332.db2.gz WWKZWQIWZUBLOO-WPRPVWTQSA-N 1 0 210.277 -0.299 40 0 BBABRO COc1cc(N2CC[NH2+]CC2)c(OC)nn1 ZINC000409432929 343828832 /nfs/dbraw/zinc/82/88/32/343828832.db2.gz PZQGJQWROGJKFN-UHFFFAOYSA-N 1 0 224.264 -0.097 40 0 BBABRO CC[C@@H]1CN(C(=O)CC[NH3+])CC[C@@H]1O ZINC000409433098 343826574 /nfs/dbraw/zinc/82/65/74/343826574.db2.gz MKEWFEFQUJUVSY-BDAKNGLRSA-N 1 0 200.282 -0.045 40 0 BBABRO CC[C@H]1CN(C(=O)CC[NH3+])CC[C@H]1O ZINC000409433100 343826465 /nfs/dbraw/zinc/82/64/65/343826465.db2.gz MKEWFEFQUJUVSY-DTWKUNHWSA-N 1 0 200.282 -0.045 40 0 BBABRO CC[C@H]1CN(C(=O)CC[NH3+])CC[C@@H]1O ZINC000409433102 343826656 /nfs/dbraw/zinc/82/66/56/343826656.db2.gz MKEWFEFQUJUVSY-IUCAKERBSA-N 1 0 200.282 -0.045 40 0 BBABRO CC[C@@H]1CN(C(=O)CC[NH3+])CC[C@H]1O ZINC000409433103 343826598 /nfs/dbraw/zinc/82/65/98/343826598.db2.gz MKEWFEFQUJUVSY-RKDXNWHRSA-N 1 0 200.282 -0.045 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1CCC2(CC1)C[C@H](O)CCO2 ZINC000409433207 343826900 /nfs/dbraw/zinc/82/69/00/343826900.db2.gz XUNDHACWQHUQBQ-NXEZZACHSA-N 1 0 242.319 -0.134 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CCC2(CC1)C[C@@H](O)CCO2 ZINC000409433209 343827080 /nfs/dbraw/zinc/82/70/80/343827080.db2.gz XUNDHACWQHUQBQ-UWVGGRQHSA-N 1 0 242.319 -0.134 40 0 BBABRO COCCN(C(=O)[C@@H](C)[NH3+])C1CCOCC1 ZINC000409433303 343831970 /nfs/dbraw/zinc/83/19/70/343831970.db2.gz MMHBDUNMMZDPEC-SECBINFHSA-N 1 0 230.308 -0.012 40 0 BBABRO COCCN(C(=O)[C@H](C)[NH3+])C1CCOCC1 ZINC000409433304 343832088 /nfs/dbraw/zinc/83/20/88/343832088.db2.gz MMHBDUNMMZDPEC-VIFPVBQESA-N 1 0 230.308 -0.012 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CCC2(CC1)C[C@H](O)CCO2 ZINC000409433314 343832344 /nfs/dbraw/zinc/83/23/44/343832344.db2.gz XUNDHACWQHUQBQ-VHSXEESVSA-N 1 0 242.319 -0.134 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1CCC2(CC1)C[C@@H](O)CCO2 ZINC000409433316 343832006 /nfs/dbraw/zinc/83/20/06/343832006.db2.gz XUNDHACWQHUQBQ-ZJUUUORDSA-N 1 0 242.319 -0.134 40 0 BBABRO C[NH2+]CC(=O)N1CCC2(CC1)C[C@@H](O)CCO2 ZINC000409433351 343832308 /nfs/dbraw/zinc/83/23/08/343832308.db2.gz XYPLJMWTHYVLLG-JTQLQIEISA-N 1 0 242.319 -0.262 40 0 BBABRO C[NH2+]CC(=O)N1CCC2(CC1)C[C@H](O)CCO2 ZINC000409433353 343831954 /nfs/dbraw/zinc/83/19/54/343831954.db2.gz XYPLJMWTHYVLLG-SNVBAGLBSA-N 1 0 242.319 -0.262 40 0 BBABRO COC1(C(F)(F)F)CN(C(=O)C2C[NH2+]C2)C1 ZINC000409433365 343832220 /nfs/dbraw/zinc/83/22/20/343832220.db2.gz MQAUOSZKCGRHPE-UHFFFAOYSA-N 1 0 238.209 -0.005 40 0 BBABRO [NH2+]=C(CN1C[C@@H](O)[C@@H](n2cccn2)C1)NO ZINC000409433385 343832604 /nfs/dbraw/zinc/83/26/04/343832604.db2.gz MRAALRGOVKLWNE-JGVFFNPUSA-N 1 0 225.252 -0.943 40 0 BBABRO [NH2+]=C(CN1C[C@@H](n2cccn2)[C@@H](O)C1)NO ZINC000409433386 343832626 /nfs/dbraw/zinc/83/26/26/343832626.db2.gz MRAALRGOVKLWNE-SFYZADRCSA-N 1 0 225.252 -0.943 40 0 BBABRO [NH2+]=C(CN1C[C@H](O)[C@@H](n2cccn2)C1)NO ZINC000409433387 343832572 /nfs/dbraw/zinc/83/25/72/343832572.db2.gz MRAALRGOVKLWNE-YUMQZZPRSA-N 1 0 225.252 -0.943 40 0 BBABRO O=C([C@H]1CCCC[NH2+]1)N1C[C@H]2C[C@@H](C1)C2O ZINC000409433589 343829240 /nfs/dbraw/zinc/82/92/40/343829240.db2.gz YOHTXQIQXSEFFF-GZBOUJLJSA-N 1 0 224.304 -0.032 40 0 BBABRO O=C([C@@H]1CCCC[NH2+]1)N1C[C@H]2C[C@@H](C1)C2O ZINC000409433590 343829288 /nfs/dbraw/zinc/82/92/88/343829288.db2.gz YOHTXQIQXSEFFF-JDUUOCRZSA-N 1 0 224.304 -0.032 40 0 BBABRO C[NH2+]CC(=O)N1C[C@@H](C)[C@H](COC)C1 ZINC000409433617 343829700 /nfs/dbraw/zinc/82/97/00/343829700.db2.gz YRYIJBQOEZKUCW-BDAKNGLRSA-N 1 0 200.282 -0.053 40 0 BBABRO C[NH2+]CC(=O)N1C[C@H](C)[C@@H](COC)C1 ZINC000409433619 343829679 /nfs/dbraw/zinc/82/96/79/343829679.db2.gz YRYIJBQOEZKUCW-DTWKUNHWSA-N 1 0 200.282 -0.053 40 0 BBABRO C[NH2+]CC(=O)N1C[C@H](C)[C@H](COC)C1 ZINC000409433621 343829693 /nfs/dbraw/zinc/82/96/93/343829693.db2.gz YRYIJBQOEZKUCW-IUCAKERBSA-N 1 0 200.282 -0.053 40 0 BBABRO C[NH2+]CC(=O)N1C[C@H](COC)[C@H](C)C1 ZINC000409433622 343829619 /nfs/dbraw/zinc/82/96/19/343829619.db2.gz YRYIJBQOEZKUCW-RKDXNWHRSA-N 1 0 200.282 -0.053 40 0 BBABRO COCCN(C(=O)CC[NH3+])C1CCOCC1 ZINC000409433644 343829691 /nfs/dbraw/zinc/82/96/91/343829691.db2.gz NAWAHFWLUSSQPN-UHFFFAOYSA-N 1 0 230.308 -0.011 40 0 BBABRO NC(=[NH2+])N1CCN(C[C@H]2CCCO2)CC1 ZINC000409433703 343829684 /nfs/dbraw/zinc/82/96/84/343829684.db2.gz YXUXCNTWIPOPQM-SECBINFHSA-N 1 0 212.297 -0.324 40 0 BBABRO NC(=[NH2+])N1CCN(C[C@@H]2CCCO2)CC1 ZINC000409433705 343829741 /nfs/dbraw/zinc/82/97/41/343829741.db2.gz YXUXCNTWIPOPQM-VIFPVBQESA-N 1 0 212.297 -0.324 40 0 BBABRO [NH3+]CCC(=O)N1CC(O)(C(F)(F)F)C1 ZINC000409433734 343829644 /nfs/dbraw/zinc/82/96/44/343829644.db2.gz NHHVXXZMGIYUJR-UHFFFAOYSA-N 1 0 212.171 -0.529 40 0 BBABRO OCC[N@@H+]1CCC[C@@]2(C[C@H](O)CCO2)C1 ZINC000409433767 490243772 /nfs/dbraw/zinc/24/37/72/490243772.db2.gz NMALWPBIIAOONN-GHMZBOCLSA-N 1 0 215.293 -0.015 40 0 BBABRO OCC[N@@H+]1CCC[C@]2(C[C@H](O)CCO2)C1 ZINC000409433768 490243841 /nfs/dbraw/zinc/24/38/41/490243841.db2.gz NMALWPBIIAOONN-MNOVXSKESA-N 1 0 215.293 -0.015 40 0 BBABRO OCC[N@@H+]1CCC[C@]2(C[C@@H](O)CCO2)C1 ZINC000409433769 490243813 /nfs/dbraw/zinc/24/38/13/490243813.db2.gz NMALWPBIIAOONN-QWRGUYRKSA-N 1 0 215.293 -0.015 40 0 BBABRO OCC[N@@H+]1CCC[C@@]2(C[C@@H](O)CCO2)C1 ZINC000409433770 490243609 /nfs/dbraw/zinc/24/36/09/490243609.db2.gz NMALWPBIIAOONN-WDEREUQCSA-N 1 0 215.293 -0.015 40 0 BBABRO C[C@@H]1Cn2nc(CO)cc2CN1CC(=[NH2+])NO ZINC000409433882 398086354 /nfs/dbraw/zinc/08/63/54/398086354.db2.gz NQJSFAGYBUBGST-SSDOTTSWSA-N 1 0 239.279 -0.464 40 0 BBABRO C[C@H]1Cn2nc(CO)cc2CN1CC(=[NH2+])NO ZINC000409433887 383830423 /nfs/dbraw/zinc/83/04/23/383830423.db2.gz NQJSFAGYBUBGST-ZETCQYMHSA-N 1 0 239.279 -0.464 40 0 BBABRO NC(=[NH2+])N1CCC2(CC1)C[C@H](O)CCO2 ZINC000409434104 383829357 /nfs/dbraw/zinc/82/93/57/383829357.db2.gz ZYXLFLKDQHFBMV-MRVPVSSYSA-N 1 0 213.281 -0.114 40 0 BBABRO NC(=[NH2+])N1CCC2(CC1)C[C@@H](O)CCO2 ZINC000409434105 383828541 /nfs/dbraw/zinc/82/85/41/383828541.db2.gz ZYXLFLKDQHFBMV-QMMMGPOBSA-N 1 0 213.281 -0.114 40 0 BBABRO C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000409434142 383828553 /nfs/dbraw/zinc/82/85/53/383828553.db2.gz OHJVNOPUMXDNHY-ATZCPNFKSA-N 1 0 212.293 -0.045 40 0 BBABRO C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2(CO)C1 ZINC000409434143 383830524 /nfs/dbraw/zinc/83/05/24/383830524.db2.gz OHJVNOPUMXDNHY-IQJOONFLSA-N 1 0 212.293 -0.045 40 0 BBABRO C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2(CO)C1 ZINC000409434144 383829205 /nfs/dbraw/zinc/82/92/05/383829205.db2.gz OHJVNOPUMXDNHY-NGZCFLSTSA-N 1 0 212.293 -0.045 40 0 BBABRO C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2(CO)C1 ZINC000409434145 383830157 /nfs/dbraw/zinc/83/01/57/383830157.db2.gz