smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N(C)C)nc(CC2CC[NH2+]CC2)[nH+]1 ZINC000019686870 178097748 /nfs/dbraw/zinc/09/77/48/178097748.db2.gz RPVIOKPGMBCUKT-UHFFFAOYSA-N 2 1 234.347 1.393 50 0 BDAAMP C[C@H](CCCC(C)(C)O)[NH2+]C1CC[NH+](C)CC1 ZINC000000757643 343269918 /nfs/dbraw/zinc/26/99/18/343269918.db2.gz UNSBWRMGOSOQKW-GFCCVEGCSA-N 2 1 242.407 2.000 50 0 BDAAMP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC000038579550 343377405 /nfs/dbraw/zinc/37/74/05/343377405.db2.gz NWDYSRZJOLDMRE-CKUJCDMFSA-N 2 1 236.318 1.932 50 0 BDAAMP C[N@@H+](CC1CCOCC1)C[C@@H]1CCC[NH2+]C1 ZINC000042783259 343452980 /nfs/dbraw/zinc/45/29/80/343452980.db2.gz MOODZKXNWUAEJL-CYBMUJFWSA-N 2 1 226.364 1.344 50 0 BDAAMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCOc1cccnc1 ZINC000067908284 187274974 /nfs/dbraw/zinc/27/49/74/187274974.db2.gz BPXOUVZIMJSDIL-CYBMUJFWSA-N 2 1 249.358 1.581 50 0 BDAAMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@@H]1CCSC1)C2 ZINC000309593514 343934786 /nfs/dbraw/zinc/93/47/86/343934786.db2.gz HQODKOXYKBHZHH-WDEREUQCSA-N 2 1 237.372 1.541 50 0 BDAAMP Cc1ncc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000049714039 180145208 /nfs/dbraw/zinc/14/52/08/180145208.db2.gz FLXPPMPDOUJTDI-KCJUWKMLSA-N 2 1 225.361 1.621 50 0 BDAAMP Cc1ncc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000049714039 180145210 /nfs/dbraw/zinc/14/52/10/180145210.db2.gz FLXPPMPDOUJTDI-KCJUWKMLSA-N 2 1 225.361 1.621 50 0 BDAAMP CC[N@H+]1C[C@H](Nc2cc(C)[nH+]c(C)c2)[C@@H](OC)C1 ZINC000584884990 369033379 /nfs/dbraw/zinc/03/33/79/369033379.db2.gz QZAFGTLLNQGYIU-KBPBESRZSA-N 2 1 249.358 1.251 50 0 BDAAMP Cc1nonc1C[NH2+][C@@H](C)CCn1cc[nH+]c1C ZINC000584886002 369034168 /nfs/dbraw/zinc/03/41/68/369034168.db2.gz WMEHZZQIVBPWRK-VIFPVBQESA-N 2 1 249.318 1.451 50 0 BDAAMP CCC[NH+]1CCC([NH+]2CCSCC2)CC1 ZINC000032590209 169186944 /nfs/dbraw/zinc/18/69/44/169186944.db2.gz PUKRKOTTYIIJOA-UHFFFAOYSA-N 2 1 228.405 1.910 50 0 BDAAMP c1ccc2c(c1)CC[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000042783433 384244293 /nfs/dbraw/zinc/24/42/93/384244293.db2.gz ZBFILZDQJHWAFT-LBPRGKRZSA-N 2 1 216.328 1.654 50 0 BDAAMP C[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000042783427 384244665 /nfs/dbraw/zinc/24/46/65/384244665.db2.gz OWDUMFUCVYNNMN-ZDUSSCGKSA-N 2 1 204.317 1.728 50 0 BDAAMP [NH3+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019843433 384545017 /nfs/dbraw/zinc/54/50/17/384545017.db2.gz LUURPVUDUOREFV-LLVKDONJSA-N 2 1 205.305 1.252 50 0 BDAAMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019843433 384545024 /nfs/dbraw/zinc/54/50/24/384545024.db2.gz LUURPVUDUOREFV-LLVKDONJSA-N 2 1 205.305 1.252 50 0 BDAAMP Cc1c[nH+]c(C2CC2)n1[C@H]1CCC[NH2+]C1 ZINC000169676813 385416631 /nfs/dbraw/zinc/41/66/31/385416631.db2.gz YJSPWPJDLLYSKD-NSHDSACASA-N 2 1 205.305 1.993 50 0 BDAAMP Cc1c[nH+]c(C[C@H]2CC[NH2+]C2)n1C1CC1 ZINC000169676761 385416826 /nfs/dbraw/zinc/41/68/26/385416826.db2.gz OFQUTIWAUDMXIA-SNVBAGLBSA-N 2 1 205.305 1.678 50 0 BDAAMP Cc1cc(C)cc(N2CC[NH+](CCC[NH3+])CC2)c1 ZINC000045796300 132355076 /nfs/dbraw/zinc/35/50/76/132355076.db2.gz DKQUFXCHLCTJEQ-UHFFFAOYSA-N 2 1 247.386 1.774 50 0 BDAAMP CCn1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000012357869 172164870 /nfs/dbraw/zinc/16/48/70/172164870.db2.gz RXBPTPBXVPVNGT-NSHDSACASA-N 2 1 222.336 1.074 50 0 BDAAMP CCn1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000012357869 172164873 /nfs/dbraw/zinc/16/48/73/172164873.db2.gz RXBPTPBXVPVNGT-NSHDSACASA-N 2 1 222.336 1.074 50 0 BDAAMP CSCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067472625 175479971 /nfs/dbraw/zinc/47/99/71/175479971.db2.gz PSQKHEQLYMSQBK-UHFFFAOYSA-N 2 1 228.405 1.815 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@H]1CC[C@H](C[NH3+])[NH2+]C1 ZINC000757207398 582559270 /nfs/dbraw/zinc/55/92/70/582559270.db2.gz ATMMMKHAVVMEFZ-WDEREUQCSA-N 2 1 244.342 1.666 50 0 BDAAMP CCOCC[NH2+][C@@H]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000888098335 635375577 /nfs/dbraw/zinc/37/55/77/635375577.db2.gz IBQSLTXNFQXISQ-VXGBXAGGSA-N 2 1 237.347 1.682 50 0 BDAAMP CN(C1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000003683704 633075809 /nfs/dbraw/zinc/07/58/09/633075809.db2.gz OVQCPDXCWBEJKP-UHFFFAOYSA-N 2 1 225.380 1.107 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@H](C[NH3+])[NH2+]C1 ZINC000757213879 712583108 /nfs/dbraw/zinc/58/31/08/712583108.db2.gz RHINYONIMYGJGS-ZYHUDNBSSA-N 2 1 244.342 1.666 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@@H]1CC[NH2+]C[C@@H]1[NH3+] ZINC000757213843 712583138 /nfs/dbraw/zinc/58/31/38/712583138.db2.gz RHBKAVMFHZSMQX-KOLCDFICSA-N 2 1 230.315 1.276 50 0 BDAAMP COCCN1CC[C@H](C[N@@H+](C)C2CCCC2)C1 ZINC000952868505 974050551 /nfs/dbraw/zinc/05/05/51/974050551.db2.gz ABOFWOMNBJYQGX-CYBMUJFWSA-N 2 1 240.391 1.829 50 0 BDAAMP COCC[N@@H+]1CC[C@H](C[NH+](C)C2CCCC2)C1 ZINC000952868505 974050567 /nfs/dbraw/zinc/05/05/67/974050567.db2.gz ABOFWOMNBJYQGX-CYBMUJFWSA-N 2 1 240.391 1.829 50 0 BDAAMP COCC[N@H+]1CC[C@H](C[NH+](C)C2CCCC2)C1 ZINC000952868505 974050581 /nfs/dbraw/zinc/05/05/81/974050581.db2.gz ABOFWOMNBJYQGX-CYBMUJFWSA-N 2 1 240.391 1.829 50 0 BDAAMP COCC[NH+]1CC[C@H](C[N@H+](C)C2CCCC2)C1 ZINC000952868505 974050598 /nfs/dbraw/zinc/05/05/98/974050598.db2.gz ABOFWOMNBJYQGX-CYBMUJFWSA-N 2 1 240.391 1.829 50 0 BDAAMP COCC[NH+]1CC[C@H](C[N@@H+](C)C2CCCC2)C1 ZINC000952868505 974050612 /nfs/dbraw/zinc/05/06/12/974050612.db2.gz ABOFWOMNBJYQGX-CYBMUJFWSA-N 2 1 240.391 1.829 50 0 BDAAMP CC[NH+]1CCC([NH2+]C2CC(F)(F)C2)CC1 ZINC000335604827 345418387 /nfs/dbraw/zinc/41/83/87/345418387.db2.gz RQXPYRSGVJYBJZ-UHFFFAOYSA-N 2 1 218.291 1.858 50 0 BDAAMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](CC3CC3)C2)C[N@@H+]1C ZINC000252477605 363343191 /nfs/dbraw/zinc/34/31/91/363343191.db2.gz RGLPTCLUYOGMCQ-KWCYVHTRSA-N 2 1 237.391 1.153 50 0 BDAAMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](CC3CC3)C2)C[N@H+]1C ZINC000252477605 363343195 /nfs/dbraw/zinc/34/31/95/363343195.db2.gz RGLPTCLUYOGMCQ-KWCYVHTRSA-N 2 1 237.391 1.153 50 0 BDAAMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](CC3CC3)C2)C[NH+]1C ZINC000252477605 363343202 /nfs/dbraw/zinc/34/32/02/363343202.db2.gz RGLPTCLUYOGMCQ-KWCYVHTRSA-N 2 1 237.391 1.153 50 0 BDAAMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](CC3CC3)C2)C[NH+]1C ZINC000252477605 363343212 /nfs/dbraw/zinc/34/32/12/363343212.db2.gz RGLPTCLUYOGMCQ-KWCYVHTRSA-N 2 1 237.391 1.153 50 0 BDAAMP NC(=[NH2+])NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000069709899 181190029 /nfs/dbraw/zinc/19/00/29/181190029.db2.gz FHLGXFQFRDZHKY-CYBMUJFWSA-N 2 1 246.358 1.524 50 0 BDAAMP C[NH+](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC000002518423 383968481 /nfs/dbraw/zinc/96/84/81/383968481.db2.gz ZWWMYTHOWTVQTQ-UHFFFAOYSA-N 2 1 210.296 1.867 50 0 BDAAMP CCc1cccc(OCCCC[NH2+]CC[NH3+])c1 ZINC000039507321 384116798 /nfs/dbraw/zinc/11/67/98/384116798.db2.gz KGUJPFVZTUZVJU-UHFFFAOYSA-N 2 1 236.359 1.956 50 0 BDAAMP C[NH+](C)CC1CCN(C2CC[NH2+]CC2)CC1 ZINC000016124116 384452509 /nfs/dbraw/zinc/45/25/09/384452509.db2.gz MLVPRIFEJJPBCE-UHFFFAOYSA-N 2 1 225.380 1.012 50 0 BDAAMP c1[nH+]c([C@H]2CCC[NH2+]C2)n2c1CCCC2 ZINC000082931246 384726688 /nfs/dbraw/zinc/72/66/88/384726688.db2.gz VGKITYSVYVEVGT-JTQLQIEISA-N 2 1 205.305 1.686 50 0 BDAAMP C[NH+](C)CCC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000015021785 386762765 /nfs/dbraw/zinc/76/27/65/386762765.db2.gz JHEIOFIBTVJIHC-RDBSUJKOSA-N 2 1 240.391 1.564 50 0 BDAAMP C[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000037662697 173322545 /nfs/dbraw/zinc/32/25/45/173322545.db2.gz WNXBUQKVPFLNQK-UHFFFAOYSA-N 2 1 219.332 1.308 50 0 BDAAMP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH3+] ZINC000049712244 177265899 /nfs/dbraw/zinc/26/58/99/177265899.db2.gz NAEAIOLWLQLRLN-JQWIXIFHSA-N 2 1 205.305 1.251 50 0 BDAAMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH3+] ZINC000049712244 177265901 /nfs/dbraw/zinc/26/59/01/177265901.db2.gz NAEAIOLWLQLRLN-JQWIXIFHSA-N 2 1 205.305 1.251 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@H]1CC[C@@H]([NH3+])C[NH2+]1 ZINC000757207377 586437244 /nfs/dbraw/zinc/43/72/44/586437244.db2.gz AGXTVAYSGVYUNB-ZYHUDNBSSA-N 2 1 230.315 1.623 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@@H]1CC[NH2+]C[C@H]1[NH3+] ZINC000757212158 586438744 /nfs/dbraw/zinc/43/87/44/586438744.db2.gz MEGAAEBYUSQOSI-CMPLNLGQSA-N 2 1 230.315 1.276 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@H]1CC[NH2+][C@H](C[NH3+])C1 ZINC000757215136 586440206 /nfs/dbraw/zinc/44/02/06/586440206.db2.gz VAJUHQAFFJVQMU-JQWIXIFHSA-N 2 1 244.342 1.666 50 0 BDAAMP c1cnnc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC000257696435 634468527 /nfs/dbraw/zinc/46/85/27/634468527.db2.gz KFVCAKBYWWACOH-UHFFFAOYSA-N 2 1 246.358 1.442 50 0 BDAAMP CCOCC[NH2+][C@H]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000888098332 635375741 /nfs/dbraw/zinc/37/57/41/635375741.db2.gz IBQSLTXNFQXISQ-NEPJUHHUSA-N 2 1 237.347 1.682 50 0 BDAAMP C[N@@H+](CCC(C)(C)O)C[C@H]1CC[NH+](C)C1(C)C ZINC000823690490 968556252 /nfs/dbraw/zinc/55/62/52/968556252.db2.gz YLFHIRMBVLELPH-GFCCVEGCSA-N 