OHJVNOPUMXDNHY-QXEWZRGKSA-N 1 0 212.293 -0.045 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1C[C@@H](CO)C2(CCC2)C1 ZINC000409434162 383830473 /nfs/dbraw/zinc/83/04/73/383830473.db2.gz OIXIWCBCGFHMCB-BDAKNGLRSA-N 1 0 212.293 -0.045 40 0 BBABRO C[C@H]([NH3+])C(=O)N1C[C@H](CO)C2(CCC2)C1 ZINC000409434163 383829463 /nfs/dbraw/zinc/82/94/63/383829463.db2.gz OIXIWCBCGFHMCB-DTWKUNHWSA-N 1 0 212.293 -0.045 40 0 BBABRO C[C@H]([NH3+])C(=O)N1C[C@@H](CO)C2(CCC2)C1 ZINC000409434164 383829151 /nfs/dbraw/zinc/82/91/51/383829151.db2.gz OIXIWCBCGFHMCB-IUCAKERBSA-N 1 0 212.293 -0.045 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1C[C@H](CO)C2(CCC2)C1 ZINC000409434165 383830077 /nfs/dbraw/zinc/83/00/77/383830077.db2.gz OIXIWCBCGFHMCB-RKDXNWHRSA-N 1 0 212.293 -0.045 40 0 BBABRO O=C(C1C[NH2+]C1)N1CC[C@]2(C1)C[C@@H](O)CCO2 ZINC000409434170 383829271 /nfs/dbraw/zinc/82/92/71/383829271.db2.gz OJCRKFWIJGPTPI-CMPLNLGQSA-N 1 0 240.303 -0.652 40 0 BBABRO O=C(C1C[NH2+]C1)N1CC[C@@]2(C1)C[C@@H](O)CCO2 ZINC000409434171 383829708 /nfs/dbraw/zinc/82/97/08/383829708.db2.gz OJCRKFWIJGPTPI-JQWIXIFHSA-N 1 0 240.303 -0.652 40 0 BBABRO O=C(C1C[NH2+]C1)N1CC[C@@]2(C1)C[C@H](O)CCO2 ZINC000409434172 383828891 /nfs/dbraw/zinc/82/88/91/383828891.db2.gz OJCRKFWIJGPTPI-PWSUYJOCSA-N 1 0 240.303 -0.652 40 0 BBABRO O=C(C1C[NH2+]C1)N1CC[C@]2(C1)C[C@H](O)CCO2 ZINC000409434173 383829398 /nfs/dbraw/zinc/82/93/98/383829398.db2.gz OJCRKFWIJGPTPI-ZYHUDNBSSA-N 1 0 240.303 -0.652 40 0 BBABRO C[NH2+]CC(=O)N1CC(F)(F)C[C@H]1CO ZINC000409434355 343831518 /nfs/dbraw/zinc/83/15/18/343831518.db2.gz OTVQLLPDIWSODS-LURJTMIESA-N 1 0 208.208 -0.566 40 0 BBABRO C[NH2+]CC(=O)N1CC(F)(F)C[C@@H]1CO ZINC000409434357 343831529 /nfs/dbraw/zinc/83/15/29/343831529.db2.gz OTVQLLPDIWSODS-ZCFIWIBFSA-N 1 0 208.208 -0.566 40 0 BBABRO NC(=[NH2+])N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000409434386 343831588 /nfs/dbraw/zinc/83/15/88/343831588.db2.gz OZPHHJLTNCBENR-CRCLSJGQSA-N 1 0 211.187 -0.018 40 0 BBABRO NC(=[NH2+])N1C[C@H](CO)[C@H](C(F)(F)F)C1 ZINC000409434387 343831637 /nfs/dbraw/zinc/83/16/37/343831637.db2.gz OZPHHJLTNCBENR-RFZPGFLSSA-N 1 0 211.187 -0.018 40 0 BBABRO NC(=[NH2+])N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC000409434388 343831539 /nfs/dbraw/zinc/83/15/39/343831539.db2.gz OZPHHJLTNCBENR-UHNVWZDZSA-N 1 0 211.187 -0.018 40 0 BBABRO NC(=[NH2+])N1C[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000409434389 343831631 /nfs/dbraw/zinc/83/16/31/343831631.db2.gz OZPHHJLTNCBENR-WHFBIAKZSA-N 1 0 211.187 -0.018 40 0 BBABRO [NH2+]=C(CN1CC[C@]2(C1)C[C@H](O)CCO2)NO ZINC000409434399 343831486 /nfs/dbraw/zinc/83/14/86/343831486.db2.gz PAGWCDVKQRYVNB-PSASIEDQSA-N 1 0 229.280 -0.442 40 0 BBABRO [NH2+]=C(CN1CC[C@@]2(C1)C[C@H](O)CCO2)NO ZINC000409434400 343831563 /nfs/dbraw/zinc/83/15/63/343831563.db2.gz PAGWCDVKQRYVNB-SCZZXKLOSA-N 1 0 229.280 -0.442 40 0 BBABRO [NH2+]=C(CN1CC[C@]2(C1)C[C@@H](O)CCO2)NO ZINC000409434401 343831602 /nfs/dbraw/zinc/83/16/02/343831602.db2.gz PAGWCDVKQRYVNB-WCBMZHEXSA-N 1 0 229.280 -0.442 40 0 BBABRO [NH2+]=C(CN1CC[C@@]2(C1)C[C@@H](O)CCO2)NO ZINC000409434402 343831567 /nfs/dbraw/zinc/83/15/67/343831567.db2.gz PAGWCDVKQRYVNB-WPRPVWTQSA-N 1 0 229.280 -0.442 40 0 BBABRO [NH3+]CC(=O)N1C[C@H](CO)C2(CCCC2)C1 ZINC000409434476 343831647 /nfs/dbraw/zinc/83/16/47/343831647.db2.gz PKJBNLCQOSHCRA-SECBINFHSA-N 1 0 212.293 -0.044 40 0 BBABRO [NH3+]CC(=O)N1C[C@@H](CO)C2(CCCC2)C1 ZINC000409434478 343831659 /nfs/dbraw/zinc/83/16/59/343831659.db2.gz PKJBNLCQOSHCRA-VIFPVBQESA-N 1 0 212.293 -0.044 40 0 BBABRO C[C@@H]1Cn2nc(CO)cc2CN1CC[NH3+] ZINC000409434642 343834499 /nfs/dbraw/zinc/83/44/99/343834499.db2.gz PYHUQZAOQQSHFQ-MRVPVSSYSA-N 1 0 210.281 -0.462 40 0 BBABRO C[C@H]1Cn2nc(CO)cc2CN1CC[NH3+] ZINC000409434644 343834298 /nfs/dbraw/zinc/83/42/98/343834298.db2.gz PYHUQZAOQQSHFQ-QMMMGPOBSA-N 1 0 210.281 -0.462 40 0 BBABRO [NH2+]=C(CN1CCC[C@@]2(C[C@@H](O)CCO2)C1)NO ZINC000409434659 343834829 /nfs/dbraw/zinc/83/48/29/343834829.db2.gz QAHQZNZOUXFWJR-GXSJLCMTSA-N 1 0 243.307 -0.052 40 0 BBABRO [NH2+]=C(CN1CCC[C@]2(C[C@H](O)CCO2)C1)NO ZINC000409434660 343834700 /nfs/dbraw/zinc/83/47/00/343834700.db2.gz QAHQZNZOUXFWJR-KOLCDFICSA-N 1 0 243.307 -0.052 40 0 BBABRO [NH2+]=C(CN1CCC[C@@]2(C[C@H](O)CCO2)C1)NO ZINC000409434661 343834677 /nfs/dbraw/zinc/83/46/77/343834677.db2.gz QAHQZNZOUXFWJR-MWLCHTKSSA-N 1 0 243.307 -0.052 40 0 BBABRO [NH2+]=C(CN1CCC[C@]2(C[C@@H](O)CCO2)C1)NO ZINC000409434662 343834664 /nfs/dbraw/zinc/83/46/64/343834664.db2.gz QAHQZNZOUXFWJR-ONGXEEELSA-N 1 0 243.307 -0.052 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@H](C)[NH3+])C[C@H]1OC ZINC000409434678 343835087 /nfs/dbraw/zinc/83/50/87/343835087.db2.gz QCXPVAHCOLXYOI-DJLDLDEBSA-N 1 0 216.281 -0.404 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@@H]1OC ZINC000409434679 343835120 /nfs/dbraw/zinc/83/51/20/343835120.db2.gz QCXPVAHCOLXYOI-HRDYMLBCSA-N 1 0 216.281 -0.404 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@H]1OC ZINC000409434680 343835115 /nfs/dbraw/zinc/83/51/15/343835115.db2.gz QCXPVAHCOLXYOI-IWSPIJDZSA-N 1 0 216.281 -0.404 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@H](C)[NH3+])C[C@@H]1OC ZINC000409434681 343834956 /nfs/dbraw/zinc/83/49/56/343834956.db2.gz QCXPVAHCOLXYOI-XHNCKOQMSA-N 1 0 216.281 -0.404 40 0 BBABRO [NH3+]CCC(=O)N1CC[C@]2(C1)C[C@@H](O)CCO2 ZINC000409434725 343834672 /nfs/dbraw/zinc/83/46/72/343834672.db2.gz QIYFXMAOSPGDJT-GXSJLCMTSA-N 1 0 228.292 -0.522 40 0 BBABRO [NH3+]CCC(=O)N1CC[C@@]2(C1)C[C@H](O)CCO2 ZINC000409434726 343835128 /nfs/dbraw/zinc/83/51/28/343835128.db2.gz QIYFXMAOSPGDJT-KOLCDFICSA-N 1 0 228.292 -0.522 40 0 BBABRO [NH3+]CCC(=O)N1CC[C@]2(C1)C[C@H](O)CCO2 ZINC000409434727 343834842 /nfs/dbraw/zinc/83/48/42/343834842.db2.gz QIYFXMAOSPGDJT-MWLCHTKSSA-N 1 0 228.292 -0.522 40 0 BBABRO [NH3+]CCC(=O)N1CC[C@@]2(C1)C[C@@H](O)CCO2 ZINC000409434728 343834645 /nfs/dbraw/zinc/83/46/45/343834645.db2.gz QIYFXMAOSPGDJT-ONGXEEELSA-N 1 0 228.292 -0.522 40 0 BBABRO CCO[C@@H]1CN(C(=O)C2C[NH2+]C2)C[C@H]1OC ZINC000409434792 383839637 /nfs/dbraw/zinc/83/96/37/383839637.db2.gz QPTNPAXSBNQRQU-NXEZZACHSA-N 1 0 228.292 -0.532 40 0 BBABRO CCO[C@H]1CN(C(=O)C2C[NH2+]C2)C[C@@H]1OC ZINC000409434793 383839488 /nfs/dbraw/zinc/83/94/88/383839488.db2.gz QPTNPAXSBNQRQU-UWVGGRQHSA-N 1 0 228.292 -0.532 40 0 BBABRO CCO[C@@H]1CN(C(=O)C2C[NH2+]C2)C[C@@H]1OC ZINC000409434794 383840258 /nfs/dbraw/zinc/84/02/58/383840258.db2.gz QPTNPAXSBNQRQU-VHSXEESVSA-N 1 0 228.292 -0.532 40 0 BBABRO CCO[C@H]1CN(C(=O)C2C[NH2+]C2)C[C@H]1OC ZINC000409434795 383840060 /nfs/dbraw/zinc/84/00/60/383840060.db2.gz QPTNPAXSBNQRQU-ZJUUUORDSA-N 1 0 228.292 -0.532 40 0 BBABRO C[NH2+]CC(=O)N1CC(OC)(C(F)(F)F)C1 ZINC000409434943 383842673 /nfs/dbraw/zinc/84/26/73/383842673.db2.gz RKPWXXYALWIKAR-UHFFFAOYSA-N 1 0 226.198 -0.005 40 0 BBABRO CC[C@@H]1CN(C(=O)C2C[NH2+]C2)CC[C@H]1O ZINC000409434958 343835334 /nfs/dbraw/zinc/83/53/34/343835334.db2.gz RMDZASKVSHTFRM-PSASIEDQSA-N 1 0 212.293 -0.175 40 0 BBABRO CC[C@@H]1CN(C(=O)C2C[NH2+]C2)CC[C@@H]1O ZINC000409434959 343835756 /nfs/dbraw/zinc/83/57/56/343835756.db2.gz RMDZASKVSHTFRM-SCZZXKLOSA-N 1 0 212.293 -0.175 40 0 BBABRO CC[C@H]1CN(C(=O)C2C[NH2+]C2)CC[C@H]1O ZINC000409434960 343835677 /nfs/dbraw/zinc/83/56/77/343835677.db2.gz RMDZASKVSHTFRM-WCBMZHEXSA-N 1 0 212.293 -0.175 40 0 BBABRO CC[C@H]1CN(C(=O)C2C[NH2+]C2)CC[C@@H]1O ZINC000409434961 343835658 /nfs/dbraw/zinc/83/56/58/343835658.db2.gz RMDZASKVSHTFRM-WPRPVWTQSA-N 1 0 212.293 -0.175 40 0 BBABRO [NH3+]CC(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000409435015 343835346 /nfs/dbraw/zinc/83/53/46/343835346.db2.gz RZFMTXFPGFOCGQ-NTSWFWBYSA-N 1 0 226.198 -0.426 40 0 BBABRO [NH3+]CC(=O)N1C[C@H](CO)[C@H](C(F)(F)F)C1 ZINC000409435016 343835750 /nfs/dbraw/zinc/83/57/50/343835750.db2.gz RZFMTXFPGFOCGQ-PHDIDXHHSA-N 1 0 226.198 -0.426 40 0 BBABRO [NH3+]CC(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC000409435017 343835505 /nfs/dbraw/zinc/83/55/05/343835505.db2.gz RZFMTXFPGFOCGQ-RITPCOANSA-N 1 0 226.198 -0.426 40 0 BBABRO [NH3+]CC(=O)N1C[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000409435018 343835497 /nfs/dbraw/zinc/83/54/97/343835497.db2.gz RZFMTXFPGFOCGQ-WDSKDSINSA-N 1 0 226.198 -0.426 40 0 BBABRO COC1(C(F)(F)F)CN(C(=O)C[NH3+])C1 ZINC000409435024 343835713 /nfs/dbraw/zinc/83/57/13/343835713.db2.gz SAVSBWVUFATBFU-UHFFFAOYSA-N 1 0 212.171 -0.265 40 0 BBABRO [NH2+]=C(CN1CC[C@@H](O)[C@H](CCF)C1)NO ZINC000409435066 350479058 /nfs/dbraw/zinc/47/90/58/350479058.db2.gz SDHDLIVWAAXEID-HTQZYQBOSA-N 1 0 219.260 -0.015 40 0 BBABRO [NH2+]=C(CN1CC[C@@H](O)[C@@H](CCF)C1)NO ZINC000409435067 343836222 /nfs/dbraw/zinc/83/62/22/343836222.db2.gz SDHDLIVWAAXEID-JGVFFNPUSA-N 1 0 219.260 -0.015 40 0 BBABRO [NH2+]=C(CN1CC[C@H](O)[C@H](CCF)C1)NO ZINC000409435068 343836277 /nfs/dbraw/zinc/83/62/77/343836277.db2.gz SDHDLIVWAAXEID-SFYZADRCSA-N 1 0 219.260 -0.015 40 0 BBABRO [NH2+]=C(CN1CC[C@H](O)[C@@H](CCF)C1)NO ZINC000409435069 343836260 /nfs/dbraw/zinc/83/62/60/343836260.db2.gz SDHDLIVWAAXEID-YUMQZZPRSA-N 1 0 219.260 -0.015 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@H]1O ZINC000409435097 343836068 /nfs/dbraw/zinc/83/60/68/343836068.db2.gz SHXKMAWYGAWTDF-IVZWLZJFSA-N 1 0 228.292 -0.653 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)C[C@@H]1O ZINC000409435098 343836201 /nfs/dbraw/zinc/83/62/01/343836201.db2.gz SHXKMAWYGAWTDF-KXUCPTDWSA-N 1 0 228.292 -0.653 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1O ZINC000409435099 343835987 /nfs/dbraw/zinc/83/59/87/343835987.db2.gz SHXKMAWYGAWTDF-LPEHRKFASA-N 1 0 228.292 -0.653 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)C[C@H]1O ZINC000409435100 343836208 /nfs/dbraw/zinc/83/62/08/343836208.db2.gz SHXKMAWYGAWTDF-OPRDCNLKSA-N 1 0 228.292 -0.653 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CC(F)(F)C[C@@H]1CO ZINC000409435114 343836384 /nfs/dbraw/zinc/83/63/84/343836384.db2.gz SKPSHRODKREJTE-NTSWFWBYSA-N 1 0 208.208 -0.438 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1CC(F)(F)C[C@@H]1CO ZINC000409435115 343836118 /nfs/dbraw/zinc/83/61/18/343836118.db2.gz SKPSHRODKREJTE-PHDIDXHHSA-N 1 0 208.208 -0.438 40 0 BBABRO C[C@@H]([NH3+])C(=O)N1CC(F)(F)C[C@H]1CO ZINC000409435116 343836095 /nfs/dbraw/zinc/83/60/95/343836095.db2.gz SKPSHRODKREJTE-RITPCOANSA-N 1 0 208.208 -0.438 40 0 BBABRO C[C@H]([NH3+])C(=O)N1CC(F)(F)C[C@H]1CO ZINC000409435117 350479093 /nfs/dbraw/zinc/47/90/93/350479093.db2.gz SKPSHRODKREJTE-WDSKDSINSA-N 1 0 208.208 -0.438 40 0 BBABRO CO[C@H]1CN(CC(=[NH2+])NO)C[C@H]1n1cccn1 ZINC000409435145 343836227 /nfs/dbraw/zinc/83/62/27/343836227.db2.gz SQDVYVUNMHJHGI-BDAKNGLRSA-N 1 0 239.279 -0.289 40 0 BBABRO CO[C@@H]1CN(CC(=[NH2+])NO)C[C@@H]1n1cccn1 ZINC000409435146 343836127 /nfs/dbraw/zinc/83/61/27/343836127.db2.gz SQDVYVUNMHJHGI-DTWKUNHWSA-N 1 0 239.279 -0.289 40 0 BBABRO CO[C@H]1CN(CC(=[NH2+])NO)C[C@@H]1n1cccn1 ZINC000409435147 343836112 /nfs/dbraw/zinc/83/61/12/343836112.db2.gz SQDVYVUNMHJHGI-IUCAKERBSA-N 1 0 239.279 -0.289 40 0 BBABRO CO[C@@H]1CN(CC(=[NH2+])NO)C[C@H]1n1cccn1 ZINC000409435148 343835960 /nfs/dbraw/zinc/83/59/60/343835960.db2.gz SQDVYVUNMHJHGI-RKDXNWHRSA-N 1 0 239.279 -0.289 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@@H]1OCC ZINC000409435191 343832744 /nfs/dbraw/zinc/83/27/44/343832744.db2.gz SUZLFXWAYLJYBA-BBBLOLIVSA-N 1 0 230.308 -0.014 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@H](C)[NH3+])C[C@H]1OCC ZINC000409435192 343832809 /nfs/dbraw/zinc/83/28/09/343832809.db2.gz SUZLFXWAYLJYBA-IVZWLZJFSA-N 1 0 230.308 -0.014 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@H](C)[NH3+])C[C@@H]1OCC ZINC000409435193 343832680 /nfs/dbraw/zinc/83/26/80/343832680.db2.gz SUZLFXWAYLJYBA-LPEHRKFASA-N 1 0 230.308 -0.014 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@H]1OCC ZINC000409435194 343832648 /nfs/dbraw/zinc/83/26/48/343832648.db2.gz SUZLFXWAYLJYBA-OPRDCNLKSA-N 1 0 230.308 -0.014 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@H](C)[NH3+])C[C@H]1n1cccn1 ZINC000409435201 343832507 /nfs/dbraw/zinc/83/25/07/343832507.db2.gz SXCHCLPPWLPTLQ-IVZWLZJFSA-N 1 0 238.291 -0.371 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@@H]1n1cccn1 ZINC000409435202 343832795 /nfs/dbraw/zinc/83/27/95/343832795.db2.gz SXCHCLPPWLPTLQ-KXUCPTDWSA-N 1 0 238.291 -0.371 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@H](C)[NH3+])C[C@@H]1n1cccn1 ZINC000409435203 343832597 /nfs/dbraw/zinc/83/25/97/343832597.db2.gz SXCHCLPPWLPTLQ-LPEHRKFASA-N 1 0 238.291 -0.371 40 0 BBABRO CO[C@@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@H]1n1cccn1 ZINC000409435204 343832673 /nfs/dbraw/zinc/83/26/73/343832673.db2.gz SXCHCLPPWLPTLQ-OPRDCNLKSA-N 1 0 238.291 -0.371 40 0 BBABRO [NH3+]CC(=O)N1CC[C@@H](O)[C@H](CCF)C1 ZINC000409435262 383835306 /nfs/dbraw/zinc/83/53/06/383835306.db2.gz UAEQJXBEJKAQCG-HTQZYQBOSA-N 1 0 204.245 -0.486 40 0 BBABRO [NH3+]CC(=O)N1CC[C@@H](O)[C@@H](CCF)C1 ZINC000409435263 383836764 /nfs/dbraw/zinc/83/67/64/383836764.db2.gz UAEQJXBEJKAQCG-JGVFFNPUSA-N 1 0 204.245 -0.486 40 0 BBABRO [NH3+]CC(=O)N1CC[C@H](O)[C@H](CCF)C1 ZINC000409435264 383836464 /nfs/dbraw/zinc/83/64/64/383836464.db2.gz UAEQJXBEJKAQCG-SFYZADRCSA-N 1 0 204.245 -0.486 40 0 BBABRO [NH3+]CC(=O)N1CC[C@H](O)[C@@H](CCF)C1 ZINC000409435265 383834919 /nfs/dbraw/zinc/83/49/19/383834919.db2.gz UAEQJXBEJKAQCG-YUMQZZPRSA-N 1 0 204.245 -0.486 40 0 BBABRO