2 1 242.407 1.810 50 0 BDAAMP C[NH+](CCC(C)(C)O)C[C@H]1CC[N@H+](C)C1(C)C ZINC000823690490 968556258 /nfs/dbraw/zinc/55/62/58/968556258.db2.gz YLFHIRMBVLELPH-GFCCVEGCSA-N 2 1 242.407 1.810 50 0 BDAAMP C[NH+](CCC(C)(C)O)C[C@H]1CC[N@@H+](C)C1(C)C ZINC000823690490 968556269 /nfs/dbraw/zinc/55/62/69/968556269.db2.gz YLFHIRMBVLELPH-GFCCVEGCSA-N 2 1 242.407 1.810 50 0 BDAAMP C[N@H+](CCC1(O)CCCC1)C1CC[NH+](C)CC1 ZINC000823664767 968557579 /nfs/dbraw/zinc/55/75/79/968557579.db2.gz LZTCEAJAIPBUER-UHFFFAOYSA-N 2 1 240.391 1.708 50 0 BDAAMP C[N@@H+](CCC1(O)CCCC1)C1CC[NH+](C)CC1 ZINC000823664767 968557587 /nfs/dbraw/zinc/55/75/87/968557587.db2.gz LZTCEAJAIPBUER-UHFFFAOYSA-N 2 1 240.391 1.708 50 0 BDAAMP Cc1ccc(C[NH2+]CCNC[C@H](C)O)s1 ZINC000019217277 342943918 /nfs/dbraw/zinc/94/39/18/342943918.db2.gz JZZKGESVCWVVPX-VIFPVBQESA-N 2 1 228.361 1.117 50 0 BDAAMP Cc1cc(C[N@@H+](C)CCCc2[nH+]ccn2C)on1 ZINC000215599074 136277760 /nfs/dbraw/zinc/27/77/60/136277760.db2.gz XDQGUOAWIAHLQA-UHFFFAOYSA-N 2 1 248.330 1.781 50 0 BDAAMP Cc1cc(C[N@H+](C)CCCc2[nH+]ccn2C)on1 ZINC000215599074 136277761 /nfs/dbraw/zinc/27/77/61/136277761.db2.gz XDQGUOAWIAHLQA-UHFFFAOYSA-N 2 1 248.330 1.781 50 0 BDAAMP CCc1c[nH+]c(N)nc1NC[C@H]1CCCCC[NH2+]1 ZINC000095357589 344334567 /nfs/dbraw/zinc/33/45/67/344334567.db2.gz JDGWYTGXGFAMHO-LLVKDONJSA-N 2 1 249.362 1.565 50 0 BDAAMP [NH3+][C@H]1CCN(c2cc[nH+]cc2Br)C1 ZINC000159892467 345584236 /nfs/dbraw/zinc/58/42/36/345584236.db2.gz LDAKYCWXMPAAMP-ZETCQYMHSA-N 2 1 242.120 1.382 50 0 BDAAMP Cc1ccc[nH+]c1NNC=C1C=CC=[NH+]1 ZINC000221677186 349274622 /nfs/dbraw/zinc/27/46/22/349274622.db2.gz PXKAZBFPWMMURA-CSKARUKUSA-N 2 1 200.245 1.789 50 0 BDAAMP Cc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000101425190 180145294 /nfs/dbraw/zinc/14/52/94/180145294.db2.gz FLXPPMPDOUJTDI-GZMMTYOYSA-N 2 1 225.361 1.621 50 0 BDAAMP Cc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000101425190 180145295 /nfs/dbraw/zinc/14/52/95/180145295.db2.gz FLXPPMPDOUJTDI-GZMMTYOYSA-N 2 1 225.361 1.621 50 0 BDAAMP Cc1[nH+]ccn1Cc1cccc(C[NH3+])c1 ZINC000020282595 180270256 /nfs/dbraw/zinc/27/02/56/180270256.db2.gz DVUPGUAHJJFIPS-UHFFFAOYSA-N 2 1 201.273 1.699 50 0 BDAAMP [NH2+]=C1NC(Nc2ccccc2)=[NH+]C2(CCCC2)N1 ZINC000005741096 181337606 /nfs/dbraw/zinc/33/76/06/181337606.db2.gz GALPIDQVWMEDBO-UHFFFAOYSA-N 2 1 243.314 1.643 50 0 BDAAMP [NH3+]CCC[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000045796284 181379198 /nfs/dbraw/zinc/37/91/98/181379198.db2.gz OZKPEICSLPFZDA-CYBMUJFWSA-N 2 1 238.331 1.609 50 0 BDAAMP [NH3+]CCC[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000045796284 181379203 /nfs/dbraw/zinc/37/92/03/181379203.db2.gz OZKPEICSLPFZDA-CYBMUJFWSA-N 2 1 238.331 1.609 50 0 BDAAMP C[NH+](C)C[C@@H](O)CNc1[nH+]ccc2ccccc21 ZINC000584887159 369035672 /nfs/dbraw/zinc/03/56/72/369035672.db2.gz BTPAFSDHJHEUQC-LBPRGKRZSA-N 2 1 245.326 1.569 50 0 BDAAMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000051889950 384699436 /nfs/dbraw/zinc/69/94/36/384699436.db2.gz MTSQXKHRXWCBSI-GFCCVEGCSA-N 2 1 205.305 1.123 50 0 BDAAMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000051889950 384699444 /nfs/dbraw/zinc/69/94/44/384699444.db2.gz MTSQXKHRXWCBSI-GFCCVEGCSA-N 2 1 205.305 1.123 50 0 BDAAMP C[NH+](C)CCC[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000001782880 387779164 /nfs/dbraw/zinc/77/91/64/387779164.db2.gz GKNOBYQJWCVNOG-HNNXBMFYSA-N 2 1 248.370 1.842 50 0 BDAAMP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000095973156 388797619 /nfs/dbraw/zinc/79/76/19/388797619.db2.gz IAMGDXXNAFVQHI-OLZOCXBDSA-N 2 1 242.407 1.715 50 0 BDAAMP CC(C)[NH2+]CC[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000253393541 167107215 /nfs/dbraw/zinc/10/72/15/167107215.db2.gz HESKUXBLJCRNJM-NEPJUHHUSA-N 2 1 214.353 1.125 50 0 BDAAMP COCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000097200903 174311996 /nfs/dbraw/zinc/31/19/96/174311996.db2.gz TUILGEREYSLOOE-ZDUSSCGKSA-N 2 1 249.358 1.770 50 0 BDAAMP COCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000097200903 174311998 /nfs/dbraw/zinc/31/19/98/174311998.db2.gz TUILGEREYSLOOE-ZDUSSCGKSA-N 2 1 249.358 1.770 50 0 BDAAMP COc1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000054979086 175106402 /nfs/dbraw/zinc/10/64/02/175106402.db2.gz UKAUMPOVXIWSMV-UHFFFAOYSA-N 2 1 222.332 1.737 50 0 BDAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccccn1 ZINC000036907787 176278580 /nfs/dbraw/zinc/27/85/80/176278580.db2.gz LXSCDXAHRNDHAW-UMVBOHGHSA-N 2 1 247.386 1.942 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@@H]([NH3+])C[NH2+]1 ZINC000757207375 586437496 /nfs/dbraw/zinc/43/74/96/586437496.db2.gz AGXTVAYSGVYUNB-PWSUYJOCSA-N 2 1 230.315 1.623 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]C[C@@H]([NH3+])C[C@@H]1C ZINC000757209073 586437666 /nfs/dbraw/zinc/43/76/66/586437666.db2.gz FOMAYWCETVDHGL-NURSFMCSSA-N 2 1 244.342 1.869 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@@H]1CC[NH2+]C[C@@H]1[NH3+] ZINC000757212159 586438974 /nfs/dbraw/zinc/43/89/74/586438974.db2.gz MEGAAEBYUSQOSI-JQWIXIFHSA-N 2 1 230.315 1.276 50 0 BDAAMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CCc1cn[nH]c1 ZINC000952974771 644445896 /nfs/dbraw/zinc/44/58/96/644445896.db2.gz OXVHLZAAOOYZPM-NSHDSACASA-N 2 1 224.352 1.271 50 0 BDAAMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CCc1cn[nH]c1 ZINC000952974771 644445904 /nfs/dbraw/zinc/44/59/04/644445904.db2.gz OXVHLZAAOOYZPM-NSHDSACASA-N 2 1 224.352 1.271 50 0 BDAAMP Cc1nnc(C[NH+]2CCC(C[NH3+])CC2)s1 ZINC000698347250 987371727 /nfs/dbraw/zinc/37/17/27/987371727.db2.gz HJICWLJTCYXQID-UHFFFAOYSA-N 2 1 226.349 1.017 50 0 BDAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CCc1c[nH]cn1 ZINC001506422722 988777885 /nfs/dbraw/zinc/77/78/85/988777885.db2.gz SOPBJDGMTUCION-LLVKDONJSA-N 2 1 247.346 1.389 50 0 BDAAMP c1cn(CCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC001506421014 988781806 /nfs/dbraw/zinc/78/18/06/988781806.db2.gz DCLLYSBWIDWBLX-AWEZNQCLSA-N 2 1 248.374 1.349 50 0 BDAAMP C[NH+]1CCC([NH2+]CCc2ccccc2)CC1 ZINC000000280637 342682012 /nfs/dbraw/zinc/68/20/12/342682012.db2.gz ULQCWUQXLLZVEI-UHFFFAOYSA-N 2 1 218.344 1.913 50 0 BDAAMP Cc1ccc(C[NH2+]CCNC[C@@H](C)O)s1 ZINC000019217274 342943912 /nfs/dbraw/zinc/94/39/12/342943912.db2.gz JZZKGESVCWVVPX-SECBINFHSA-N 2 1 228.361 1.117 50 0 BDAAMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCCO2)CC1 ZINC000032541444 187256195 /nfs/dbraw/zinc/25/61/95/187256195.db2.gz QETWGALKWRVLME-AWEZNQCLSA-N 2 1 240.391 1.970 50 0 BDAAMP C[N@@H+](CCCCCO)C[C@]1(C)CC[NH+](C)C1 ZINC000032590361 187256729 /nfs/dbraw/zinc/25/67/29/187256729.db2.gz WLQIZYAPVJPSEU-ZDUSSCGKSA-N 2 1 228.380 1.423 50 0 BDAAMP C[NH+](CCCCCO)C[C@]1(C)CC[N@H+](C)C1 ZINC000032590361 187256731 /nfs/dbraw/zinc/25/67/31/187256731.db2.gz WLQIZYAPVJPSEU-ZDUSSCGKSA-N 2 1 228.380 1.423 50 0 BDAAMP C[NH+](CCCCCO)C[C@]1(C)CC[N@@H+](C)C1 ZINC000032590361 187256732 /nfs/dbraw/zinc/25/67/32/187256732.db2.gz WLQIZYAPVJPSEU-ZDUSSCGKSA-N 2 1 228.380 1.423 50 0 BDAAMP Cc1ccccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000022151064 179273034 /nfs/dbraw/zinc/27/30/34/179273034.db2.gz YZYWLUMZHQKNJJ-UHFFFAOYSA-N 2 1 204.317 1.790 50 0 BDAAMP Cc1ccccc1C[N@H+]1CCC[NH2+]CC1 ZINC000022151064 179273035 /nfs/dbraw/zinc/27/30/35/179273035.db2.gz YZYWLUMZHQKNJJ-UHFFFAOYSA-N 2 1 204.317 1.790 50 0 BDAAMP Cc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000049714040 180146427 /nfs/dbraw/zinc/14/64/27/180146427.db2.gz FLXPPMPDOUJTDI-LDYMZIIASA-N 2 1 225.361 1.621 50 0 BDAAMP Cc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000049714040 180146429 /nfs/dbraw/zinc/14/64/29/180146429.db2.gz FLXPPMPDOUJTDI-LDYMZIIASA-N 2 1 225.361 1.621 50 0 BDAAMP C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCCC[C@H]1[NH3+] ZINC000040449157 350365038 /nfs/dbraw/zinc/36/50/38/350365038.db2.gz VEMLLQAIJFCAAS-QJPTWQEYSA-N 2 1 212.337 1.367 50 0 BDAAMP C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCCC[C@H]1[NH3+] ZINC000040449157 350365041 /nfs/dbraw/zinc/36/50/41/350365041.db2.gz VEMLLQAIJFCAAS-QJPTWQEYSA-N 2 1 212.337 1.367 50 0 BDAAMP NC(=[NH2+])NC(=[NH2+])Nc1ccc(Cl)cc1Cl ZINC000000528557 181187451 /nfs/dbraw/zinc/18/74/51/181187451.db2.gz YUOBDYAVSVCCNI-UHFFFAOYSA-N 2 1 246.101 1.823 50 0 BDAAMP Cc1n[nH]c(C)c1CCC[NH2+][C@H]1CCC[NH2+]C1 ZINC000067541353 383929805 /nfs/dbraw/zinc/92/98/05/383929805.db2.gz IYBKZBXAYFWAMD-LBPRGKRZSA-N 2 1 236.363 1.301 50 0 BDAAMP Cc1n[nH]cc1CCC[NH2+]C1CC[NH+](C)CC1 ZINC000050182383 383959108 /nfs/dbraw/zinc/95/91/08/383959108.db2.gz SJUAIIVUMMKMNL-UHFFFAOYSA-N 2 1 236.363 1.335 50 0 BDAAMP C[NH+](C)CCC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000002297681 383959826 /nfs/dbraw/zinc/95/98/26/383959826.db2.gz BGROOSOHEJHFDU-UHFFFAOYSA-N 2 1 236.315 1.457 50 0 BDAAMP Cc1cc(N2CCC[C@@H]([NH3+])C2)nc(C)[nH+]1 ZINC000090225637 384034830 /nfs/dbraw/zinc/03/48/30/384034830.db2.gz JDXUDOOOELZRMX-SNVBAGLBSA-N 2 1 206.293 1.021 50 0 BDAAMP Cc1cccc(N2CC[N@@H+](CCC[NH3+])[C@@H](C)C2)c1 ZINC000101251262 384670219 /nfs/dbraw/zinc/67/02/19/384670219.db2.gz ZZPCTTOUYAGCKS-AWEZNQCLSA-N 2 1 247.386 1.854 50 0 BDAAMP c1ccc2c(c1)CC[NH2+]C21CC[NH2+]CC1 ZINC000038979799 384891564 /nfs/dbraw/zinc/89/15/64/384891564.db2.gz SSTCSQVWAMVDNW-UHFFFAOYSA-N 2 1 202.301 1.411 50 0 BDAAMP C[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C)CC1 ZINC000216715769 385871482 /nfs/dbraw/zinc/87/14/82/385871482.db2.gz QNZWMYOSKDNUTN-LBPRGKRZSA-N 2 1 228.380 1.467 50 0 BDAAMP COc1c(C)c[nH+]c(CN2CC[C@H](C[NH3+])C2)c1C ZINC000050249114 386738658 /nfs/dbraw/zinc/73/86/58/386738658.db2.gz RQSPWCBOFYBFSI-GFCCVEGCSA-N 2 1 249.358 1.488 50 0 BDAAMP c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000082972322 387394072 /nfs/dbraw/zinc/39/40/72/387394072.db2.gz JWYKYWJRWSXJPQ-KGLIPLIRSA-N 2 1 216.328 1.870 50 0 BDAAMP C[NH2+]C1CC[NH+](CCc2ccccn2)CC1 ZINC000037483499 173322559 /nfs/dbraw/zinc/32/25/59/173322559.db2.gz LCWBSUNNCBUPQC-UHFFFAOYSA-N 2 1 219.332 1.308 50 0 BDAAMP C[C@H](c1ccccn1)[NH+]1CCC([NH3+])CC1 ZINC000020521607 177043676 /nfs/dbraw/zinc/04/36/76/177043676.db2.gz QJSFXTYZLFNLKB-SNVBAGLBSA-N 2 1 205.305 1.566 50 0 BDAAMP C[C@H]1CC[N@H+](Cc2ccccc2)CC[NH2+]1 ZINC000022921692 177165316 /nfs/dbraw/zinc/16/53/16/177165316.db2.gz PQJUKENLCKCHQX-LBPRGKRZSA-N 2 1 204.317 1.870 50 0 BDAAMP C[C@H]1CC[N@@H+](Cc2ccccc2)CC[NH2+]1 ZINC000022921692 177165319 /nfs/dbraw/zinc/16/53/19/177165319.db2.gz PQJUKENLCKCHQX-LBPRGKRZSA-N 2 1 204.317 1.870 50 0 BDAAMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000082164333 177324510 /nfs/dbraw/zinc/32/45/10/177324510.db2.gz BIDKDUYMXXPICF-AAEUAGOBSA-N 2 1 204.317 1.856 50 0 BDAAMP CC(C)c1ncc(C[N@@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000426715843 635758668 /nfs/dbraw/zinc/75/86/68/635758668.db2.gz IILVSFNCGONCGX-LLVKDONJSA-N 2 1 234.347 1.381 50 0 BDAAMP CC(C)c1ncc(C[N@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC000426715843 635758678 /nfs/dbraw/zinc/75/86/78/635758678.db2.gz IILVSFNCGONCGX-LLVKDONJSA-N 2 1 234.347 1.381 50 0 BDAAMP CC(C)CC[C@H](C)[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC000032503327 641337182 /nfs/dbraw/zinc/33/71/82/641337182.db2.gz ZGBWYPPIBRODSV-STQMWFEESA-N 2 1 228.380 1.861 50 0 BDAAMP c1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000006061233 342773349 /nfs/dbraw/zinc/77/33/49/342773349.db2.gz VZMAYQMDXZLZFZ-KGLIPLIRSA-N 2 1 216.328 1.728 50 0 BDAAMP C[N@@H+](CCCCCO)C[C@@]1(C)CC[NH+](C)C1 ZINC000032590359 342854263 /nfs/dbraw/zinc/85/42/63/342854263.db2.gz WLQIZYAPVJPSEU-CYBMUJFWSA-N 2 1 228.380 1.423 50 0 BDAAMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)(C)C ZINC000252511756 345537284 /nfs/dbraw/zinc/53/72/84/345537284.db2.gz KIRVRSRUXYZZDN-RWMBFGLXSA-N 2 1 240.391 1.874 50 0 BDAAMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(C)(C)C ZINC000252511756 345537286 /nfs/dbraw/zinc/53/72/86/345537286.db2.gz KIRVRSRUXYZZDN-RWMBFGLXSA-N 2 1 240.391 1.874 50 0 BDAAMP [NH3+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000004502809 181345270 /nfs/dbraw/zinc/34/52/70/181345270.db2.gz SQEOREZNJODJPM-UHFFFAOYSA-N 2 1 208.280 1.749 50 0 BDAAMP Cc1c[nH]c(CN(C)C[C@H]2CCC[N@H+]2C)n1 ZINC000584885819 369034461 /nfs/dbraw/zinc/03/44/61/369034461.db2.gz LOTZLNLAMJLXFM-LLVKDONJSA-N 2 1 222.336 1.244 50 0 BDAAMP CCCC[N@H+](C)C[C@@]1(O)CCC[NH+](C)C1 ZINC000041123499 374110554 /nfs/dbraw/zinc/11/05/54/374110554.db2.gz ZNPJNWVKTHZEFT-LBPRGKRZSA-N 2 1 214.353 1.175 50 0 BDAAMP CCCC[N@@H+](C)C[C@@]1(O)CCC[NH+](C)C1 ZINC000041123499 374110561 /nfs/dbraw/zinc/11/05/61/374110561.db2.gz ZNPJNWVKTHZEFT-LBPRGKRZSA-N 2 1 214.353 1.175 50 0 BDAAMP CCCC[NH+](C)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000041123499 374110568 /nfs/dbraw/zinc/11/05/68/374110568.db2.gz ZNPJNWVKTHZEFT-LBPRGKRZSA-N 2 1 214.353 1.175 50 0 BDAAMP CCCC[NH+](C)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000041123499 374110574 /nfs/dbraw/zinc/11/05/74/374110574.db2.gz ZNPJNWVKTHZEFT-LBPRGKRZSA-N 2 1 214.353 1.175 50 0 BDAAMP C[N@@H+](CCC[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000067855727 383953018 /nfs/dbraw/zinc/95/30/18/383953018.db2.gz LVAMJBIFPIAFMK-CYBMUJFWSA-N 2 1 226.364 1.629 50 0 BDAAMP c1[nH]c2ccccc2c1C[N@@H+]1CCC[NH2+]CC1 ZINC000038087063 384066309 /nfs/dbraw/zinc/06/63/09/384066309.db2.gz QOWGNRASWUUKJV-UHFFFAOYSA-N 2 1 229.327 1.963 50 0 BDAAMP c1[nH]c2ccccc2c1C[N@H+]1CCC[NH2+]CC1 ZINC000038087063 384066316 /nfs/dbraw/zinc/06/63/16/384066316.db2.gz QOWGNRASWUUKJV-UHFFFAOYSA-N 2 1 229.327 1.963 50 0 BDAAMP Cn1cccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000050595878 384102605 /nfs/dbraw/zinc/10/26/05/384102605.db2.gz NFEPGKWTVCGLMK-LBPRGKRZSA-N 2 1 233.359 1.599 50 0 BDAAMP CCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000262680875 384606637 /nfs/dbraw/zinc/60/66/37/384606637.db2.gz XGGPDQSXYNFCCM-WOPDTQHZSA-N 2 1 241.379 1.055 50 0 BDAAMP CC(C)(C)OC(=O)[C@H]([NH3+])CCCCCC[NH3+] ZINC000082048600 384645087 /nfs/dbraw/zinc/64/50/87/384645087.db2.gz YMBWPWAWAGVECD-SNVBAGLBSA-N 2 1 230.352 1.565 50 0 BDAAMP C[NH+](C)CCC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000004751436 384698614 /nfs/dbraw/zinc/69/86/14/384698614.db2.gz JHEIOFIBTVJIHC-IHRRRGAJSA-N 2 1 240.391 1.564 50 0 BDAAMP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000095973155 388798016 /nfs/dbraw/zinc/79/80/16/388798016.db2.gz IAMGDXXNAFVQHI-STQMWFEESA-N 2 1 242.407 1.715 50 0 BDAAMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)CC1 ZINC000095423798 388770187 /nfs/dbraw/zinc/77/01/87/388770187.db2.gz YMUYHSLEGBPDRN-MGPQQGTHSA-N 2 1 238.375 1.628 50 0 BDAAMP [NH3+]C[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000004384303 397925319 /nfs/dbraw/zinc/92/53/19/397925319.db2.gz UWOLTVQMHDWUBB-AWEZNQCLSA-N 2 1 218.344 1.900 50 0 BDAAMP CCn1cc(CNC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000050539769 172169701 /nfs/dbraw/zinc/16/97/01/172169701.db2.gz MNEPNQLUPYFZLC-LBPRGKRZSA-N 2 1 236.363 1.334 50 0 BDAAMP CCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000050539769 172169705 /nfs/dbraw/zinc/16/97/05/172169705.db2.gz MNEPNQLUPYFZLC-LBPRGKRZSA-N 2 1 236.363 1.334 50 0 BDAAMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](CO)c1ccccc1 ZINC000195557827 173052935 /nfs/dbraw/zinc/05/29/35/173052935.db2.gz MDJUYKSLBVRKJC-GJZGRUSLSA-N 2 1 248.370 1.794 50 0 BDAAMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CO)c1ccccc1 ZINC000195557827 173052938 /nfs/dbraw/zinc/05/29/38/173052938.db2.gz MDJUYKSLBVRKJC-GJZGRUSLSA-N 2 1 248.370 1.794 50 0 BDAAMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](CO)c1ccccc1 ZINC000183772788 173054583 /nfs/dbraw/zinc/05/45/83/173054583.db2.gz MDJUYKSLBVRKJC-LSDHHAIUSA-N 2 1 248.370 1.794 50 0 BDAAMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CO)c1ccccc1 ZINC000183772788 173054585 /nfs/dbraw/zinc/05/45/85/173054585.db2.gz MDJUYKSLBVRKJC-LSDHHAIUSA-N 2 1 248.370 1.794 50 0 BDAAMP COCC[N@H+]1CC[C@@H](C[NH2+]C2CCCC2)C1 ZINC000076461756 174311788 /nfs/dbraw/zinc/31/17/88/174311788.db2.gz SFIBYSBWEYMYQQ-LBPRGKRZSA-N 2 1 226.364 1.487 50 0 BDAAMP C[C@H]1C[N@H+](Cc2ccccc2)CCC[NH2+]1 ZINC000062569201 177264354 /nfs/dbraw/zinc/26/43/54/177264354.db2.gz NGECKXKOOXAGCQ-LBPRGKRZSA-N 2 1 204.317 1.870 50 0 BDAAMP C[C@H]1C[N@@H+](Cc2ccccc2)CCC[NH2+]1 ZINC000062569201 177264356 /nfs/dbraw/zinc/26/43/56/177264356.db2.gz NGECKXKOOXAGCQ-LBPRGKRZSA-N 2 1 204.317 1.870 50 0 BDAAMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH3+])C[C@H](C)O1 ZINC000021952922 177267054 /nfs/dbraw/zinc/26/70/54/177267054.db2.gz OYLCGJSRLTUEOC-TXEJJXNPSA-N 2 1 234.343 1.755 50 0 BDAAMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](C[C@@H](O)c1ccccc1)C2 ZINC000534636292 323156941 /nfs/dbraw/zinc/15/69/41/323156941.db2.gz WTPCSRGLJOXTNV-LXTVHRRPSA-N 2 1 246.354 1.389 50 0 BDAAMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](C[C@H](O)c1ccccc1)C2 ZINC000534636293 323156948 /nfs/dbraw/zinc/15/69/48/323156948.db2.gz WTPCSRGLJOXTNV-XGUBFFRZSA-N 2 1 246.354 1.389 50 0 BDAAMP C[C@@H]1C[C@@H](N(C)C(=O)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000237465640 487473850 /nfs/dbraw/zinc/47/38/50/487473850.db2.gz UUWIBNAAKXLHST-MNOVXSKESA-N 2 1 241.379 1.055 50 0 BDAAMP [NH3+]CC[C@@H]1C[N@@H+](CCCc2cccnc2)CCO1 ZINC000244608575 527192692 /nfs/dbraw/zinc/19/26/92/527192692.db2.gz FEXPTXQPIWNNNX-CQSZACIVSA-N 2 1 249.358 1.064 50 0 BDAAMP C[N@@H+]1CCC[C@@](O)(C[NH+]2CCCCCC2)C1 ZINC000046087841 583150498 /nfs/dbraw/zinc/15/04/98/583150498.db2.gz AMADGCJZWQUJJA-ZDUSSCGKSA-N 2 1 226.364 1.319 50 0 BDAAMP C[N@H+]1CCC[C@@](O)(C[NH+]2CCCCCC2)C1 ZINC000046087841 583150499 /nfs/dbraw/zinc/15/04/99/583150499.db2.gz AMADGCJZWQUJJA-ZDUSSCGKSA-N 2 1 226.364 1.319 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@H]1CC[NH2+]C[C@H]1[NH3+] ZINC000757212163 586438872 /nfs/dbraw/zinc/43/88/72/586438872.db2.gz MEGAAEBYUSQOSI-ZYHUDNBSSA-N 2 1 230.315 1.276 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@@H]1CC[NH2+][C@H](C[NH3+])C1 ZINC000757215138 586440147 /nfs/dbraw/zinc/44/01/47/586440147.db2.gz VAJUHQAFFJVQMU-PWSUYJOCSA-N 2 1 244.342 1.666 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@@H]1CC[NH2+][C@@H](C[NH3+])C1 ZINC000757215139 586440252 /nfs/dbraw/zinc/44/02/52/586440252.db2.gz VAJUHQAFFJVQMU-ZYHUDNBSSA-N 2 1 244.342 1.666 50 0 BDAAMP