C[NH2+]CC(=O)N1C[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000409435281 383837106 /nfs/dbraw/zinc/83/71/06/383837106.db2.gz UBKMFZWRQUROTI-BQBZGAKWSA-N 1 0 240.225 -0.165 40 0 BBABRO C[NH2+]CC(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000409435282 383835140 /nfs/dbraw/zinc/83/51/40/383835140.db2.gz UBKMFZWRQUROTI-NKWVEPMBSA-N 1 0 240.225 -0.165 40 0 BBABRO C[NH2+]CC(=O)N1C[C@H](CO)[C@H](C(F)(F)F)C1 ZINC000409435283 383836350 /nfs/dbraw/zinc/83/63/50/383836350.db2.gz UBKMFZWRQUROTI-RNFRBKRXSA-N 1 0 240.225 -0.165 40 0 BBABRO C[NH2+]CC(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC000409435284 383836657 /nfs/dbraw/zinc/83/66/57/383836657.db2.gz UBKMFZWRQUROTI-RQJHMYQMSA-N 1 0 240.225 -0.165 40 0 BBABRO CO[C@@H]1CN(C(N)=[NH2+])C[C@H]1n1cccn1 ZINC000409435372 343833071 /nfs/dbraw/zinc/83/30/71/343833071.db2.gz UHLYHHAHJPGPJN-HTQZYQBOSA-N 1 0 209.253 -0.352 40 0 BBABRO CO[C@@H]1CN(C(N)=[NH2+])C[C@@H]1n1cccn1 ZINC000409435373 343833074 /nfs/dbraw/zinc/83/30/74/343833074.db2.gz UHLYHHAHJPGPJN-JGVFFNPUSA-N 1 0 209.253 -0.352 40 0 BBABRO CO[C@H]1CN(C(N)=[NH2+])C[C@H]1n1cccn1 ZINC000409435374 343833247 /nfs/dbraw/zinc/83/32/47/343833247.db2.gz UHLYHHAHJPGPJN-SFYZADRCSA-N 1 0 209.253 -0.352 40 0 BBABRO CO[C@H]1CN(C(N)=[NH2+])C[C@@H]1n1cccn1 ZINC000409435375 343833088 /nfs/dbraw/zinc/83/30/88/343833088.db2.gz UHLYHHAHJPGPJN-YUMQZZPRSA-N 1 0 209.253 -0.352 40 0 BBABRO [NH3+]CCN1CCC[C@@]2(C[C@H](O)CCO2)C1 ZINC000409435424 343833321 /nfs/dbraw/zinc/83/33/21/343833321.db2.gz UPDONUTWNLBUMI-GHMZBOCLSA-N 1 0 214.309 -0.049 40 0 BBABRO [NH3+]CCN1CCC[C@]2(C[C@H](O)CCO2)C1 ZINC000409435425 343833135 /nfs/dbraw/zinc/83/31/35/343833135.db2.gz UPDONUTWNLBUMI-MNOVXSKESA-N 1 0 214.309 -0.049 40 0 BBABRO [NH3+]CCN1CCC[C@]2(C[C@@H](O)CCO2)C1 ZINC000409435426 343833265 /nfs/dbraw/zinc/83/32/65/343833265.db2.gz UPDONUTWNLBUMI-QWRGUYRKSA-N 1 0 214.309 -0.049 40 0 BBABRO [NH3+]CCN1CCC[C@@]2(C[C@@H](O)CCO2)C1 ZINC000409435427 343833331 /nfs/dbraw/zinc/83/33/31/343833331.db2.gz UPDONUTWNLBUMI-WDEREUQCSA-N 1 0 214.309 -0.049 40 0 BBABRO CO[C@@H]1C[N@H+](CCO)C[C@H]1n1cccn1 ZINC000409435478 343833727 /nfs/dbraw/zinc/83/37/27/343833727.db2.gz UXDYSQZIUDLCLW-NXEZZACHSA-N 1 0 211.265 -0.253 40 0 BBABRO CO[C@H]1C[N@H+](CCO)C[C@@H]1n1cccn1 ZINC000409435479 343833675 /nfs/dbraw/zinc/83/36/75/343833675.db2.gz UXDYSQZIUDLCLW-UWVGGRQHSA-N 1 0 211.265 -0.253 40 0 BBABRO CO[C@@H]1C[N@H+](CCO)C[C@@H]1n1cccn1 ZINC000409435480 343833722 /nfs/dbraw/zinc/83/37/22/343833722.db2.gz UXDYSQZIUDLCLW-VHSXEESVSA-N 1 0 211.265 -0.253 40 0 BBABRO CO[C@H]1C[N@H+](CCO)C[C@H]1n1cccn1 ZINC000409435481 343833909 /nfs/dbraw/zinc/83/39/09/343833909.db2.gz UXDYSQZIUDLCLW-ZJUUUORDSA-N 1 0 211.265 -0.253 40 0 BBABRO CCO[C@@H]1CN(C2CC[NH2+]CC2)C[C@H]1O ZINC000409435491 343833616 /nfs/dbraw/zinc/83/36/16/343833616.db2.gz UZNVNDGCFDQWIY-GHMZBOCLSA-N 1 0 214.309 -0.180 40 0 BBABRO CCO[C@H]1CN(C2CC[NH2+]CC2)C[C@H]1O ZINC000409435492 343833807 /nfs/dbraw/zinc/83/38/07/343833807.db2.gz UZNVNDGCFDQWIY-MNOVXSKESA-N 1 0 214.309 -0.180 40 0 BBABRO CCO[C@H]1CN(C2CC[NH2+]CC2)C[C@@H]1O ZINC000409435493 343833688 /nfs/dbraw/zinc/83/36/88/343833688.db2.gz UZNVNDGCFDQWIY-QWRGUYRKSA-N 1 0 214.309 -0.180 40 0 BBABRO CCO[C@@H]1CN(C2CC[NH2+]CC2)C[C@@H]1O ZINC000409435494 343833847 /nfs/dbraw/zinc/83/38/47/343833847.db2.gz UZNVNDGCFDQWIY-WDEREUQCSA-N 1 0 214.309 -0.180 40 0 BBABRO CCO[C@H]1CN(C(=O)CC[NH3+])C[C@H]1OC ZINC000409435525 343833761 /nfs/dbraw/zinc/83/37/61/343833761.db2.gz VHAXMYUHQFJFSX-BDAKNGLRSA-N 1 0 216.281 -0.403 40 0 BBABRO CCO[C@@H]1CN(C(=O)CC[NH3+])C[C@@H]1OC ZINC000409435526 343833917 /nfs/dbraw/zinc/83/39/17/343833917.db2.gz VHAXMYUHQFJFSX-DTWKUNHWSA-N 1 0 216.281 -0.403 40 0 BBABRO CCO[C@H]1CN(C(=O)CC[NH3+])C[C@@H]1OC ZINC000409435527 343833798 /nfs/dbraw/zinc/83/37/98/343833798.db2.gz VHAXMYUHQFJFSX-IUCAKERBSA-N 1 0 216.281 -0.403 40 0 BBABRO CCO[C@@H]1CN(C(=O)CC[NH3+])C[C@H]1OC ZINC000409435528 343833556 /nfs/dbraw/zinc/83/35/56/343833556.db2.gz VHAXMYUHQFJFSX-RKDXNWHRSA-N 1 0 216.281 -0.403 40 0 BBABRO CO[C@@H]1CN(C2CC[NH2+]CC2)C[C@@H]1O ZINC000409435537 343833834 /nfs/dbraw/zinc/83/38/34/343833834.db2.gz VIULZCSGEYZBMB-VHSXEESVSA-N 1 0 200.282 -0.570 40 0 BBABRO CO[C@H]1CN(C2CC[NH2+]CC2)C[C@H]1O ZINC000409435538 343833643 /nfs/dbraw/zinc/83/36/43/343833643.db2.gz VIULZCSGEYZBMB-ZJUUUORDSA-N 1 0 200.282 -0.570 40 0 BBABRO O=C(C1C[NH2+]C1)N1CC(F)(F)C[C@@H]1CO ZINC000409435548 343834350 /nfs/dbraw/zinc/83/43/50/343834350.db2.gz VJLJYSYFHDHHFD-SSDOTTSWSA-N 1 0 220.219 -0.566 40 0 BBABRO O=C(C1C[NH2+]C1)N1CC(F)(F)C[C@H]1CO ZINC000409435549 343834439 /nfs/dbraw/zinc/83/44/39/343834439.db2.gz VJLJYSYFHDHHFD-ZETCQYMHSA-N 1 0 220.219 -0.566 40 0 BBABRO O=C(C1C[NH2+]C1)N1CC[C@@H](O)[C@H](CCF)C1 ZINC000409435603 343834177 /nfs/dbraw/zinc/83/41/77/343834177.db2.gz VRVDLRPJHAKSDQ-PSASIEDQSA-N 1 0 230.283 -0.225 40 0 BBABRO O=C(C1C[NH2+]C1)N1CC[C@H](O)[C@H](CCF)C1 ZINC000409435604 343834265 /nfs/dbraw/zinc/83/42/65/343834265.db2.gz VRVDLRPJHAKSDQ-SCZZXKLOSA-N 1 0 230.283 -0.225 40 0 BBABRO O=C(C1C[NH2+]C1)N1CC[C@@H](O)[C@@H](CCF)C1 ZINC000409435605 343834454 /nfs/dbraw/zinc/83/44/54/343834454.db2.gz VRVDLRPJHAKSDQ-WCBMZHEXSA-N 1 0 230.283 -0.225 40 0 BBABRO O=C(C1C[NH2+]C1)N1CC[C@H](O)[C@@H](CCF)C1 ZINC000409435606 350478782 /nfs/dbraw/zinc/47/87/82/350478782.db2.gz VRVDLRPJHAKSDQ-WPRPVWTQSA-N 1 0 230.283 -0.225 40 0 BBABRO [NH3+]CC(=O)N1CCn2c(Cl)cnc2C1 ZINC000409435647 350136519 /nfs/dbraw/zinc/13/65/19/350136519.db2.gz VZKBCXGXZBMZFU-UHFFFAOYSA-N 1 0 214.656 -0.163 40 0 BBABRO CCO[C@@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@H]1O ZINC000409435684 343833201 /nfs/dbraw/zinc/83/32/01/343833201.db2.gz WEAQTXNXMBPMOA-GHMZBOCLSA-N 1 0 242.319 -0.406 40 0 BBABRO CCO[C@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@H]1O ZINC000409435685 343833089 /nfs/dbraw/zinc/83/30/89/343833089.db2.gz WEAQTXNXMBPMOA-MNOVXSKESA-N 1 0 242.319 -0.406 40 0 BBABRO CCO[C@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@@H]1O ZINC000409435686 343833317 /nfs/dbraw/zinc/83/33/17/343833317.db2.gz WEAQTXNXMBPMOA-QWRGUYRKSA-N 1 0 242.319 -0.406 40 0 BBABRO CCO[C@@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@@H]1O ZINC000409435687 343833256 /nfs/dbraw/zinc/83/32/56/343833256.db2.gz WEAQTXNXMBPMOA-WDEREUQCSA-N 1 0 242.319 -0.406 40 0 BBABRO C[NH2+]CC(=O)N1C[C@@H](OC)[C@H](n2ccnc2)C1 ZINC000409435696 343839315 /nfs/dbraw/zinc/83/93/15/343839315.db2.gz WFBISVDWCKARBV-NXEZZACHSA-N 1 0 238.291 -0.499 40 0 BBABRO C[NH2+]CC(=O)N1C[C@H](OC)[C@@H](n2ccnc2)C1 ZINC000409435697 343839176 /nfs/dbraw/zinc/83/91/76/343839176.db2.gz WFBISVDWCKARBV-UWVGGRQHSA-N 1 0 238.291 -0.499 40 0 BBABRO C[NH2+]CC(=O)N1C[C@@H](OC)[C@@H](n2ccnc2)C1 