C[C@H](CCO)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000309576542 632540416 /nfs/dbraw/zinc/54/04/16/632540416.db2.gz PBPYOQPURYPKCE-GFCCVEGCSA-N 2 1 228.380 1.611 50 0 BDAAMP CC[N@H+]1CCC[C@@H]1CNc1cc(C[NH3+])nc(C)n1 ZINC000067739806 636780714 /nfs/dbraw/zinc/78/07/14/636780714.db2.gz WVKUJRGFMPCNHO-GFCCVEGCSA-N 2 1 249.362 1.140 50 0 BDAAMP CCC[C@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000958528416 644808178 /nfs/dbraw/zinc/80/81/78/644808178.db2.gz RLDXSNIXGOIJIX-PSIUFMSWSA-N 2 1 212.337 1.102 50 0 BDAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CCn1cccn1 ZINC001506409072 988778884 /nfs/dbraw/zinc/77/88/84/988778884.db2.gz FRHRLJLEVRUQFH-LBPRGKRZSA-N 2 1 247.346 1.320 50 0 BDAAMP C[C@H]1CCC[N@@H+](CCNC2=[NH+]CCCCN2)C1 ZINC000521396912 259303949 /nfs/dbraw/zinc/30/39/49/259303949.db2.gz CWBHGGLGUBHORA-LBPRGKRZSA-N 2 1 238.379 1.047 50 0 BDAAMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000253394500 398279054 /nfs/dbraw/zinc/27/90/54/398279054.db2.gz ZTNWUIJERJCSRM-OLZOCXBDSA-N 2 1 228.380 1.421 50 0 BDAAMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000253394500 398279059 /nfs/dbraw/zinc/27/90/59/398279059.db2.gz ZTNWUIJERJCSRM-OLZOCXBDSA-N 2 1 228.380 1.421 50 0 BDAAMP C[N@H+](CCC1CCOCC1)C1CC[NH+](C)CC1 ZINC000032507864 343236711 /nfs/dbraw/zinc/23/67/11/343236711.db2.gz CMYCJOVGYWRHMR-UHFFFAOYSA-N 2 1 240.391 1.829 50 0 BDAAMP C[N@@H+](CCC1CCOCC1)C1CC[NH+](C)CC1 ZINC000032507864 343236712 /nfs/dbraw/zinc/23/67/12/343236712.db2.gz CMYCJOVGYWRHMR-UHFFFAOYSA-N 2 1 240.391 1.829 50 0 BDAAMP C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CC[NH2+]CC1 ZINC000072323952 187276899 /nfs/dbraw/zinc/27/68/99/187276899.db2.gz QROOVRUKCMDFKC-UONOGXRCSA-N 2 1 237.391 1.156 50 0 biogenic BDAAMP CC[N@@H+]1CCC[C@@H](C[NH2+]C)[C@@H]1c1cnn(C)c1 ZINC000070278892 343950439 /nfs/dbraw/zinc/95/04/39/343950439.db2.gz DFUPEVKUTOENMN-WCQYABFASA-N 2 1 236.363 1.413 50 0 BDAAMP CC[N@H+]1CCC[C@@H](C[NH2+]C)[C@@H]1c1cnn(C)c1 ZINC000070278892 343950442 /nfs/dbraw/zinc/95/04/42/343950442.db2.gz DFUPEVKUTOENMN-WCQYABFASA-N 2 1 236.363 1.413 50 0 BDAAMP C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC000000818596 383880683 /nfs/dbraw/zinc/88/06/83/383880683.db2.gz JQSWRIGANADNJD-UHFFFAOYSA-N 2 1 204.317 1.870 50 0 BDAAMP C[C@H]([NH2+]C1(C[NH3+])CCOCC1)c1ccccc1 ZINC000068590659 384001875 /nfs/dbraw/zinc/00/18/75/384001875.db2.gz SJSHDLFGAZOKEL-LBPRGKRZSA-N 2 1 234.343 1.845 50 0 BDAAMP c1nc(C[N@H+]2CCCC3(CC[NH2+]CC3)CC2)c[nH]1 ZINC000067789068 383946532 /nfs/dbraw/zinc/94/65/32/383946532.db2.gz KSOWCHNXIXYGBU-UHFFFAOYSA-N 3 1 248.374 1.765 50 0 BDAAMP C[N@@H+](CCc1ccccn1)CC1CC[NH+](C)CC1 ZINC000071915661 384191877 /nfs/dbraw/zinc/19/18/77/384191877.db2.gz KFGATQGHQDSJGM-UHFFFAOYSA-N 2 1 247.386 1.898 50 0 BDAAMP c1ccc2c(c1)CC[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000042783432 384243850 /nfs/dbraw/zinc/24/38/50/384243850.db2.gz ZBFILZDQJHWAFT-GFCCVEGCSA-N 2 1 216.328 1.654 50 0 BDAAMP [NH3+]C[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000019843295 384546796 /nfs/dbraw/zinc/54/67/96/384546796.db2.gz BUUPCNSSZPMOOR-ZDUSSCGKSA-N 2 1 204.317 1.652 50 0 BDAAMP [NH3+]C[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000019843295 384546801 /nfs/dbraw/zinc/54/68/01/384546801.db2.gz BUUPCNSSZPMOOR-ZDUSSCGKSA-N 2 1 204.317 1.652 50 0 BDAAMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000084148703 384758740 /nfs/dbraw/zinc/75/87/40/384758740.db2.gz QDJXNFMVIOKPHV-OAHLLOKOSA-N 2 1 248.370 1.712 50 0 BDAAMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000044527935 385309219 /nfs/dbraw/zinc/30/92/19/385309219.db2.gz ZSXRVWIWZUXCGB-LBPRGKRZSA-N 2 1 220.316 1.563 50 0 BDAAMP Cc1c[nH+]ccc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366430094 386482736 /nfs/dbraw/zinc/48/27/36/386482736.db2.gz MMTNHTOWPLMQJK-ZDUSSCGKSA-N 2 1 247.342 1.301 50 0 BDAAMP CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000012481794 388719651 /nfs/dbraw/zinc/71/96/51/388719651.db2.gz DIQREXVGAWIWBR-IRCOFANPSA-N 2 1 214.353 1.076 50 0 BDAAMP C[NH+](C)C[C@H](O)C[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000095973157 388797323 /nfs/dbraw/zinc/79/73/23/388797323.db2.gz IAMGDXXNAFVQHI-QWHCGFSZSA-N 2 1 242.407 1.715 50 0 BDAAMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)(C)C ZINC000095421917 388769120 /nfs/dbraw/zinc/76/91/20/388769120.db2.gz KIRVRSRUXYZZDN-YNEHKIRRSA-N 2 1 240.391 1.874 50 0 BDAAMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)(C)C ZINC000095421917 388769122 /nfs/dbraw/zinc/76/91/22/388769122.db2.gz KIRVRSRUXYZZDN-YNEHKIRRSA-N 2 1 240.391 1.874 50 0 BDAAMP Cc1ccccc1N1CC[NH+](CCC[NH3+])CC1 ZINC000033854476 132336135 /nfs/dbraw/zinc/33/61/35/132336135.db2.gz IKZPKNILUZZSBA-UHFFFAOYSA-N 2 1 233.359 1.466 50 0 BDAAMP Cc1cccc(C)c1N1CC[NH+](CCC[NH3+])CC1 ZINC000045796298 132354982 /nfs/dbraw/zinc/35/49/82/132354982.db2.gz DWRJZPWHMJKODY-UHFFFAOYSA-N 2 1 247.386 1.774 50 0 BDAAMP CN1CCC[C@@](O)(C[N@@H+](C)Cc2ccccc2)C1 ZINC000046087336 411156564 /nfs/dbraw/zinc/15/65/64/411156564.db2.gz XJDCRAHXXSHJIO-HNNXBMFYSA-N 2 1 248.370 1.575 50 0 BDAAMP CN(Cc1ccccc1)C[C@]1(O)CCC[N@H+](C)C1 ZINC000046087336 411156569 /nfs/dbraw/zinc/15/65/69/411156569.db2.gz XJDCRAHXXSHJIO-HNNXBMFYSA-N 2 1 248.370 1.575 50 0 BDAAMP CN(Cc1ccccc1)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000046087336 411156573 /nfs/dbraw/zinc/15/65/73/411156573.db2.gz XJDCRAHXXSHJIO-HNNXBMFYSA-N 2 1 248.370 1.575 50 0 BDAAMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000004312830 170280263 /nfs/dbraw/zinc/28/02/63/170280263.db2.gz NCCMYMPJFQWVCO-NSHDSACASA-N 2 1 240.347 1.014 50 0 BDAAMP CCn1cc(CNC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000050539770 172171708 /nfs/dbraw/zinc/17/17/08/172171708.db2.gz MNEPNQLUPYFZLC-GFCCVEGCSA-N 2 1 236.363 1.334 50 0 BDAAMP CCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000050539770 172171711 /nfs/dbraw/zinc/17/17/11/172171711.db2.gz MNEPNQLUPYFZLC-GFCCVEGCSA-N 2 1 236.363 1.334 50 0 BDAAMP C[NH+](C)CCCNc1[nH]c2ccccc2[nH+]1 ZINC000008701457 172444019 /nfs/dbraw/zinc/44/40/19/172444019.db2.gz AHVLSCXTMGXAJB-UHFFFAOYSA-N 2 1 218.304 1.927 50 0 BDAAMP C[N@H+]1CCCN(c2ccccc2C[NH3+])CC1 ZINC000012370644 173018962 /nfs/dbraw/zinc/01/89/62/173018962.db2.gz YLJBTEMLBKZLIT-UHFFFAOYSA-N 2 1 219.332 1.287 50 0 BDAAMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000004203929 173370975 /nfs/dbraw/zinc/37/09/75/173370975.db2.gz ZSYALYBRMVKYAS-ZDUSSCGKSA-N 2 1 204.317 1.728 50 0 BDAAMP C[C@@H]1C[N@H+](Cc2ccc(C[NH3+])cc2)C[C@H](C)O1 ZINC000020283792 177261940 /nfs/dbraw/zinc/26/19/40/177261940.db2.gz PJSHESVXOXQVEU-TXEJJXNPSA-N 2 1 234.343 1.755 50 0 BDAAMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000026897155 177265061 /nfs/dbraw/zinc/26/50/61/177265061.db2.gz MGTFEKWKCLDVNN-AAEUAGOBSA-N 2 1 204.317 1.856 50 0 BDAAMP Cc1[nH+]ccn1CCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000244691756 527412444 /nfs/dbraw/zinc/41/24/44/527412444.db2.gz JISWJSHOCAHONO-CQSZACIVSA-N 2 1 248.374 1.362 50 0 BDAAMP Cc1[nH+]ccn1CCCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000244691756 527412450 /nfs/dbraw/zinc/41/24/50/527412450.db2.gz JISWJSHOCAHONO-CQSZACIVSA-N 2 1 248.374 1.362 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]C[C@H](C)C[C@H]1[NH3+] ZINC000757215738 586440919 /nfs/dbraw/zinc/44/09/19/586440919.db2.gz XPEGUNPXVZGEBF-XPLICSAQSA-N 2 1 244.342 1.869 50 0 BDAAMP CC/C=C(\C)CN1CCN2CC[N@@H+](C)C[C@@H]2C1 ZINC000065375272 712389350 /nfs/dbraw/zinc/38/93/50/712389350.db2.gz VMUOXXHUFBPPIN-BRRGFWCPSA-N 2 1 237.391 1.274 50 0 BDAAMP C[N@@H+](CCC(C)(C)O)C[C@@H]1CC[NH+](C)C1(C)C ZINC000823690491 968555129 /nfs/dbraw/zinc/55/51/29/968555129.db2.gz YLFHIRMBVLELPH-LBPRGKRZSA-N 2 1 242.407 1.810 50 0 BDAAMP C[NH+](CCC(C)(C)O)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000823690491 968555134 /nfs/dbraw/zinc/55/51/34/968555134.db2.gz YLFHIRMBVLELPH-LBPRGKRZSA-N 2 1 242.407 1.810 50 0 BDAAMP C[NH+](CCC(C)(C)O)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000823690491 968555141 /nfs/dbraw/zinc/55/51/41/968555141.db2.gz YLFHIRMBVLELPH-LBPRGKRZSA-N 2 1 242.407 1.810 50 0 BDAAMP CC[NH+](CC)CCC[NH2+]C1CCN(C)CC1 ZINC000002518431 342722281 /nfs/dbraw/zinc/72/22/81/342722281.db2.gz ZPGIBQNQYWZCOF-UHFFFAOYSA-N 2 1 227.396 1.402 50 0 BDAAMP C[N@H+]1[C@H](c2ccccc2)[C@H](C[NH3+])C[C@]1(C)CO ZINC000101006166 343399572 /nfs/dbraw/zinc/39/95/72/343399572.db2.gz KPPJHGVBDBRRCV-BFHYXJOUSA-N 2 1 234.343 1.389 50 0 BDAAMP CC[NH+]1CCC([NH2+][C@H](C)COC)CC1 ZINC000000279667 344674626 /nfs/dbraw/zinc/67/46/26/344674626.db2.gz POMCNNIJHZKCTF-SNVBAGLBSA-N 2 1 200.326 1.095 50 0 BDAAMP Cn1cncc1[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1C1CC1 ZINC000090166652 191001122 /nfs/dbraw/zinc/00/11/22/191001122.db2.gz ZOZIDWDWOURKED-MFKMUULPSA-N 2 1 234.347 1.294 50 0 BDAAMP Cn1cncc1[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1C1CC1 ZINC000090166652 191001124 /nfs/dbraw/zinc/00/11/24/191001124.db2.gz ZOZIDWDWOURKED-MFKMUULPSA-N 2 1 234.347 1.294 50 0 BDAAMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCCO1 ZINC000125099662 180235513 /nfs/dbraw/zinc/23/55/13/180235513.db2.gz SFXATXJDUVZZAW-ZDUSSCGKSA-N 2 1 237.347 1.692 50 0 BDAAMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCCO1 ZINC000125099662 180235519 /nfs/dbraw/zinc/23/55/19/180235519.db2.gz SFXATXJDUVZZAW-ZDUSSCGKSA-N 2 1 237.347 1.692 50 0 BDAAMP CC1CC[NH+](Cc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000601013353 350330052 /nfs/dbraw/zinc/33/00/52/350330052.db2.gz PGKVGAUNADOKPV-UHFFFAOYSA-N 2 1 248.374 1.608 50 0 BDAAMP CC(C)C[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000105887002 191123223 /nfs/dbraw/zinc/12/32/23/191123223.db2.gz DETCWKVGBDEISD-ZIAGYGMSSA-N 2 1 242.407 1.810 50 0 BDAAMP CC(C)C[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000105887002 191123226 /nfs/dbraw/zinc/12/32/26/191123226.db2.gz DETCWKVGBDEISD-ZIAGYGMSSA-N 2 1 242.407 1.810 50 0 BDAAMP OCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000002545014 183056187 /nfs/dbraw/zinc/05/61/87/183056187.db2.gz QLTWYVLPFXWGIX-UHFFFAOYSA-N 2 1 248.370 1.623 50 0 BDAAMP OC[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000097103406 183147107 /nfs/dbraw/zinc/14/71/07/183147107.db2.gz KQFOABMTUWWMLQ-CQSZACIVSA-N 2 1 240.391 1.709 50 0 BDAAMP C[N@@H+](CCC[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000067855729 383951736 /nfs/dbraw/zinc/95/17/36/383951736.db2.gz LVAMJBIFPIAFMK-ZDUSSCGKSA-N 2 1 226.364 1.629 50 0 BDAAMP c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000004203027 384044629 /nfs/dbraw/zinc/04/46/29/384044629.db2.gz AOBSJQWEYXEPBK-BETUJISGSA-N 2 1 202.301 1.338 50 0 BDAAMP c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000004203956 384044915 /nfs/dbraw/zinc/04/49/15/384044915.db2.gz VZMAYQMDXZLZFZ-UONOGXRCSA-N 2 1 216.328 1.728 50 0 BDAAMP COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000091691630 384137584 /nfs/dbraw/zinc/13/75/84/384137584.db2.gz FDAHYLITFOVURS-STQMWFEESA-N 2 1 248.326 1.009 50 0 BDAAMP COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000091691630 384137592 /nfs/dbraw/zinc/13/75/92/384137592.db2.gz FDAHYLITFOVURS-STQMWFEESA-N 2 1 248.326 1.009 50 0 BDAAMP [NH3+]C[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000019843296 384544338 /nfs/dbraw/zinc/54/43/38/384544338.db2.gz BUUPCNSSZPMOOR-CYBMUJFWSA-N 2 1 204.317 1.652 50 0 BDAAMP [NH3+]C[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000019843296 384544343 /nfs/dbraw/zinc/54/43/43/384544343.db2.gz BUUPCNSSZPMOOR-CYBMUJFWSA-N 2 1 204.317 1.652 50 0 BDAAMP Cc1cccc(N2CC[N@H+](CCC[NH3+])C[C@H]2C)c1 ZINC000101251096 384669523 /nfs/dbraw/zinc/66/95/23/384669523.db2.gz BEJBDSYKNRUYOV-CQSZACIVSA-N 2 1 247.386 1.854 50 0 BDAAMP Cc1c[nH+]c(C[C@@H]2CC[NH2+]C2)n1C(C)C ZINC000169676765 385417259 /nfs/dbraw/zinc/41/72/59/385417259.db2.gz FIWQMZAJZZVQBZ-NSHDSACASA-N 2 1 207.321 1.924 50 0 BDAAMP C[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)C)CC1 ZINC000216715816 385871381 /nfs/dbraw/zinc/87/13/81/385871381.db2.gz QNZWMYOSKDNUTN-GFCCVEGCSA-N 2 1 228.380 1.467 50 0 BDAAMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)CC1 ZINC000230163989 388362742 /nfs/dbraw/zinc/36/27/42/388362742.db2.gz YMUYHSLEGBPDRN-MJBXVCDLSA-N 2 1 238.375 1.628 50 0 BDAAMP Cc1n[nH]cc1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037648932 388475108 /nfs/dbraw/zinc/47/51/08/388475108.db2.gz VVAMSZZBDDNAGD-LLVKDONJSA-N 2 1 234.347 1.292 50 0 BDAAMP Cc1n[nH]cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037648932 388475112 /nfs/dbraw/zinc/47/51/12/388475112.db2.gz VVAMSZZBDDNAGD-LLVKDONJSA-N 2 1 234.347 1.292 50 0 BDAAMP CCn1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000012357870 172165836 /nfs/dbraw/zinc/16/58/36/172165836.db2.gz RXBPTPBXVPVNGT-LLVKDONJSA-N 2 1 222.336 1.074 50 0 BDAAMP CCn1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000012357870 172165838 /nfs/dbraw/zinc/16/58/38/172165838.db2.gz RXBPTPBXVPVNGT-LLVKDONJSA-N 2 1 222.336 1.074 50 0 BDAAMP C[N@H+]1CCCN(Cc2cccc(C[NH3+])c2)CC1 ZINC000019364639 173016642 /nfs/dbraw/zinc/01/66/42/173016642.db2.gz MSLZRDIUXASDJH-UHFFFAOYSA-N 2 1 233.359 1.283 50 0 BDAAMP CN1CCC[N@H+](Cc2cccc(C[NH3+])c2)CC1 ZINC000019364639 173016644 /nfs/dbraw/zinc/01/66/44/173016644.db2.gz MSLZRDIUXASDJH-UHFFFAOYSA-N 2 1 233.359 1.283 50 0 BDAAMP CN1CCC[N@@H+](Cc2cccc(C[NH3+])c2)CC1 ZINC000019364639 173016647 /nfs/dbraw/zinc/01/66/47/173016647.db2.gz MSLZRDIUXASDJH-UHFFFAOYSA-N 2 1 233.359 1.283 50 0 BDAAMP C[NH2+]Cc1ccccc1N1CCC[N@@H+](C)CC1 ZINC000012370647 173390350 /nfs/dbraw/zinc/39/03/50/173390350.db2.gz OEVIJYRNRIFBSO-UHFFFAOYSA-N 2 1 233.359 1.548 50 0 BDAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCC[NH+](C)C ZINC000033748268 176278714 /nfs/dbraw/zinc/27/87/14/176278714.db2.gz ZFMHJCHHDNGZAM-JHJVBQTASA-N 2 1 227.396 1.256 50 0 BDAAMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCC[NH+](C)C ZINC000033748268 176278717 /nfs/dbraw/zinc/27/87/17/176278717.db2.gz ZFMHJCHHDNGZAM-JHJVBQTASA-N 3 1 227.396 1.256 50 0 BDAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC[NH+](C)C ZINC000033748268 176278719 /nfs/dbraw/zinc/27/87/19/176278719.db2.gz ZFMHJCHHDNGZAM-JHJVBQTASA-N 3 1 227.396 1.256 50 0 BDAAMP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccccc1 ZINC000068593145 177191879 /nfs/dbraw/zinc/19/18/79/177191879.db2.gz JKSBJAIJUUQUJS-WCQYABFASA-N 2 1 204.317 1.998 50 0 BDAAMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccccc1 ZINC000068593145 177191881 /nfs/dbraw/zinc/19/18/81/177191881.db2.gz JKSBJAIJUUQUJS-WCQYABFASA-N 2 1 204.317 1.998 50 0 BDAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCC[NH+](C)C ZINC000033748270 177330512 /nfs/dbraw/zinc/33/05/12/177330512.db2.gz ZFMHJCHHDNGZAM-FRRDWIJNSA-N 2 1 227.396 1.256 50 0 BDAAMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC[NH+](C)C ZINC000033748270 177330515 /nfs/dbraw/zinc/33/05/15/177330515.db2.gz ZFMHJCHHDNGZAM-FRRDWIJNSA-N 3 1 227.396 1.256 50 0 BDAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC[NH+](C)C ZINC000033748270 177330517 /nfs/dbraw/zinc/33/05/17/177330517.db2.gz ZFMHJCHHDNGZAM-FRRDWIJNSA-N 3 1 227.396 1.256 50 0 BDAAMP CC[NH+]1CCC([N@H+](C)CCCF)CC1 ZINC000151357649 323015936 /nfs/dbraw/zinc/01/59/36/323015936.db2.gz WYMUMBITWWAMLE-UHFFFAOYSA-N 2 1 202.317 1.762 50 0 BDAAMP CC[NH+]1CCC([N@@H+](C)CCCF)CC1 ZINC000151357649 323015937 /nfs/dbraw/zinc/01/59/37/323015937.db2.gz WYMUMBITWWAMLE-UHFFFAOYSA-N 2 1 202.317 1.762 50 0 BDAAMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCSC1 ZINC000244601748 523846110 /nfs/dbraw/zinc/84/61/10/523846110.db2.gz DRHJDVZKNVDIRZ-QWRGUYRKSA-N 2 1 214.378 1.566 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]C[C@@H]([NH3+])C[C@H]1C ZINC000757208752 582559802 /nfs/dbraw/zinc/55/98/02/582559802.db2.gz DAXRXQLVNFBKKN-ISTVAULSSA-N 2 1 244.342 1.869 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@H]1CC[NH2+][C@H](C[NH3+])C1 ZINC000757210054 586438209 /nfs/dbraw/zinc/43/82/09/586438209.db2.gz HTIRUOIHYRTFRP-QWRGUYRKSA-N 2 1 244.342 1.666 50 0 BDAAMP CC(C)c1ncc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000426715844 635758491 /nfs/dbraw/zinc/75/84/91/635758491.db2.gz IILVSFNCGONCGX-NSHDSACASA-N 2 1 234.347 1.381 50 0 BDAAMP CC(C)c1ncc(C[N@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC000426715844 635758496 /nfs/dbraw/zinc/75/84/96/635758496.db2.gz IILVSFNCGONCGX-NSHDSACASA-N 2 1 234.347 1.381 50 0 BDAAMP CSCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000002498653 644139194 /nfs/dbraw/zinc/13/91/94/644139194.db2.gz SSTZDADKUZXFKN-UHFFFAOYSA-N 2 1 216.394 1.766 50 0 BDAAMP CSCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000002498653 644139201 /nfs/dbraw/zinc/13/92/01/644139201.db2.gz SSTZDADKUZXFKN-UHFFFAOYSA-N 2 1 216.394 1.766 50 0 BDAAMP [NH3+]CC[C@H]1C[N@H+](CCCC(F)(F)F)CCO1 ZINC000687747139 985376172 /nfs/dbraw/zinc/37/61/72/985376172.db2.gz VLHNJBQQKMSQEU-VIFPVBQESA-N 2 1 240.269 1.379 50 0 BDAAMP [NH3+]CC[C@H]1C[N@@H+](CCCC(F)(F)F)CCO1 ZINC000687747139 985376183 /nfs/dbraw/zinc/37/61/83/985376183.db2.gz VLHNJBQQKMSQEU-VIFPVBQESA-N 2 1 240.269 1.379 50 0 BDAAMP Cn1ncc2c1CCC[C@@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000037266976 361801565 /nfs/dbraw/zinc/80/15/65/361801565.db2.gz AGYNSBXPRDXEHX-ZDUSSCGKSA-N 2 1 248.374 1.481 50 0 BDAAMP C[N@@H+](CC1CCOCC1)C1CC[NH2+]CC1 ZINC000042783292 343452769 /nfs/dbraw/zinc/45/27/69/343452769.db2.gz HSTRRCCFFJDGRT-UHFFFAOYSA-N 2 1 212.337 1.097 50 0 BDAAMP CCc1c[nH+]c(N)nc1NCC[C@@H]1CCC[NH2+]1 ZINC000095372514 344335056 /nfs/dbraw/zinc/33/50/56/344335056.db2.gz JEXAIPKXZIMCQV-JTQLQIEISA-N 2 1 235.335 1.175 50 0 BDAAMP [NH3+][C@@H]1CCN(c2cc[nH+]cc2Br)C1 ZINC000159892609 345584193 /nfs/dbraw/zinc/58/41/93/345584193.db2.gz LDAKYCWXMPAAMP-SSDOTTSWSA-N 2 1 242.120 1.382 50 0 BDAAMP Cc1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000051576737 179080148 /nfs/dbraw/zinc/08/01/48/179080148.db2.gz AXRWQPDGOZGYOY-NSHDSACASA-N 2 1 205.305 1.171 50 0 BDAAMP Cc1n[nH]c(C)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067819943 179822127 /nfs/dbraw/zinc/82/21/27/179822127.db2.gz XBBUFGPTEWYXIT-UHFFFAOYSA-N 2 1 248.374 1.602 50 0 BDAAMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCSC1 ZINC000163976594 180263486 /nfs/dbraw/zinc/26/34/86/180263486.db2.gz MOIGSVSGOVHEED-NSHDSACASA-N 