ZINC000409435698 343839212 /nfs/dbraw/zinc/83/92/12/343839212.db2.gz WFBISVDWCKARBV-VHSXEESVSA-N 1 0 238.291 -0.499 40 0 BBABRO C[NH2+]CC(=O)N1C[C@@H](n2ccnc2)[C@@H](OC)C1 ZINC000409435699 343839336 /nfs/dbraw/zinc/83/93/36/343839336.db2.gz WFBISVDWCKARBV-ZJUUUORDSA-N 1 0 238.291 -0.499 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@@H]1O ZINC000409435709 343839303 /nfs/dbraw/zinc/83/93/03/343839303.db2.gz WGZZVGJJPAMZNE-GARJFASQSA-N 1 0 242.319 -0.263 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@H]1O ZINC000409435710 343839226 /nfs/dbraw/zinc/83/92/26/343839226.db2.gz WGZZVGJJPAMZNE-GMTAPVOTSA-N 1 0 242.319 -0.263 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@H]1O ZINC000409435711 343839253 /nfs/dbraw/zinc/83/92/53/343839253.db2.gz WGZZVGJJPAMZNE-HBNTYKKESA-N 1 0 242.319 -0.263 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@@H]1O ZINC000409435712 343839207 /nfs/dbraw/zinc/83/92/07/343839207.db2.gz WGZZVGJJPAMZNE-OUAUKWLOSA-N 1 0 242.319 -0.263 40 0 BBABRO [NH3+]CC(=O)N1CC[C@]2(C1)C[C@H](O)CCO2 ZINC000409435721 343839882 /nfs/dbraw/zinc/83/98/82/343839882.db2.gz WHKWXNSDMXLGMO-PSASIEDQSA-N 1 0 214.265 -0.913 40 0 BBABRO [NH3+]CC(=O)N1CC[C@@]2(C1)C[C@H](O)CCO2 ZINC000409435722 343839961 /nfs/dbraw/zinc/83/99/61/343839961.db2.gz WHKWXNSDMXLGMO-SCZZXKLOSA-N 1 0 214.265 -0.913 40 0 BBABRO [NH3+]CC(=O)N1CC[C@]2(C1)C[C@@H](O)CCO2 ZINC000409435723 343840198 /nfs/dbraw/zinc/84/01/98/343840198.db2.gz WHKWXNSDMXLGMO-WCBMZHEXSA-N 1 0 214.265 -0.913 40 0 BBABRO [NH3+]CC(=O)N1CC[C@@]2(C1)C[C@@H](O)CCO2 ZINC000409435724 343839852 /nfs/dbraw/zinc/83/98/52/343839852.db2.gz WHKWXNSDMXLGMO-WPRPVWTQSA-N 1 0 214.265 -0.913 40 0 BBABRO CCO[C@@H]1CN(C(=O)C2C[NH2+]C2)C[C@H]1OCC ZINC000409435727 343840037 /nfs/dbraw/zinc/84/00/37/343840037.db2.gz WIBQDCZCWBTOAC-GHMZBOCLSA-N 1 0 242.319 -0.142 40 0 BBABRO CCO[C@@H]1CN(C(=O)C2C[NH2+]C2)C[C@@H]1OCC ZINC000409435728 343839901 /nfs/dbraw/zinc/83/99/01/343839901.db2.gz WIBQDCZCWBTOAC-PHIMTYICSA-N 1 0 242.319 -0.142 40 0 BBABRO CCO[C@H]1CN(C(=O)C2C[NH2+]C2)C[C@@H]1OCC ZINC000409435729 343840348 /nfs/dbraw/zinc/84/03/48/343840348.db2.gz WIBQDCZCWBTOAC-QWRGUYRKSA-N 1 0 242.319 -0.142 40 0 BBABRO O=C(C1C[NH2+]C1)N1C[C@@H](CO)C2(CCC2)C1 ZINC000409435822 343839894 /nfs/dbraw/zinc/83/98/94/343839894.db2.gz WSCKDBVOZKVWQB-JTQLQIEISA-N 1 0 224.304 -0.173 40 0 BBABRO O=C(C1C[NH2+]C1)N1C[C@H](CO)C2(CCC2)C1 ZINC000409435823 343840267 /nfs/dbraw/zinc/84/02/67/343840267.db2.gz WSCKDBVOZKVWQB-SNVBAGLBSA-N 1 0 224.304 -0.173 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@H]1O ZINC000409435836 343839944 /nfs/dbraw/zinc/83/99/44/343839944.db2.gz WTURZSLQHJHFIL-IVZWLZJFSA-N 1 0 228.292 -0.796 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)C[C@@H]1O ZINC000409435837 343840040 /nfs/dbraw/zinc/84/00/40/343840040.db2.gz WTURZSLQHJHFIL-KXUCPTDWSA-N 1 0 228.292 -0.796 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@@H]1O ZINC000409435838 343840303 /nfs/dbraw/zinc/84/03/03/343840303.db2.gz WTURZSLQHJHFIL-LPEHRKFASA-N 1 0 228.292 -0.796 40 0 BBABRO CCO[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)C[C@H]1O ZINC000409435839 343839896 /nfs/dbraw/zinc/83/98/96/343839896.db2.gz WTURZSLQHJHFIL-OPRDCNLKSA-N 1 0 228.292 -0.796 40 0 BBABRO C[NH2+]CC(=O)N1Cc2cc(CO)nn2C[C@H]1C ZINC000409435914 343840827 /nfs/dbraw/zinc/84/08/27/343840827.db2.gz XHMNFPGBISTNJJ-MRVPVSSYSA-N 1 0 238.291 -0.675 40 0 BBABRO C[NH2+]CC(=O)N1Cc2cc(CO)nn2C[C@@H]1C ZINC000409435915 343840529 /nfs/dbraw/zinc/84/05/29/343840529.db2.gz XHMNFPGBISTNJJ-QMMMGPOBSA-N 1 0 238.291 -0.675 40 0 BBABRO C[NH2+]CC(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000409435926 343840815 /nfs/dbraw/zinc/84/08/15/343840815.db2.gz XJENKNSTIQDNGD-GXSJLCMTSA-N 1 0 212.293 -0.173 40 0 BBABRO C[NH2+]CC(=O)N1C[C@H]2CCC[C@@]2(CO)C1 ZINC000409435927 343840726 /nfs/dbraw/zinc/84/07/26/343840726.db2.gz XJENKNSTIQDNGD-KOLCDFICSA-N 1 0 212.293 -0.173 40 0 BBABRO C[NH2+]CC(=O)N1C[C@H]2CCC[C@]2(CO)C1 ZINC000409435928 343840835 /nfs/dbraw/zinc/84/08/35/343840835.db2.gz XJENKNSTIQDNGD-MWLCHTKSSA-N 1 0 212.293 -0.173 40 0 BBABRO C[NH2+]CC(=O)N1C[C@@H]2CCC[C@@]2(CO)C1 ZINC000409435929 343840543 /nfs/dbraw/zinc/84/05/43/343840543.db2.gz XJENKNSTIQDNGD-ONGXEEELSA-N 1 0 212.293 -0.173 40 0 BBABRO [NH3+]CC(=O)N1CC[C@@H](O)[C@H](CC2CC2)C1 ZINC000409436000 343836498 /nfs/dbraw/zinc/83/64/98/343836498.db2.gz XQMJZQPESQJUSV-NXEZZACHSA-N 1 0 212.293 -0.045 40 0 BBABRO [NH3+]CC(=O)N1CC[C@H](O)[C@@H](CC2CC2)C1 ZINC000409436001 343836929 /nfs/dbraw/zinc/83/69/29/343836929.db2.gz XQMJZQPESQJUSV-UWVGGRQHSA-N 1 0 212.293 -0.045 40 0 BBABRO [NH3+]CC(=O)N1CC[C@@H](O)[C@@H](CC2CC2)C1 ZINC000409436002 343836823 /nfs/dbraw/zinc/83/68/23/343836823.db2.gz XQMJZQPESQJUSV-VHSXEESVSA-N 1 0 212.293 -0.045 40 0 BBABRO [NH3+]CC(=O)N1CC[C@H](O)[C@H](CC2CC2)C1 ZINC000409436003 343836744 /nfs/dbraw/zinc/83/67/44/343836744.db2.gz XQMJZQPESQJUSV-ZJUUUORDSA-N 1 0 212.293 -0.045 40 0 BBABRO [NH3+]CC(=O)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC000409436023 343836691 /nfs/dbraw/zinc/83/66/91/343836691.db2.gz XRRFUAHKZACURE-SSDOTTSWSA-N 1 0 226.198 -0.282 40 0 BBABRO [NH3+]CC(=O)N1CC[C@](CO)(C(F)(F)F)C1 ZINC000409436024 343836709 /nfs/dbraw/zinc/83/67/09/343836709.db2.gz XRRFUAHKZACURE-ZETCQYMHSA-N 1 0 226.198 -0.282 40 0 BBABRO CO[C@H]1CN(C(=O)C[NH3+])C[C@H]1n1ccnc1 ZINC000409436085 343836656 /nfs/dbraw/zinc/83/66/56/343836656.db2.gz XZYRWAQXGDGXSA-BDAKNGLRSA-N 1 0 224.264 -0.760 40 0 BBABRO CO[C@@H]1CN(C(=O)C[NH3+])C[C@@H]1n1ccnc1 ZINC000409436086 343836714 /nfs/dbraw/zinc/83/67/14/343836714.db2.gz XZYRWAQXGDGXSA-DTWKUNHWSA-N 1 0 224.264 -0.760 40 0 BBABRO CO[C@H]1CN(C(=O)C[NH3+])C[C@@H]1n1ccnc1 ZINC000409436087 343837202 /nfs/dbraw/zinc/83/72/02/343837202.db2.gz XZYRWAQXGDGXSA-IUCAKERBSA-N 1 0 224.264 -0.760 40 0 BBABRO CO[C@@H]1CN(C(=O)C[NH3+])C[C@H]1n1ccnc1 ZINC000409436088 343837186 /nfs/dbraw/zinc/83/71/86/343837186.db2.gz XZYRWAQXGDGXSA-RKDXNWHRSA-N 1 0 224.264 -0.760 40 0 BBABRO O=C(C1C[NH2+]C1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000409436108 343837509 /nfs/dbraw/zinc/83/75/09/343837509.db2.gz YFAFKFGNWQVXFZ-CMPLNLGQSA-N 1 0 224.304 -0.173 40 0 BBABRO O=C(C1C[NH2+]C1)N1C[C@@H]2CCC[C@@]2(CO)C1 ZINC000409436109 343837472 /nfs/dbraw/zinc/83/74/72/343837472.db2.gz YFAFKFGNWQVXFZ-JQWIXIFHSA-N 1 0 224.304 -0.173 40 0 BBABRO O=C(C1C[NH2+]C1)N1C[C@H]2CCC[C@@]2(CO)C1 ZINC000409436110 343837420 /nfs/dbraw/zinc/83/74/20/343837420.db2.gz YFAFKFGNWQVXFZ-PWSUYJOCSA-N 1 0 224.304 -0.173 40 0 BBABRO O=C(C1C[NH2+]C1)N1C[C@H]2CCC[C@]2(CO)C1 ZINC000409436111 343837468 /nfs/dbraw/zinc/83/74/68/343837468.db2.gz YFAFKFGNWQVXFZ-ZYHUDNBSSA-N 1 0 224.304 -0.173 40 0 