2 1 225.361 1.677 50 0 BDAAMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000100914618 368377381 /nfs/dbraw/zinc/37/73/81/368377381.db2.gz AZKBNPLDOBTBBR-MELADBBJSA-N 2 1 216.328 1.856 50 0 BDAAMP C[NH+](C)C[C@H](O)CNc1[nH+]ccc2ccccc21 ZINC000584887158 369036114 /nfs/dbraw/zinc/03/61/14/369036114.db2.gz BTPAFSDHJHEUQC-GFCCVEGCSA-N 2 1 245.326 1.569 50 0 BDAAMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000002511731 383969215 /nfs/dbraw/zinc/96/92/15/383969215.db2.gz IBSQNIPUVCQZAC-ZDUSSCGKSA-N 2 1 204.317 1.857 50 0 BDAAMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000026472416 384876722 /nfs/dbraw/zinc/87/67/22/384876722.db2.gz ZWNMRNMIZKFLBZ-ZDUSSCGKSA-N 2 1 220.316 1.236 50 0 BDAAMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1CCOCC1 ZINC000096492059 385232598 /nfs/dbraw/zinc/23/25/98/385232598.db2.gz MTVSZIOPBPOQPB-OCCSQVGLSA-N 2 1 240.391 1.875 50 0 BDAAMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034061593 385273809 /nfs/dbraw/zinc/27/38/09/385273809.db2.gz MVLOUNCMDFCYHO-YPMHNXCESA-N 2 1 204.317 1.856 50 0 BDAAMP Cc1c[nH+]c(CC[NH3+])n1Cc1ccccc1 ZINC000169676624 385417407 /nfs/dbraw/zinc/41/74/07/385417407.db2.gz VZGZTNVWZCTBJI-UHFFFAOYSA-N 2 1 215.300 1.741 50 0 BDAAMP c1ccc(N2CC[NH+](C3CC[NH2+]CC3)CC2)cc1 ZINC000004560311 132316771 /nfs/dbraw/zinc/31/67/71/132316771.db2.gz QTWLPFDOOHNQOX-UHFFFAOYSA-N 2 1 245.370 1.561 50 0 BDAAMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCSC1 ZINC000023279925 173052331 /nfs/dbraw/zinc/05/23/31/173052331.db2.gz DRHJDVZKNVDIRZ-MNOVXSKESA-N 2 1 214.378 1.566 50 0 BDAAMP COc1ccccc1C[N@H+](C)CCC[NH3+] ZINC000004384433 175324980 /nfs/dbraw/zinc/32/49/80/175324980.db2.gz RORYCJLCEZEEPQ-UHFFFAOYSA-N 2 1 208.305 1.476 50 0 BDAAMP COc1ccccc1C[N@@H+](C)CCC[NH3+] ZINC000004384433 175324982 /nfs/dbraw/zinc/32/49/82/175324982.db2.gz RORYCJLCEZEEPQ-UHFFFAOYSA-N 2 1 208.305 1.476 50 0 BDAAMP C[C@@H]1C[N@H+](Cc2cccc(C[NH3+])c2)CCO1 ZINC000022220231 176305772 /nfs/dbraw/zinc/30/57/72/176305772.db2.gz QEQIEYOHDKYEOM-LLVKDONJSA-N 2 1 220.316 1.366 50 0 BDAAMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH3+])c2)CCO1 ZINC000022220231 176305773 /nfs/dbraw/zinc/30/57/73/176305773.db2.gz QEQIEYOHDKYEOM-LLVKDONJSA-N 2 1 220.316 1.366 50 0 BDAAMP COC(C)(C)C[C@@H](C)[NH2+]CCc1[nH]cc[nH+]1 ZINC000124858491 323172360 /nfs/dbraw/zinc/17/23/60/323172360.db2.gz ADKITEKINRGHBV-SNVBAGLBSA-N 2 1 225.336 1.745 50 0 BDAAMP CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000245204229 522228043 /nfs/dbraw/zinc/22/80/43/522228043.db2.gz DIQREXVGAWIWBR-DDHJBXDOSA-N 2 1 214.353 1.076 50 0 BDAAMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCSC1 ZINC000244601749 523823629 /nfs/dbraw/zinc/82/36/29/523823629.db2.gz DRHJDVZKNVDIRZ-WDEREUQCSA-N 2 1 214.378 1.566 50 0 BDAAMP C[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@H]1c1ccccc1 ZINC000238853800 524018764 /nfs/dbraw/zinc/01/87/64/524018764.db2.gz LEIAGDQCKRSLTQ-YNEHKIRRSA-N 2 1 202.301 1.509 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@H]1CC[C@@H](C[NH3+])[NH2+]C1 ZINC000757207394 582558997 /nfs/dbraw/zinc/55/89/97/582558997.db2.gz ATMMMKHAVVMEFZ-QWRGUYRKSA-N 2 1 244.342 1.666 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@H](C[NH3+])[NH2+]C1 ZINC000757207391 582559200 /nfs/dbraw/zinc/55/92/00/582559200.db2.gz ATMMMKHAVVMEFZ-GHMZBOCLSA-N 2 1 244.342 1.666 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@@H]1C[C@@H](C)[C@@H]([NH3+])C[NH2+]1 ZINC000757213575 586439863 /nfs/dbraw/zinc/43/98/63/586439863.db2.gz PRHBPHJMLSRTCP-CDMKHQONSA-N 2 1 244.342 1.869 50 0 BDAAMP C1C[C@H]2[C@H]3C[NH2+]C[C@H]3[C@@H]1[N@@H+]2[C@H]1CCCSC1 ZINC000426486514 635726039 /nfs/dbraw/zinc/72/60/39/635726039.db2.gz VZDHRWSHNQXWAD-IEECTRCBSA-N 2 1 238.400 1.564 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@@H](C[NH3+])[NH2+]C1 ZINC000757213858 712583178 /nfs/dbraw/zinc/58/31/78/712583178.db2.gz RHINYONIMYGJGS-PWSUYJOCSA-N 2 1 244.342 1.666 50 0 BDAAMP c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000250645224 398296696 /nfs/dbraw/zinc/29/66/96/398296696.db2.gz JWYKYWJRWSXJPQ-UONOGXRCSA-N 2 1 216.328 1.870 50 0 BDAAMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000011891273 342844284 /nfs/dbraw/zinc/84/42/84/342844284.db2.gz RHENEKJMZAABBP-CYBMUJFWSA-N 2 1 204.317 1.776 50 0 BDAAMP CCN1CC[NH+](Cc2ccc(C[NH3+])cc2)CC1 ZINC000021951886 343029194 /nfs/dbraw/zinc/02/91/94/343029194.db2.gz SAUDSDDZIRPWMO-UHFFFAOYSA-N 2 1 233.359 1.283 50 0 BDAAMP C[N@@H+](CC[C@H]1CCCC[NH2+]1)CC1CCOCC1 ZINC000042783342 343452955 /nfs/dbraw/zinc/45/29/55/343452955.db2.gz GHWRNNMNOVUCDF-CQSZACIVSA-N 2 1 240.391 1.877 50 0 BDAAMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](CC3CC3)C2)C[N@@H+]1C ZINC000252477606 345526612 /nfs/dbraw/zinc/52/66/12/345526612.db2.gz RGLPTCLUYOGMCQ-XBFCOCLRSA-N 2 1 237.391 1.153 50 0 BDAAMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](CC3CC3)C2)C[N@H+]1C ZINC000252477606 345526616 /nfs/dbraw/zinc/52/66/16/345526616.db2.gz RGLPTCLUYOGMCQ-XBFCOCLRSA-N 2 1 237.391 1.153 50 0 BDAAMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](CC3CC3)C2)C[NH+]1C ZINC000252477606 345526618 /nfs/dbraw/zinc/52/66/18/345526618.db2.gz RGLPTCLUYOGMCQ-XBFCOCLRSA-N 2 1 237.391 1.153 50 0 BDAAMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CC3)C2)C[NH+]1C ZINC000252477606 345526620 /nfs/dbraw/zinc/52/66/20/345526620.db2.gz RGLPTCLUYOGMCQ-XBFCOCLRSA-N 2 1 237.391 1.153 50 0 BDAAMP Cc1cccc([C@H](C)[NH2+]C[C@H](O)CN(C)C)c1 ZINC000096477263 179196991 /nfs/dbraw/zinc/19/69/91/179196991.db2.gz GSYIJRXEHAVPNJ-JSGCOSHPSA-N 2 1 236.359 1.568 50 0 BDAAMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCSC2)C[C@@H]1C ZINC000309040256 538110184 /nfs/dbraw/zinc/11/01/84/538110184.db2.gz KSPRLIGDOJXHNA-SRVKXCTJSA-N 2 1 228.405 1.954 50 0 BDAAMP CC(C)=CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000096497128 188188888 /nfs/dbraw/zinc/18/88/88/188188888.db2.gz CTYNSGJKJVHHSR-UHFFFAOYSA-N 2 1 239.407 1.522 50 0 BDAAMP CN1CCC([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000000181970 383840841 /nfs/dbraw/zinc/84/08/41/383840841.db2.gz NFLLYLNCPYLCOH-UHFFFAOYSA-N 2 1 227.396 1.258 50 0 BDAAMP [NH3+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000002884187 383990919 /nfs/dbraw/zinc/99/09/19/383990919.db2.gz FJHBXXSVOVHAEM-ZDUSSCGKSA-N 2 1 204.317 1.510 50 0 BDAAMP CC(C)[N@@H+](C)CCNC(=[NH2+])Nc1ccccc1 ZINC000054108812 387151316 /nfs/dbraw/zinc/15/13/16/387151316.db2.gz GLWOMKQJPDRFNQ-UHFFFAOYSA-N 2 1 234.347 1.963 50 0 BDAAMP C[NH+](C)CCC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000248022009 387138009 /nfs/dbraw/zinc/13/80/09/387138009.db2.gz JHEIOFIBTVJIHC-MJBXVCDLSA-N 2 1 240.391 1.564 50 0 BDAAMP CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000004129039 387849006 /nfs/dbraw/zinc/84/90/06/387849006.db2.gz DIQREXVGAWIWBR-NNYUYHANSA-N 2 1 214.353 1.076 50 0 BDAAMP C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085631467 388092964 /nfs/dbraw/zinc/09/29/64/388092964.db2.gz PRBOWUVBAUMWGV-XQQFMLRXSA-N 2 1 238.375 1.484 50 0 BDAAMP C[N@H+]1CC[C@@H]([NH3+])[C@@H](Cc2ccccc2)C1 ZINC000019090377 173120675 /nfs/dbraw/zinc/12/06/75/173120675.db2.gz DPPPALZSPFEMNV-QWHCGFSZSA-N 2 1 204.317 1.508 50 0 BDAAMP C[NH2+]CCC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004488619 173350103 /nfs/dbraw/zinc/35/01/03/173350103.db2.gz KERZVQJZURVNBM-UHFFFAOYSA-N 2 1 222.288 1.114 50 0 BDAAMP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccccc1 ZINC000068593137 176229052 /nfs/dbraw/zinc/22/90/52/176229052.db2.gz JKSBJAIJUUQUJS-YPMHNXCESA-N 2 1 204.317 1.998 50 0 BDAAMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccccc1 ZINC000068593137 176229053 /nfs/dbraw/zinc/22/90/53/176229053.db2.gz JKSBJAIJUUQUJS-YPMHNXCESA-N 2 1 204.317 1.998 50 0 BDAAMP C[C@@H]1C[C@H](N(C)C(=O)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000237378410 488151772 /nfs/dbraw/zinc/15/17/72/488151772.db2.gz UUWIBNAAKXLHST-GHMZBOCLSA-N 2 1 241.379 1.055 50 0 BDAAMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CCO2)CC1 ZINC000244691797 527409549 /nfs/dbraw/zinc/40/95/49/527409549.db2.gz JJNGLXOIUGPJNK-UHFFFAOYSA-N 2 1 249.358 1.837 50 0 BDAAMP CC(C)CC[C@@H](C)[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC000032503326 641336483 /nfs/dbraw/zinc/33/64/83/641336483.db2.gz ZGBWYPPIBRODSV-OLZOCXBDSA-N 2 1 228.380 1.861 50 0 BDAAMP Cn1cc(C[N@H+](CC2CC2)C2CC[NH2+]CC2)cn1 ZINC000725325712 710755384 /nfs/dbraw/zinc/75/53/84/710755384.db2.gz XFFVDFQTOFOEHU-UHFFFAOYSA-N 2 1 248.374 1.384 50 0 BDAAMP Cn1cc(C[N@@H+](CC2CC2)C2CC[NH2+]CC2)cn1 ZINC000725325712 710755390 /nfs/dbraw/zinc/75/53/90/710755390.db2.gz XFFVDFQTOFOEHU-UHFFFAOYSA-N 2 1 248.374 1.384 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@@H]1C[C@@H](C)[C@H]([NH3+])C[NH2+]1 ZINC000757213819 712583162 /nfs/dbraw/zinc/58/31/62/712583162.db2.gz RBCUFBRFENJLTC-IUPBHXKESA-N 2 1 244.342 1.869 50 0 BDAAMP C[NH+]1CCC([NH2+]Cc2ccncc2)CC1 ZINC000000280434 342682163 /nfs/dbraw/zinc/68/21/63/342682163.db2.gz KBQJZXOYBNRYDN-UHFFFAOYSA-N 2 1 205.305 1.265 50 0 BDAAMP CN1CCC([N@@H+](C)CCCCC[NH3+])CC1 ZINC000004226783 342744975 /nfs/dbraw/zinc/74/49/75/342744975.db2.gz AFOAHCIXSKJHJN-UHFFFAOYSA-N 2 1 213.369 1.141 50 0 BDAAMP C[N@H+](CCCCC[NH3+])C1CC[NH+](C)CC1 ZINC000004226783 342744976 /nfs/dbraw/zinc/74/49/76/342744976.db2.gz AFOAHCIXSKJHJN-UHFFFAOYSA-N 3 1 213.369 1.141 50 0 BDAAMP C[N@@H+](CCCCC[NH3+])C1CC[NH+](C)CC1 ZINC000004226783 342744977 /nfs/dbraw/zinc/74/49/77/342744977.db2.gz AFOAHCIXSKJHJN-UHFFFAOYSA-N 3 1 213.369 1.141 50 0 BDAAMP CC(C)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@](C)(C1)C2 ZINC000026442100 343105250 /nfs/dbraw/zinc/10/52/50/343105250.db2.gz JFVICDDTHSNTRJ-BETUJISGSA-N 2 1 210.365 1.964 50 0 biogenic BDAAMP C[N@H+]1[C@H](c2ccccc2)[C@H](C[NH3+])C[C@@]1(C)CO ZINC000101006158 343399507 /nfs/dbraw/zinc/39/95/07/343399507.db2.gz KPPJHGVBDBRRCV-MJBXVCDLSA-N 2 1 234.343 1.389 50 0 BDAAMP CC(C)C[C@H](C)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000048366630 188152878 /nfs/dbraw/zinc/15/28/78/188152878.db2.gz DETCWKVGBDEISD-KBPBESRZSA-N 2 1 242.407 1.810 50 0 BDAAMP CC(C)C[C@H](C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000048366630 188152880 /nfs/dbraw/zinc/15/28/80/188152880.db2.gz DETCWKVGBDEISD-KBPBESRZSA-N 2 1 242.407 1.810 50 0 BDAAMP NC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000058112061 181189002 /nfs/dbraw/zinc/18/90/02/181189002.db2.gz WSRPZALNMALADJ-SNVBAGLBSA-N 2 1 236.319 1.290 50 0 BDAAMP C[NH+]1CCC(N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000036996499 361591838 /nfs/dbraw/zinc/59/18/38/361591838.db2.gz KIFNVBDWODOUAK-ZIAGYGMSSA-N 2 1 237.391 1.297 50 0 BDAAMP COC[C@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000328628449 371133108 /nfs/dbraw/zinc/13/31/08/371133108.db2.gz HGUUBDMWIBRJHG-WDEREUQCSA-N 2 1 223.320 1.070 50 0 BDAAMP OCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000008731132 183076789 /nfs/dbraw/zinc/07/67/89/183076789.db2.gz KXSSEEPLNUNWMD-UHFFFAOYSA-N 2 1 234.343 1.233 50 0 BDAAMP CNc1cc(C)[nH+]c(CC2CC[NH2+]CC2)n1 ZINC000072344493 384207143 /nfs/dbraw/zinc/20/71/43/384207143.db2.gz FSTVKXUAEJUKIK-UHFFFAOYSA-N 2 1 220.320 1.369 50 0 BDAAMP c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000082369457 384255320 /nfs/dbraw/zinc/25/53/20/384255320.db2.gz JWYKYWJRWSXJPQ-ZIAGYGMSSA-N 2 1 216.328 1.870 50 0 BDAAMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CCn1cccn1 ZINC000272337181 385291219 /nfs/dbraw/zinc/29/12/19/385291219.db2.gz BEOVCDGALNAYOA-LBPRGKRZSA-N 2 1 247.346 1.456 50 0 BDAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CC[NH2+]C1 ZINC000169676819 385417270 /nfs/dbraw/zinc/41/72/70/385417270.db2.gz NVAWAKPRDOAWIS-GFCCVEGCSA-N 2 1 235.331 1.620 50 0 BDAAMP CC[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000065418621 385626725 /nfs/dbraw/zinc/62/67/25/385626725.db2.gz VDRLYNGBKWNRHP-LLVKDONJSA-N 2 1 214.353 1.221 50 0 BDAAMP Cc1n[nH]c(C)c1C[N@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000426472739 387573578 /nfs/dbraw/zinc/57/35/78/387573578.db2.gz LXNXACJPSNOZDE-WVKUQDAKSA-N 2 1 246.358 1.209 50 0 BDAAMP Cc1n[nH]c(C)c1C[N@@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000426472739 387573582 /nfs/dbraw/zinc/57/35/82/387573582.db2.gz LXNXACJPSNOZDE-WVKUQDAKSA-N 2 1 246.358 1.209 50 0 BDAAMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)CC1 ZINC000230163999 388362456 /nfs/dbraw/zinc/36/24/56/388362456.db2.gz YMUYHSLEGBPDRN-BFHYXJOUSA-N 2 1 238.375 1.628 50 0 BDAAMP CCc1[nH+]ccn1CC[NH+]1CCC2(CCO2)CC1 ZINC000244619984 172026524 /nfs/dbraw/zinc/02/65/24/172026524.db2.gz FJRYABGMDIKWKD-UHFFFAOYSA-N 2 1 249.358 1.700 50 0 BDAAMP C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000051691782 173144792 /nfs/dbraw/zinc/14/47/92/173144792.db2.gz QANVLWSAWQEYBR-LLVKDONJSA-N 2 1 232.331 1.575 50 0 BDAAMP COc1ccc(CC[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000019907318 175091289 /nfs/dbraw/zinc/09/12/89/175091289.db2.gz YMIVHJMBUGIPPW-UHFFFAOYSA-N 2 1 248.370 1.922 50 0 BDAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccccn1 ZINC000036907786 177370791 /nfs/dbraw/zinc/37/07/91/177370791.db2.gz LXSCDXAHRNDHAW-IPYPFGDCSA-N 2 1 247.386 1.942 50 0 BDAAMP Cc1cnn(CCC[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC000534649237 323158250 /nfs/dbraw/zinc/15/82/50/323158250.db2.gz GVPMIEXRAMAJHH-BTTYYORXSA-N 2 1 248.374 1.251 50 0 BDAAMP Cc1cccc(CC[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])n1 ZINC000534675267 323159004 /nfs/dbraw/zinc/15/90/04/323159004.db2.gz SZYCBGSDJYHKQW-NHAGDIPZSA-N 2 1 245.370 1.602 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@@H]1C[C@@H](C)[C@@H]([NH3+])C[NH2+]1 ZINC000757213821 582560758 /nfs/dbraw/zinc/56/07/58/582560758.db2.gz RBCUFBRFENJLTC-LQJRIPTKSA-N 2 1 244.342 1.869 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]C[C@H](C)C[C@@H]1[NH3+] ZINC000757215735 586440833 /nfs/dbraw/zinc/44/08/33/586440833.db2.gz XPEGUNPXVZGEBF-FDLBOYPASA-N 2 1 244.342 1.869 50 0 BDAAMP CC[N@H+]1CCCC[C@H]1CNc1cc[nH+]c(CO)c1 ZINC000585092853 972131827 /nfs/dbraw/zinc/13/18/27/972131827.db2.gz QNCFKMNHLYQWOM-AWEZNQCLSA-N 2 1 249.358 1.860 50 0 BDAAMP c1cn(CCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC001506421016 988777391 /nfs/dbraw/zinc/77/73/91/988777391.db2.gz DCLLYSBWIDWBLX-CQSZACIVSA-N 2 1 248.374 1.349 50 0 BDAAMP C[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000000280639 342682196 /nfs/dbraw/zinc/68/21/96/342682196.db2.gz PMZJBCZZCJVNPS-UHFFFAOYSA-N 2 1 248.326 1.599 50 0 BDAAMP [NH3+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000014007977 342875684 /nfs/dbraw/zinc/87/56/84/342875684.db2.gz AZKBNPLDOBTBBR-MCIONIFRSA-N 2 1 216.328 1.856 50 0 BDAAMP CN1CCC([N@@H+](C)CCC[C@@H]2CCCO2)CC1 ZINC000032547752 343237367 /nfs/dbraw/zinc/23/73/67/343237367.db2.gz ABWYYHOOAAJGIN-CQSZACIVSA-N 2 1 240.391 1.972 50 0 BDAAMP C[N@H+](CCC[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000032547752 343237369 /nfs/dbraw/zinc/23/73/69/343237369.db2.gz ABWYYHOOAAJGIN-CQSZACIVSA-N 2 1 240.391 1.972 50 0 BDAAMP C[N@@H+](CCC[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000032547752 343237371 /nfs/dbraw/zinc/23/73/71/343237371.db2.gz ABWYYHOOAAJGIN-CQSZACIVSA-N 2 1 240.391 1.972 50 0 BDAAMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000000280469 343269542 /nfs/dbraw/zinc/26/95/42/343269542.db2.gz KIDHIAQSMIHXPR-GFCCVEGCSA-N 2 1 226.364 1.175 50 0 BDAAMP CC[NH+]1CCC([N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000000280469 343269543 /nfs/dbraw/zinc/26/95/43/343269543.db2.gz KIDHIAQSMIHXPR-GFCCVEGCSA-N 2 1 226.364 1.175 50 0 BDAAMP CC(C)C[C@H](C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000229176829 187391497 /nfs/dbraw/zinc/39/14/97/187391497.db2.gz DETCWKVGBDEISD-UONOGXRCSA-N 2 1 242.407 1.810 50 0 BDAAMP CC(C)C[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000229176829 187391498 /nfs/dbraw/zinc/39/14/98/187391498.db2.gz DETCWKVGBDEISD-UONOGXRCSA-N 2 1 242.407 1.810 50 0 BDAAMP CC(C)=CC[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069951842 188130253 /nfs/dbraw/zinc/13/02/53/188130253.db2.gz CLJFIEBPGYAULT-UHFFFAOYSA-N 2 1 240.391 1.589 50 0 BDAAMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCSC1 ZINC000163976488 188215470 /nfs/dbraw/zinc/21/54/70/188215470.db2.gz MOIGSVSGOVHEED-LLVKDONJSA-N 2 1 225.361 1.677 50 0 BDAAMP NC(=[NH2+])NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000106760085 181190279 /nfs/dbraw/zinc/19/02/79/181190279.db2.gz FHLGXFQFRDZHKY-ZDUSSCGKSA-N 2 1 246.358 1.524 50 0 BDAAMP NC(=[NH2+])NC(=[NH2+])Nc1cc(Cl)ccc1Cl ZINC000000089404 181187824 /nfs/dbraw/zinc/18/78/24/181187824.db2.gz ISWYMEZLJNBVDA-UHFFFAOYSA-N 2 1 246.101 1.823 50 0 BDAAMP [NH3+]CCCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000001650373 181376613 /nfs/dbraw/zinc/37/66/13/181376613.db2.gz BFURQINQUKOEFD-UHFFFAOYSA-N 3 1 235.375 1.576 50 0 BDAAMP Cc1nc(N)cc(NCCCC[NH+]2CCCC2)[nH+]1 ZINC000091860438 384151757 /nfs/dbraw/zinc/15/17/57/384151757.db2.gz RQMZWBGOTKLZEI-UHFFFAOYSA-N 2 1 249.362 1.655 50 0 BDAAMP CCC[C@H]1CN(Cc2cnc[nH]2)C[C@@H]1[NH+](C)C ZINC000092066131 384161489 /nfs/dbraw/zinc/16/14/89/384161489.db2.gz XSANLIXFXYZWHP-AAEUAGOBSA-N 2 1 236.363 1.572 50 0 BDAAMP CCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000262680873 384417034 /nfs/dbraw/zinc/41/70/34/384417034.db2.gz XGGPDQSXYNFCCM-UTUOFQBUSA-N 2 1 241.379 1.055 50 0 BDAAMP [NH3+]C[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000054956851 384860633 /nfs/dbraw/zinc/86/06/33/384860633.db2.gz LPGFHFDNRSIKNH-SNVBAGLBSA-N 2 1 208.280 1.606 50 0 BDAAMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000054956851 384860643 /nfs/dbraw/zinc/86/06/43/384860643.db2.gz LPGFHFDNRSIKNH-SNVBAGLBSA-N 2 1 208.280 1.606 50 0 BDAAMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000054954893 384862468 /nfs/dbraw/zinc/86/24/68/384862468.db2.gz BYNIUBOJBWXZCC-ZDUSSCGKSA-N 2 1 204.317 1.857 50 0 BDAAMP [NH3+]C[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000148461458 384889222 /nfs/dbraw/zinc/88/92/22/384889222.db2.gz JUOOTPCVPUXCDN-CHWSQXEVSA-N 2 1 202.301 1.467 50 0 BDAAMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1CCOCC1 ZINC000096492061 385230721 /nfs/dbraw/zinc/23/07/21/385230721.db2.gz MTVSZIOPBPOQPB-TZMCWYRMSA-N 2 1 240.391 1.875 50 0 BDAAMP