BBABRO [NH3+]CCC(=O)N1CC[C@H](O)[C@H](CCF)C1 ZINC000409436114 343837451 /nfs/dbraw/zinc/83/74/51/343837451.db2.gz YGHJIGLAIIQOFZ-BDAKNGLRSA-N 1 0 218.272 -0.096 40 0 BBABRO [NH3+]CCC(=O)N1CC[C@@H](O)[C@@H](CCF)C1 ZINC000409436115 343837236 /nfs/dbraw/zinc/83/72/36/343837236.db2.gz YGHJIGLAIIQOFZ-DTWKUNHWSA-N 1 0 218.272 -0.096 40 0 BBABRO [NH3+]CCC(=O)N1CC[C@H](O)[C@@H](CCF)C1 ZINC000409436116 343837526 /nfs/dbraw/zinc/83/75/26/343837526.db2.gz YGHJIGLAIIQOFZ-IUCAKERBSA-N 1 0 218.272 -0.096 40 0 BBABRO [NH3+]CCC(=O)N1CC[C@@H](O)[C@H](CCF)C1 ZINC000409436117 343837390 /nfs/dbraw/zinc/83/73/90/343837390.db2.gz YGHJIGLAIIQOFZ-RKDXNWHRSA-N 1 0 218.272 -0.096 40 0 BBABRO CCO[C@@H]1CN(C(=O)C[NH3+])C[C@H]1OC ZINC000409436118 343837618 /nfs/dbraw/zinc/83/76/18/343837618.db2.gz YGKATBNXJKQPCK-HTQZYQBOSA-N 1 0 202.254 -0.793 40 0 BBABRO CCO[C@@H]1CN(C(=O)C[NH3+])C[C@@H]1OC ZINC000409436119 343837445 /nfs/dbraw/zinc/83/74/45/343837445.db2.gz YGKATBNXJKQPCK-JGVFFNPUSA-N 1 0 202.254 -0.793 40 0 BBABRO CCO[C@H]1CN(C(=O)C[NH3+])C[C@H]1OC ZINC000409436120 343837607 /nfs/dbraw/zinc/83/76/07/343837607.db2.gz YGKATBNXJKQPCK-SFYZADRCSA-N 1 0 202.254 -0.793 40 0 BBABRO CCO[C@H]1CN(C(=O)C[NH3+])C[C@@H]1OC ZINC000409436121 343837339 /nfs/dbraw/zinc/83/73/39/343837339.db2.gz YGKATBNXJKQPCK-YUMQZZPRSA-N 1 0 202.254 -0.793 40 0 BBABRO CO[C@@H]1CN(C(=O)CC[NH3+])C[C@H]1n1ccnc1 ZINC000409436161 343837626 /nfs/dbraw/zinc/83/76/26/343837626.db2.gz YJODMBOMRNXDLY-NXEZZACHSA-N 1 0 238.291 -0.370 40 0 BBABRO CO[C@H]1CN(C(=O)CC[NH3+])C[C@H]1n1ccnc1 ZINC000409436164 343837975 /nfs/dbraw/zinc/83/79/75/343837975.db2.gz YJODMBOMRNXDLY-ZJUUUORDSA-N 1 0 238.291 -0.370 40 0 BBABRO O=C(C1C[NH2+]C1)N1CC(O)(C(F)(F)F)C1 ZINC000409436207 350478475 /nfs/dbraw/zinc/47/84/75/350478475.db2.gz YQKZASUVSMABPW-UHFFFAOYSA-N 1 0 224.182 -0.659 40 0 BBABRO O[C@H]1CN(C2CC[NH2+]CC2)C[C@H]1n1cccn1 ZINC000409436231 343837834 /nfs/dbraw/zinc/83/78/34/343837834.db2.gz YUGHGORSQHKKGZ-NEPJUHHUSA-N 1 0 236.319 -0.147 40 0 BBABRO O[C@@H]1CN(C2CC[NH2+]CC2)C[C@@H]1n1cccn1 ZINC000409436232 343838168 /nfs/dbraw/zinc/83/81/68/343838168.db2.gz YUGHGORSQHKKGZ-NWDGAFQWSA-N 1 0 236.319 -0.147 40 0 BBABRO O[C@H]1CN(C2CC[NH2+]CC2)C[C@@H]1n1cccn1 ZINC000409436233 350478487 /nfs/dbraw/zinc/47/84/87/350478487.db2.gz YUGHGORSQHKKGZ-RYUDHWBXSA-N 1 0 236.319 -0.147 40 0 BBABRO O[C@@H]1CN(C2CC[NH2+]CC2)C[C@H]1n1cccn1 ZINC000409436234 343838043 /nfs/dbraw/zinc/83/80/43/343838043.db2.gz YUGHGORSQHKKGZ-VXGBXAGGSA-N 1 0 236.319 -0.147 40 0 BBABRO CC[C@@H]1CN(C(=O)[C@H](C)[NH3+])CC[C@H]1O ZINC000409436265 343838059 /nfs/dbraw/zinc/83/80/59/343838059.db2.gz YXMIIMQWNHIVOE-DJLDLDEBSA-N 1 0 200.282 -0.047 40 0 BBABRO CC[C@@H]1CN(C(=O)[C@@H](C)[NH3+])CC[C@@H]1O ZINC000409436266 343838036 /nfs/dbraw/zinc/83/80/36/343838036.db2.gz YXMIIMQWNHIVOE-HLTSFMKQSA-N 1 0 200.282 -0.047 40 0 BBABRO CC[C@@H]1CN(C(=O)[C@@H](C)[NH3+])CC[C@H]1O ZINC000409436267 343837995 /nfs/dbraw/zinc/83/79/95/343837995.db2.gz YXMIIMQWNHIVOE-IWSPIJDZSA-N 1 0 200.282 -0.047 40 0 BBABRO CC[C@@H]1CN(C(=O)[C@H](C)[NH3+])CC[C@@H]1O ZINC000409436268 343838002 /nfs/dbraw/zinc/83/80/02/343838002.db2.gz YXMIIMQWNHIVOE-YIZRAAEISA-N 1 0 200.282 -0.047 40 0 BBABRO [NH2+]=C(CN1CC(O)(C(F)(F)F)C1)NO ZINC000409436269 350478527 /nfs/dbraw/zinc/47/85/27/350478527.db2.gz YXYMAARMDNXPNA-UHFFFAOYSA-N 1 0 213.159 -0.449 40 0 BBABRO C[NH2+]CC(=O)N1CC[C@H](O)[C@H](CCF)C1 ZINC000409436318 343838760 /nfs/dbraw/zinc/83/87/60/343838760.db2.gz ZFIYWXUPDPAPEZ-BDAKNGLRSA-N 1 0 218.272 -0.225 40 0 BBABRO C[NH2+]CC(=O)N1CC[C@@H](O)[C@@H](CCF)C1 ZINC000409436319 343838621 /nfs/dbraw/zinc/83/86/21/343838621.db2.gz ZFIYWXUPDPAPEZ-DTWKUNHWSA-N 1 0 218.272 -0.225 40 0 BBABRO C[NH2+]CC(=O)N1CC[C@H](O)[C@@H](CCF)C1 ZINC000409436320 343838460 /nfs/dbraw/zinc/83/84/60/343838460.db2.gz ZFIYWXUPDPAPEZ-IUCAKERBSA-N 1 0 218.272 -0.225 40 0 BBABRO C[NH2+]CC(=O)N1CC[C@@H](O)[C@H](CCF)C1 ZINC000409436321 343838698 /nfs/dbraw/zinc/83/86/98/343838698.db2.gz ZFIYWXUPDPAPEZ-RKDXNWHRSA-N 1 0 218.272 -0.225 40 0 BBABRO [NH3+]CCC(=O)N1CCC[C@@]2(C[C@@H](O)CCO2)C1 ZINC000409436328 343838743 /nfs/dbraw/zinc/83/87/43/343838743.db2.gz ZILVTPXMEMCDRG-CMPLNLGQSA-N 1 0 242.319 -0.132 40 0 BBABRO [NH3+]CCC(=O)N1CCC[C@]2(C[C@@H](O)CCO2)C1 ZINC000409436329 343838710 /nfs/dbraw/zinc/83/87/10/343838710.db2.gz ZILVTPXMEMCDRG-JQWIXIFHSA-N 1 0 242.319 -0.132 40 0 BBABRO [NH3+]CCC(=O)N1CCC[C@]2(C[C@H](O)CCO2)C1 ZINC000409436330 343838675 /nfs/dbraw/zinc/83/86/75/343838675.db2.gz ZILVTPXMEMCDRG-PWSUYJOCSA-N 1 0 242.319 -0.132 40 0 BBABRO [NH3+]CCC(=O)N1CCC[C@@]2(C[C@H](O)CCO2)C1 ZINC000409436331 343838543 /nfs/dbraw/zinc/83/85/43/343838543.db2.gz ZILVTPXMEMCDRG-ZYHUDNBSSA-N 1 0 242.319 -0.132 40 0 BBABRO OCC[N@@H+]1CC[C@]2(C1)C[C@H](O)CCO2 ZINC000409436345 343838656 /nfs/dbraw/zinc/83/86/56/343838656.db2.gz ZLWBVRORLRPVBI-NXEZZACHSA-N 1 0 201.266 -0.406 40 0 BBABRO OCC[N@@H+]1CC[C@@]2(C1)C[C@@H](O)CCO2 ZINC000409436346 343838557 /nfs/dbraw/zinc/83/85/57/343838557.db2.gz ZLWBVRORLRPVBI-UWVGGRQHSA-N 1 0 201.266 -0.406 40 0 BBABRO OCC[N@@H+]1CC[C@]2(C1)C[C@@H](O)CCO2 ZINC000409436347 343838625 /nfs/dbraw/zinc/83/86/25/343838625.db2.gz ZLWBVRORLRPVBI-VHSXEESVSA-N 1 0 201.266 -0.406 40 0 BBABRO OCC[N@@H+]1CC[C@@]2(C1)C[C@H](O)CCO2 ZINC000409436348 343838538 /nfs/dbraw/zinc/83/85/38/343838538.db2.gz ZLWBVRORLRPVBI-ZJUUUORDSA-N 1 0 201.266 -0.406 40 0 BBABRO O=C([C@@H]1CCC[NH2+]1)N1CC(O)(C(F)(F)F)C1 ZINC000409436365 343838497 /nfs/dbraw/zinc/83/84/97/343838497.db2.gz ZNONLQREOHQMHU-LURJTMIESA-N 1 0 238.209 -0.126 40 0 BBABRO O=C([C@H]1CCC[NH2+]1)N1CC(O)(C(F)(F)F)C1 ZINC000409436366 343838727 /nfs/dbraw/zinc/83/87/27/343838727.db2.gz ZNONLQREOHQMHU-ZCFIWIBFSA-N 1 0 238.209 -0.126 40 0 BBABRO C[C@H]1Cn2nc(CO)cc2CN1C(N)=[NH2+] ZINC000409436412 343839342 /nfs/dbraw/zinc/83/93/42/343839342.db2.gz ZQEYNUPRFSOUIT-LURJTMIESA-N 1 0 209.253 -0.527 40 0 BBABRO C[C@@H]1Cn2nc(CO)cc2CN1C(N)=[NH2+] ZINC000409436413 343839195 /nfs/dbraw/zinc/83/91/95/343839195.db2.gz ZQEYNUPRFSOUIT-ZCFIWIBFSA-N 1 0 209.253 -0.527 40 0 BBABRO C[NH2+]CC(=O)N1CCC[C@@]2(C[C@@H](O)CCO2)C1 ZINC000409436422 343837612 /nfs/dbraw/zinc/83/76/12/343837612.db2.gz ZRADLXURXQRXNZ-CMPLNLGQSA-N 1 0 242.319 -0.262 40 0 BBABRO C[NH2+]CC(=O)N1CCC[C@]2(C[C@@H](O)CCO2)C1 ZINC000409436423 343837415 /nfs/dbraw/zinc/83/74/15/343837415.db2.gz ZRADLXURXQRXNZ-JQWIXIFHSA-N 1 0 242.319 -0.262 40 0 BBABRO C[NH2+]CC(=O)N1CCC[C@]2(C[C@H](O)CCO2)C1 ZINC000409436424 343837195 /nfs/dbraw/zinc/83/71/95/343837195.db2.gz ZRADLXURXQRXNZ-PWSUYJOCSA-N 1 0 242.319 -0.262 40 0 BBABRO C[NH2+]CC(=O)N1CCC[C@@]2(C[C@H](O)CCO2)C1 ZINC000409436425 343837475 /nfs/dbraw/zinc/83/74/75/343837475.db2.gz ZRADLXURXQRXNZ-ZYHUDNBSSA-N 1 0 242.319 -0.262 40 0 BBABRO Nc1cc(-c2cnccn2)nn1CC[NH3+] ZINC000409436793 343841405 /nfs/dbraw/zinc/84/14/05/343841405.db2.gz AQLSHSSUKRHCIV-UHFFFAOYSA-N 1 0 204.237 -0.119 40 0 BBABRO Cn1c(=O)ccn(C2CC[NH2+]CC2)c1=O ZINC000409437569 343840759 /nfs/dbraw/zinc/84/07/59/343840759.db2.gz AEEDZGGWCQMAFI-UHFFFAOYSA-N 1 0 209.249 -0.529 40 0 BBABRO NC(=[NH2+])Cn1nc(-c2cnccn2)cc1N ZINC000409438387 343843833 /nfs/dbraw/zinc/84/38/33/343843833.db2.gz LFNHGYCOJYPRET-UHFFFAOYSA-N 1 0 217.236 -0.142 40 0 BBABRO Cn1c(=O)ccn(C[C@@H]2CC[NH2+]C2)c1=O ZINC000409438455 343844284 /nfs/dbraw/zinc/84/42/84/343844284.db2.gz CTARVKSUZJBYPE-MRVPVSSYSA-N 1 0 209.249 -0.844 40 0 BBABRO Cn1c(=O)ccn(C[C@H]2CC[NH2+]C2)c1=O ZINC000409438457 343844185 /nfs/dbraw/zinc/84/41/85/343844185.db2.gz CTARVKSUZJBYPE-QMMMGPOBSA-N 1 0 209.249 -0.844 40 0 BBABRO CN1C(=O)N(CC[NH3+])C(=O)C2(CC2)C1=O ZINC000409441831 343861116 /nfs/dbraw/zinc/86/11/16/343861116.db2.gz RLUQPJUVKOXDKT-UHFFFAOYSA-N 1 0 211.221 -0.854 40 0 BBABRO Cn1c(=O)ccn(CC2CC[NH2+]CC2)c1=O ZINC000409442172 350482110 /nfs/dbraw/zinc/48/21/10/350482110.db2.gz TYRQGIDKCORGEH-UHFFFAOYSA-N 1 0 223.276 -0.453 40 0 BBABRO CN1C(=O)N(C2C[NH2+]C2)C(=O)C2(CC2)C1=O ZINC000409442324 343857847 /nfs/dbraw/zinc/85/78/47/343857847.db2.gz URRDGDXPAHOZBD-UHFFFAOYSA-N 1 0 223.232 -0.841 40 0 BBABRO [NH3+]Cc1cncc(N2CCOCC2=O)c1 ZINC000409442453 343858460 /nfs/dbraw/zinc/85/84/60/343858460.db2.gz VHMZINZYBDIFPT-UHFFFAOYSA-N 1 0 207.233 -0.097 40 0 BBABRO Cn1c(=O)ccn([C@@H]2CCC[NH2+]C2)c1=O ZINC000409442647 343861183 /nfs/dbraw/zinc/86/11/83/343861183.db2.gz YTHZYGCMMNADMF-MRVPVSSYSA-N 1 0 209.249 -0.529 40 0 BBABRO Cn1c(=O)ccn([C@H]2CCC[NH2+]C2)c1=O ZINC000409442648 343861393 /nfs/dbraw/zinc/86/13/93/343861393.db2.gz YTHZYGCMMNADMF-QMMMGPOBSA-N 1 0 209.249 -0.529 40 0 BBABRO NC(=O)c1cc(C(F)(F)F)nn1CC[NH3+] ZINC000409442862 343864622 /nfs/dbraw/zinc/86/46/22/343864622.db2.gz CEZGSAPFJGLITF-UHFFFAOYSA-N 1 0 222.170 -0.041 40 0 BBABRO [NH3+]CCc1noc(-c2c[nH]c(=O)[nH]c2=O)n1 ZINC000409443216 343866074 /nfs/dbraw/zinc/86/60/74/343866074.db2.gz JDLRWZHGOGIPOH-UHFFFAOYSA-N 1 0 223.192 -0.561 40 0 BBABRO Cn1nc(C2CC[NH2+]CC2)cc1C(N)=O ZINC000409443398 350483631 /nfs/dbraw/zinc/48/36/31/350483631.db2.gz MDXLXABWLFLYHF-UHFFFAOYSA-N 1 0 208.265 -0.014 40 0 BBABRO Cn1cc(-c2noc(CC[NH3+])n2)c(=O)[nH]c1=O ZINC000409443732 343862902 /nfs/dbraw/zinc/86/29/02/343862902.db2.gz SODLPIYOGHMOIU-UHFFFAOYSA-N 1 0 237.219 -0.963 40 0 BBABRO Cn1cc(-c2nc(CC[NH3+])no2)c(=O)[nH]c1=O ZINC000409443803 343862824 /nfs/dbraw/zinc/86/28/24/343862824.db2.gz UNWLMGYYAGEFDF-UHFFFAOYSA-N 1 0 237.219 -0.963 40 0 BBABRO [NH3+]Cc1cc(-c2cnccn2)nn1CCO ZINC000409443887 343863511 /nfs/dbraw/zinc/86/35/11/343863511.db2.gz WBWLOJWZHDVECY-UHFFFAOYSA-N 1 0 219.248 -0.209 40 0 BBABRO Cn1nc([C@H]2CCC[NH2+]C2)cc1C(N)=O ZINC000409443939 582670960 /nfs/dbraw/zinc/67/09/60/582670960.db2.gz XBDKZJYRPRYHKD-ZETCQYMHSA-N 1 0 208.265 -0.014 40 0 BBABRO [NH3+]CCc1nc(-c2c[nH]c(=O)[nH]c2=O)no1 ZINC000409444032 343863767 /nfs/dbraw/zinc/86/37/67/343863767.db2.gz ZCETYFNYHIKEJM-UHFFFAOYSA-N 1 0 223.192 -0.561 40 0 BBABRO COC(=O)[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000498050952 533548621 /nfs/dbraw/zinc/54/86/21/533548621.db2.gz XGPOJQFMDFAMJY-QDEFQGGMSA-N 1 0 226.276 -0.209 40 0 BBABRO CC[NH+](CC)C[C@@H]1OC[C@H](NC(C)=O)[C@H]1O ZINC000514288406 384404661 /nfs/dbraw/zinc/40/46/61/384404661.db2.gz CWCGIXSGSYDDQR-GARJFASQSA-N 1 0 230.308 -0.407 40 0 biogenic,in-vitro BBABRO CC[NH+](CC)C[C@@H]1OC[C@@H](NC(C)=O)[C@H]1O ZINC000514288407 384404470 /nfs/dbraw/zinc/40/44/70/384404470.db2.gz CWCGIXSGSYDDQR-OUAUKWLOSA-N 1 0 230.308 -0.407 40 0 biogenic,in-vitro BBABRO CCCC[N@H+](C)C[C@@H]1OC[C@H](NC(C)=O)[C@H]1O ZINC000514288667 384403688 /nfs/dbraw/zinc/40/36/88/384403688.db2.gz KDKHOBOXMOKJEU-SDDRHHMPSA-N 1 0 244.335 -0.017 40 0 biogenic,in-vitro BBABRO O=S1(=O)N[C@@H]2C[NH2+]C[C@@H]2Oc2ccccc21 ZINC000514290362 384405836 /nfs/dbraw/zinc/40/58/36/384405836.db2.gz YQCSBNFEGUEBMX-APPZFPTMSA-N 1 0 240.284 -0.302 40 0 biogenic,in-vitro BBABRO Fc1ccc2c(c1)=C(CN1CC[NH2+]CC1)CN=2 ZINC000521395897 386719174 /nfs/dbraw/zinc/71/91/74/386719174.db2.gz SRFVJVRPWMFRQM-UHFFFAOYSA-N 1 0 233.290 -0.485 40 0 BBABRO CCn1ncc(N2CC[C@@H]([NH3+])C2)cc1=O ZINC000575415105 387023132 /nfs/dbraw/zinc/02/31/32/387023132.db2.gz CDZONIIGPSRFPD-MRVPVSSYSA-N 1 0 208.265 -0.199 40 0 BBABRO CCn1ncc(N2CC[C@H]([NH3+])C2)cc1=O ZINC000575415111 387023069 /nfs/dbraw/zinc/02/30/69/387023069.db2.gz CDZONIIGPSRFPD-QMMMGPOBSA-N 1 0 208.265 -0.199 40 0 BBABRO Cn1ncc(N2CCC[C@@H]([NH3+])C2)cc1=O ZINC000575415154 387021763 /nfs/dbraw/zinc/02/17/63/387021763.db2.gz NWZXNJRZVGCHRC-MRVPVSSYSA-N 1 0 208.265 -0.292 40 0 BBABRO Cn1ncc(N2CCC[C@H]([NH3+])C2)cc1=O ZINC000575415155 387020941 /nfs/dbraw/zinc/02/09/41/387020941.db2.gz NWZXNJRZVGCHRC-QMMMGPOBSA-N 1 0 208.265 -0.292 40 0 BBABRO Cn1ncc(N2CCC[NH2+]CC2)cc1=O ZINC000575415181 387023752 /nfs/dbraw/zinc/02/37/52/387023752.db2.gz RKGAWPTTWUVTDB-UHFFFAOYSA-N 1 0 208.265 -0.420 40 0 BBABRO CCn1ncc(N2CC[NH2+]CC2)cc1=O ZINC000575415184 387023665 /nfs/dbraw/zinc/02/36/65/387023665.db2.gz UEVVEKFZOJGSDV-UHFFFAOYSA-N 1 0 208.265 -0.327 40 0 BBABRO C[N@H+]1C[C@H]2CN(c3ccc(N)nn3)C[C@H]2C1 ZINC000575621879 411895298 /nfs/dbraw/zinc/89/52/98/411895298.db2.gz DGBVWINVJYBBKM-DTORHVGOSA-N 1 0 219.292 0.057 40 0 BBABRO C[NH+]1C[C@H]2CN(c3ccc(N)nn3)C[C@@H]2C1 ZINC000575621881 409998740 /nfs/dbraw/zinc/99/87/40/409998740.db2.gz DGBVWINVJYBBKM-IUCAKERBSA-N 1 0 219.292 0.057 40 0 BBABRO C[NH+]1C[C@@H]2CN(c3ccc(N)nn3)C[C@H]2C1 ZINC000575621882 409999206 /nfs/dbraw/zinc/99/92/06/409999206.db2.gz DGBVWINVJYBBKM-RKDXNWHRSA-N 1 0 219.292 0.057 40 0 BBABRO [NH3+]CCCn1nc(-n2ccnc2)ccc1=O ZINC000575621915 343870236 /nfs/dbraw/zinc/87/02/36/343870236.db2.gz ANDWKWBXECHFQS-UHFFFAOYSA-N 1 0 219.248 -0.222 40 0 BBABRO [NH3+]CCCn1nc(-n2cccn2)ccc1=O ZINC000575622128 343868935 /nfs/dbraw/zinc/86/89/35/343868935.db2.gz GLBRFKKZKNVXMZ-UHFFFAOYSA-N 1 0 219.248 -0.222 40 0 BBABRO COCCN1CCN(c2ccc(N)nn2)CC1 ZINC000575622317 411864158 /nfs/dbraw/zinc/86/41/58/411864158.db2.gz QQSMKJJRWXOIIH-UHFFFAOYSA-N 1 0 237.307 -0.173 40 0 BBABRO [NH3+]CCCn1nc(-n2cncn2)ccc1=O ZINC000575622683 343877741 /nfs/dbraw/zinc/87/77/41/343877741.db2.gz PUHVVOHFUHXQGI-UHFFFAOYSA-N 1 0 220.236 -0.827 40 0 BBABRO Cc1cnn(-c2ccc(=O)n(CC[NH3+])n2)c1 ZINC000575622750 343875229 /nfs/dbraw/zinc/87/52/29/343875229.db2.gz UJZUNVFVLIJPGZ-UHFFFAOYSA-N 1 0 219.248 -0.304 40 0 BBABRO C[C@H](CC[NH3+])n1nc(-n2cncn2)ccc1=O ZINC000575622865 343875303 /nfs/dbraw/zinc/87/53/03/343875303.db2.gz XDWNEGRWXOLYEA-MRVPVSSYSA-N 1 0 234.263 -0.266 40 0 BBABRO C[C@@H](CC[NH3+])n1nc(-n2cncn2)ccc1=O ZINC000575622869 343875258 /nfs/dbraw/zinc/87/52/58/343875258.db2.gz XDWNEGRWXOLYEA-QMMMGPOBSA-N 1 0 234.263 -0.266 40 0 BBABRO CC(C)(C)OC(=O)C[C@@H]([NH3+])C1(O)COC1 ZINC000584883983 369028882 /nfs/dbraw/zinc/02/88/82/369028882.db2.gz IFJWNKSGGWAKOS-SSDOTTSWSA-N 1 0 217.265 -0.193 40 0 BBABRO CC(C)(C)OC(=O)C[C@H]([NH3+])C1(O)COC1 ZINC000584883984 369028552 /nfs/dbraw/zinc/02/85/52/369028552.db2.gz IFJWNKSGGWAKOS-ZETCQYMHSA-N 1 0 217.265 -0.193 40 0 BBABRO Fc1cnc(N2CC[NH2+]CC2)n2cnnc12 ZINC000584904553 346641261 /nfs/dbraw/zinc/64/12/61/346641261.db2.gz IVNOYAZQLUMEOZ-UHFFFAOYSA-N 1 0 222.227 -0.327 40 0 BBABRO C[N@@H+]1C[C@@H](CO)CC12CN(c1ncccn1)C2 ZINC000585093844 344130185 /nfs/dbraw/zinc/13/01/85/344130185.db2.gz JLCLCNUCCKRKHZ-JTQLQIEISA-N 1 0 234.303 -0.021 40 0 BBABRO C[N@@H+]1C[C@H](CO)CC12CN(c1ncccn1)C2 ZINC000585093845 344130064 /nfs/dbraw/zinc/13/00/64/344130064.db2.gz JLCLCNUCCKRKHZ-SNVBAGLBSA-N 1 0 234.303 -0.021 40 0 BBABRO CNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1CC1CC1 ZINC000585109589 344135593 /nfs/dbraw/zinc/13/55/93/344135593.db2.gz XVYYAUNMFPQMGS-JTQLQIEISA-N 1 0 239.319 -0.815 40 0 BBABRO CNC(=O)[C@H]1COC2(C[NH2+]C2)CN1CC1CC1 ZINC000585109591 344135507 /nfs/dbraw/zinc/13/55/07/344135507.db2.gz XVYYAUNMFPQMGS-SNVBAGLBSA-N 1 0 239.319 -0.815 40 0 BBABRO CS(=O)(=O)NC[C@H]1C[NH2+]Cc2ccnn21 ZINC000585112617 344137070 /nfs/dbraw/zinc/13/70/70/344137070.db2.gz SDNNHQAYECIURF-MRVPVSSYSA-N 1 0 230.293 -0.923 40 0 BBABRO CS(=O)(=O)NC[C@@H]1C[NH2+]Cc2ccnn21 ZINC000585112618 344137087 /nfs/dbraw/zinc/13/70/87/344137087.db2.gz SDNNHQAYECIURF-QMMMGPOBSA-N 1 0 230.293 -0.923 40 0 BBABRO CN(C)C(=O)Cn1cc(CCC[NH3+])cn1 ZINC000585142753 344176429 /nfs/dbraw/zinc/17/64/29/344176429.db2.gz DJTOVEWQIFMREF-UHFFFAOYSA-N 1 0 210.281 -0.137 40 0 BBABRO CC(C)C(=O)N[C@H]1CC[NH2+]CC[C@@H]1O ZINC000585262807 344377846 /nfs/dbraw/zinc/37/78/46/344377846.db2.gz HOICYMSIPGRBIZ-IUCAKERBSA-N 1 0 200.282 -0.129 40 0 BBABRO CN1C(=O)CCC[C@H]2[NH2+]C[C@H](O)[C@H](O)C[C@@]21C ZINC000585263216 344379660 /nfs/dbraw/zinc/37/96/60/344379660.db2.gz NVQGEJYOQONWTN-KLBPJQLPSA-N 1 0 242.319 -0.529 40 0 BBABRO C[NH2+][C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000585263550 344379432 /nfs/dbraw/zinc/37/94/32/344379432.db2.gz GHKHLSXFBGEQRI-GMTAPVOTSA-N 1 0 214.309 -0.180 40 0 BBABRO C[C@@]1(O)CC[NH2+]C[C@H]1n1cnc2c1ncnc2N ZINC000585263556 344379673 /nfs/dbraw/zinc/37/96/73/344379673.db2.gz LGKGMBJSOBDBGK-RDDDGLTNSA-N 1 0 248.290 -0.306 40 0 BBABRO [NH3+][C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000585263557 344379781 /nfs/dbraw/zinc/37/97/81/344379781.db2.gz LUQKHSALHUXCRA-GMTAPVOTSA-N 1 0 214.309 -0.051 40 0 BBABRO NC(=O)CN1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000585263560 344379588 /nfs/dbraw/zinc/37/95/88/344379588.db2.gz NJXDHELEJWYNER-VHSXEESVSA-N 1 0 211.309 -0.064 40 0 BBABRO C[C@]1(O)C[NH2+]CC[C@@H]1n1cnc2c1ncnc2N ZINC000585263574 344379604 /nfs/dbraw/zinc/37/96/04/344379604.db2.gz RICGOMOYRWOLGY-CPCISQLKSA-N 1 0 248.290 -0.306 40 0 BBABRO CO[C@@H]1CC[C@@H](NC(=O)/C=C/C[NH+](C)C)[C@H]1O ZINC000585289298 344403044 /nfs/dbraw/zinc/40/30/44/344403044.db2.gz HSKJQBDJRVUKLU-NPXVAWEMSA-N 1 0 242.319 -0.241 40 0 BBABRO C[C@H]1[C@H](O)[C@H](O)[C@@H](CO)[N@@H+]1Cc1ccccc1 ZINC000585293472 344405626 /nfs/dbraw/zinc/40/56/26/344405626.db2.gz XUPHZDINVZBXPF-ZBAXXZLZSA-N 1 0 237.299 -0.027 40 0 BBABRO C[C@H]1[C@H](O)[C@H](O)[C@@H](CO)[N@@H+]1CC1CC1 ZINC000585294448 344407566 /nfs/dbraw/zinc/40/75/66/344407566.db2.gz FRFHROMVNKKBKU-QRYDPKPESA-N 1 0 201.266 -0.817 40 0 BBABRO Cc1n[nH]cc1C[N@H+]1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1C ZINC000585294898 344415629 /nfs/dbraw/zinc/41/56/29/344415629.db2.gz LJRQFWZKHOEHIP-CDEVMZEPSA-N 1 0 241.291 -0.995 40 0 BBABRO OC[C@H]1[NH2+][C@@H](Cc2ccccc2)[C@H](O)[C@@H]1O ZINC000585295301 344417195 /nfs/dbraw/zinc/41/71/95/344417195.db2.gz UBRUCODYMXGSLX-WHOHXGKFSA-N 1 0 223.272 -0.716 40 0 BBABRO C[C@H]1[C@H](O)[C@H](O)[C@@H](CO)[N@@H+]1Cc1cccnc1 ZINC000585295387 344417633 /nfs/dbraw/zinc/41/76/33/344417633.db2.gz XOOREHPPDMKPGS-ZDDJMSTPSA-N 1 0 238.287 -0.632 40 0 BBABRO CC(C)(C)OC(=O)[C@@H](N)[C@@]1([NH3+])CCOC1 ZINC000602985547 351865417 /nfs/dbraw/zinc/86/54/17/351865417.db2.gz BNYSKXGRSHDHEH-GMSGAONNSA-N 1 0 216.281 -0.227 40 0 BBABRO CC(C)(C)OC(=O)[C@H](N)[C@@]1([NH3+])CCOC1 ZINC000602985548 351866281 /nfs/dbraw/zinc/86/62/81/351866281.db2.gz BNYSKXGRSHDHEH-OIBJUYFYSA-N 1 0 216.281 -0.227 40 0 BBABRO CC(C)(C)OC(=O)[C@@H](N)[C@]1([NH3+])CCOC1 ZINC000602985549 351866036 /nfs/dbraw/zinc/86/60/36/351866036.db2.gz BNYSKXGRSHDHEH-XCBNKYQSSA-N 1 0 216.281 -0.227 40 0 BBABRO CC(C)(C)OC(=O)[C@H](N)[C@]1([NH3+])CCOC1 ZINC000602985550 351866090 /nfs/dbraw/zinc/86/60/90/351866090.db2.gz BNYSKXGRSHDHEH-XVKPBYJWSA-N 1 0 216.281 -0.227 40 0 BBABRO Cc1nccc(C[C@H]2[C@H]([NH3+])C[C@@H](O)[C@@H]2CO)n1 ZINC000604382159 350121017 /nfs/dbraw/zinc/12/10/17/350121017.db2.gz IDRJMLAUSQHVPC-DDHJBXDOSA-N 1 0 237.303 -0.356 40 0 biogenic,in-vitro BBABRO C[NH2+][C@@H]1CN(C(=O)OC)CC[C@]1(C)O ZINC000685936076 538755988 /nfs/dbraw/zinc/75/59/88/538755988.db2.gz CZXOWUSCUBZNNY-APPZFPTMSA-N 1 0 202.254 -0.203 40 0 BBABRO C[NH2+][C@H]1CN(C(=O)OC)CC[C@]1(C)O ZINC000685936077 538755999 /nfs/dbraw/zinc/75/59/99/538755999.db2.gz CZXOWUSCUBZNNY-CBAPKCEASA-N 1 0 202.254 -0.203 40 0 BBABRO C[NH2+][C@H]1CN(C(=O)OC)CC[C@@]1(C)O ZINC000685936078 538757243 /nfs/dbraw/zinc/75/72/43/538757243.db2.gz CZXOWUSCUBZNNY-IONNQARKSA-N 1 0 202.254 -0.203 40 0 BBABRO C[NH2+][C@@H]1CN(C(=O)OC)CC[C@@]1(C)O ZINC000685936079 538757728 /nfs/dbraw/zinc/75/77/28/538757728.db2.gz CZXOWUSCUBZNNY-VXNVDRBHSA-N 1 0 202.254 -0.203 40 0 BBABRO C[NH+](C)CCNC(=O)c1c(N)cnn1CCF ZINC000685936194 538757432 /nfs/dbraw/zinc/75/74/32/538757432.db2.gz JPLZTWJKPSKKMU-UHFFFAOYSA-N 1 0 243.286 -0.274 40 0 BBABRO C[NH+](C)CCNC(=O)c1nn(CCF)cc1N ZINC000685936252 538754975 /nfs/dbraw/zinc/75/49/75/538754975.db2.gz MUAJOQCDTMALIH-UHFFFAOYSA-N 1 0 243.286 -0.274 40 0 BBABRO CCOC(=O)N1CC[C@](C)(O)[C@H]([NH3+])C1 ZINC000685936340 538754001 /nfs/dbraw/zinc/75/40/01/538754001.db2.gz RROFFSHOJGSARN-APPZFPTMSA-N 1 0 202.254 -0.073 40 0 BBABRO CCOC(=O)N1CC[C@](C)(O)[C@@H]([NH3+])C1 ZINC000685936341 538755468 /nfs/dbraw/zinc/75/54/68/538755468.db2.gz RROFFSHOJGSARN-CBAPKCEASA-N 1 0 202.254 -0.073 40 0 BBABRO CCOC(=O)N1CC[C@@](C)(O)[C@@H]([NH3+])C1 ZINC000685936342 538754353 /nfs/dbraw/zinc/75/43/53/538754353.db2.gz RROFFSHOJGSARN-IONNQARKSA-N 1 0 202.254 -0.073 40 0 BBABRO CCOC(=O)N1CC[C@@](C)(O)[C@H]([NH3+])C1 ZINC000685936343 538754090 /nfs/dbraw/zinc/75/40/90/538754090.db2.gz RROFFSHOJGSARN-VXNVDRBHSA-N 1 0 202.254 -0.073 40 0 BBABRO