CC[NH+](CC)CCCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000191786811 387129382 /nfs/dbraw/zinc/12/93/82/387129382.db2.gz BUAATDNMODQKNF-CQSZACIVSA-N 2 1 239.407 1.498 50 0 BDAAMP C[N@H+]1CCN(CCC[NH3+])[C@H](c2ccccc2)C1 ZINC000036378428 173079361 /nfs/dbraw/zinc/07/93/61/173079361.db2.gz FUQKHHWJDXPBSM-AWEZNQCLSA-N 2 1 233.359 1.324 50 0 BDAAMP c1ccc(C[N@@H+]2CCOC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000952986098 644448793 /nfs/dbraw/zinc/44/87/93/644448793.db2.gz HSZFXCXOHYWGQJ-CABCVRRESA-N 2 1 246.354 1.497 50 0 BDAAMP c1ccc(C[N@H+]2CCOC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000952986098 644448801 /nfs/dbraw/zinc/44/88/01/644448801.db2.gz HSZFXCXOHYWGQJ-CABCVRRESA-N 2 1 246.354 1.497 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@@H]1C[C@H](C)[C@H]([NH3+])C[NH2+]1 ZINC000757213818 712583114 /nfs/dbraw/zinc/58/31/14/712583114.db2.gz RBCUFBRFENJLTC-BHYNMZESSA-N 2 1 244.342 1.869 50 0 BDAAMP [NH3+]CC[C@@H]1C[N@H+](CCCC(F)(F)F)CCO1 ZINC000687747138 985377495 /nfs/dbraw/zinc/37/74/95/985377495.db2.gz VLHNJBQQKMSQEU-SECBINFHSA-N 2 1 240.269 1.379 50 0 BDAAMP [NH3+]CC[C@@H]1C[N@@H+](CCCC(F)(F)F)CCO1 ZINC000687747138 985377509 /nfs/dbraw/zinc/37/75/09/985377509.db2.gz VLHNJBQQKMSQEU-SECBINFHSA-N 2 1 240.269 1.379 50 0 BDAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CCc1c[nH]cn1 ZINC001506422723 988779591 /nfs/dbraw/zinc/77/95/91/988779591.db2.gz SOPBJDGMTUCION-NSHDSACASA-N 2 1 247.346 1.389 50 0 BDAAMP COCC1(C[NH2+][C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000584901229 342713615 /nfs/dbraw/zinc/71/36/15/342713615.db2.gz BZLLTQGWLFUVNJ-LLVKDONJSA-N 2 1 237.347 1.596 50 0 BDAAMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000011891270 342844317 /nfs/dbraw/zinc/84/43/17/342844317.db2.gz RHENEKJMZAABBP-ZDUSSCGKSA-N 2 1 204.317 1.776 50 0 BDAAMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC1CCOCC1 ZINC000042783387 343453176 /nfs/dbraw/zinc/45/31/76/343453176.db2.gz BABQSLBBCKVSAV-ZDUSSCGKSA-N 2 1 240.391 1.735 50 0 BDAAMP CC(C)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008733382 188104310 /nfs/dbraw/zinc/10/43/10/188104310.db2.gz SQIJZWSMTZEZOQ-UHFFFAOYSA-N 2 1 234.347 1.255 50 0 biogenic BDAAMP CCc1[nH+]ccn1-c1ccc(C[NH3+])cc1 ZINC000012395419 188104684 /nfs/dbraw/zinc/10/46/84/188104684.db2.gz PIIINBQRPSNTGY-UHFFFAOYSA-N 2 1 201.273 1.893 50 0 BDAAMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000011888385 356367608 /nfs/dbraw/zinc/36/76/08/356367608.db2.gz SBHNECOLJHKHAR-ZDUSSCGKSA-N 2 1 234.343 1.866 50 0 BDAAMP CC[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000075713398 359679629 /nfs/dbraw/zinc/67/96/29/359679629.db2.gz VNGBOZYZHRAYBQ-CQSZACIVSA-N 2 1 242.407 1.810 50 0 BDAAMP C[NH+]1CCC(N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000036996500 361591743 /nfs/dbraw/zinc/59/17/43/361591743.db2.gz KIFNVBDWODOUAK-UONOGXRCSA-N 2 1 237.391 1.297 50 0 BDAAMP [NH3+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000011729465 181344603 /nfs/dbraw/zinc/34/46/03/181344603.db2.gz KRIHULMCWJRKQE-UHFFFAOYSA-N 2 1 208.280 1.749 50 0 BDAAMP Cn1nccc1[C@H]1[C@H](C[NH3+])CCC[N@@H+]1C1CC1 ZINC000159907460 384370175 /nfs/dbraw/zinc/37/01/75/384370175.db2.gz CLQJJIMBCJTEAB-GXFFZTMASA-N 2 1 234.347 1.294 50 0 BDAAMP Cn1nccc1[C@H]1[C@H](C[NH3+])CCC[N@H+]1C1CC1 ZINC000159907460 384370178 /nfs/dbraw/zinc/37/01/78/384370178.db2.gz CLQJJIMBCJTEAB-GXFFZTMASA-N 2 1 234.347 1.294 50 0 BDAAMP COc1c(C)c[nH+]c(CN2CC[NH2+]CC2)c1C ZINC000095482917 384377027 /nfs/dbraw/zinc/37/70/27/384377027.db2.gz CVJKWQOZSOWYEA-UHFFFAOYSA-N 2 1 235.331 1.112 50 0 BDAAMP CC(C)(CNC(N)=[NH2+])[N@H+]1CCc2ccccc2C1 ZINC000058326823 384996979 /nfs/dbraw/zinc/99/69/79/384996979.db2.gz RDGYILQGUZTIFQ-UHFFFAOYSA-N 2 1 246.358 1.306 50 0 BDAAMP C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022862841 397975956 /nfs/dbraw/zinc/97/59/56/397975956.db2.gz UOBZVJHWHJAJCT-UHFFFAOYSA-N 2 1 220.316 1.238 50 0 BDAAMP c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000250645223 487620287 /nfs/dbraw/zinc/62/02/87/487620287.db2.gz JWYKYWJRWSXJPQ-KBPBESRZSA-N 2 1 216.328 1.870 50 0 BDAAMP C[N@H+]1[C@H](c2ccccc2)[C@@H](C[NH3+])C[C@@]1(C)CO ZINC000012336751 173204996 /nfs/dbraw/zinc/20/49/96/173204996.db2.gz KPPJHGVBDBRRCV-MCIONIFRSA-N 2 1 234.343 1.389 50 0 BDAAMP C[C@@H](c1ccncc1)[NH+]1CCC([NH3+])CC1 ZINC000020521509 176035995 /nfs/dbraw/zinc/03/59/95/176035995.db2.gz BSKFVHPAVOWLBA-JTQLQIEISA-N 2 1 205.305 1.566 50 0 BDAAMP C[C@H]1C[N@H+](Cc2cccc(C[NH3+])c2)CCO1 ZINC000022220233 177264227 /nfs/dbraw/zinc/26/42/27/177264227.db2.gz QEQIEYOHDKYEOM-NSHDSACASA-N 2 1 220.316 1.366 50 0 BDAAMP C[C@H]1C[N@@H+](Cc2cccc(C[NH3+])c2)CCO1 ZINC000022220233 177264229 /nfs/dbraw/zinc/26/42/29/177264229.db2.gz QEQIEYOHDKYEOM-NSHDSACASA-N 2 1 220.316 1.366 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@H]1CC[NH2+][C@@H](C[NH3+])C1 ZINC000757210058 586438484 /nfs/dbraw/zinc/43/84/84/586438484.db2.gz HTIRUOIHYRTFRP-WDEREUQCSA-N 2 1 244.342 1.666 50 0 BDAAMP CC(C)c1[nH+]ccn1CCC[NH2+][C@H]1CCOC1 ZINC000952966114 644445220 /nfs/dbraw/zinc/44/52/20/644445220.db2.gz HTYRXULMOOCHQP-LBPRGKRZSA-N 2 1 237.347 1.775 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@H]1CC[C@@H](C[NH3+])[NH2+]C1 ZINC000757213857 712583172 /nfs/dbraw/zinc/58/31/72/712583172.db2.gz RHINYONIMYGJGS-JQWIXIFHSA-N 2 1 244.342 1.666 50 0 BDAAMP Cc1cccc(C[N@H+](C)CCc2nccn2C)n1 ZINC001506401491 988773021 /nfs/dbraw/zinc/77/30/21/988773021.db2.gz INCBSCCWZDHZGG-UHFFFAOYSA-N 2 1 244.342 1.798 50 0 BDAAMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000014007974 342875635 /nfs/dbraw/zinc/87/56/35/342875635.db2.gz AZKBNPLDOBTBBR-MGPQQGTHSA-N 2 1 216.328 1.856 50 0 BDAAMP C[C@@H](CCCC(C)(C)O)[NH2+]C1CC[NH+](C)CC1 ZINC000002498850 343270832 /nfs/dbraw/zinc/27/08/32/343270832.db2.gz UNSBWRMGOSOQKW-LBPRGKRZSA-N 2 1 242.407 2.000 50 0 BDAAMP C[N@@H+](CCC1CC[NH2+]CC1)CC1CCOCC1 ZINC000042783396 343453149 /nfs/dbraw/zinc/45/31/49/343453149.db2.gz WDZXRGOVSPEAMC-UHFFFAOYSA-N 2 1 240.391 1.735 50 0 BDAAMP C(C1CCC1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000072131865 191004811 /nfs/dbraw/zinc/00/48/11/191004811.db2.gz RJXJTEJXCKHOPE-CYBMUJFWSA-N 2 1 208.349 1.862 50 0 BDAAMP C/C(=C\c1ccco1)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000065369787 188129793 /nfs/dbraw/zinc/12/97/93/188129793.db2.gz OVRKLHUOGLNLQV-YTRUQHMWSA-N 2 1 220.316 1.964 50 0 BDAAMP Fc1cnccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067908579 181020875 /nfs/dbraw/zinc/02/08/75/181020875.db2.gz NIMYRMKYSIJNKD-UHFFFAOYSA-N 2 1 249.333 1.796 50 0 BDAAMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC2)C[C@@H]1C ZINC000095968055 538611580 /nfs/dbraw/zinc/61/15/80/538611580.db2.gz KSPRLIGDOJXHNA-SDDRHHMPSA-N 2 1 228.405 1.954 50 0 BDAAMP [NH3+]C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000014988559 181344371 /nfs/dbraw/zinc/34/43/71/181344371.db2.gz WAURZPJBMDKXCF-UHFFFAOYSA-N 2 1 206.289 1.315 50 0 BDAAMP [NH3+]CCC[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000045796283 181379223 /nfs/dbraw/zinc/37/92/23/181379223.db2.gz OZKPEICSLPFZDA-ZDUSSCGKSA-N 2 1 238.331 1.609 50 0 BDAAMP [NH3+]CCC[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000045796283 181379224 /nfs/dbraw/zinc/37/92/24/181379224.db2.gz OZKPEICSLPFZDA-ZDUSSCGKSA-N 2 1 238.331 1.609 50 0 BDAAMP C[N@@H+](Cc1cccnc1)C[C@@H]1CCC[NH2+]C1 ZINC000021949666 384708677 /nfs/dbraw/zinc/70/86/77/384708677.db2.gz UKDGSWVIHDBVMN-CYBMUJFWSA-N 2 1 219.332 1.513 50 0 BDAAMP C[N@H+](Cc1cccnc1)C[C@@H]1CCC[NH2+]C1 ZINC000021949666 384708683 /nfs/dbraw/zinc/70/86/83/384708683.db2.gz UKDGSWVIHDBVMN-CYBMUJFWSA-N 2 1 219.332 1.513 50 0 BDAAMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000026472409 384876997 /nfs/dbraw/zinc/87/69/97/384876997.db2.gz ZWNMRNMIZKFLBZ-CYBMUJFWSA-N 2 1 220.316 1.236 50 0 BDAAMP CCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000236790398 388595554 /nfs/dbraw/zinc/59/55/54/388595554.db2.gz XGGPDQSXYNFCCM-SRVKXCTJSA-N 2 1 241.379 1.055 50 0 BDAAMP CCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000236789074 388596151 /nfs/dbraw/zinc/59/61/51/388596151.db2.gz XGGPDQSXYNFCCM-TUAOUCFPSA-N 2 1 241.379 1.055 50 0 BDAAMP Cc1ccc(N2CC[NH+](CCC[NH3+])CC2)cc1C ZINC000045796297 132354966 /nfs/dbraw/zinc/35/49/66/132354966.db2.gz IAWRXRPLGYLTJB-UHFFFAOYSA-N 2 1 247.386 1.774 50 0 BDAAMP Cc1cccc(N2CC[N@H+](CCC[NH3+])C[C@@H]2C)c1 ZINC000045796277 132355054 /nfs/dbraw/zinc/35/50/54/132355054.db2.gz BEJBDSYKNRUYOV-AWEZNQCLSA-N 2 1 247.386 1.854 50 0 BDAAMP [NH3+]C[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000004384302 397925427 /nfs/dbraw/zinc/92/54/27/397925427.db2.gz UWOLTVQMHDWUBB-CQSZACIVSA-N 2 1 218.344 1.900 50 0 BDAAMP C[N@H+](C[C@@]1(O)CCC[NH+](C)C1)C1CCCCC1 ZINC000041124016 173062982 /nfs/dbraw/zinc/06/29/82/173062982.db2.gz LSJPAXOHVZTAFI-CQSZACIVSA-N 2 1 240.391 1.708 50 0 BDAAMP C[N@@H+](C[C@@]1(O)CCC[NH+](C)C1)C1CCCCC1 ZINC000041124016 173062983 /nfs/dbraw/zinc/06/29/83/173062983.db2.gz LSJPAXOHVZTAFI-CQSZACIVSA-N 2 1 240.391 1.708 50 0 BDAAMP C[NH+](C[C@@]1(O)CCC[N@H+](C)C1)C1CCCCC1 ZINC000041124016 173062985 /nfs/dbraw/zinc/06/29/85/173062985.db2.gz LSJPAXOHVZTAFI-CQSZACIVSA-N 2 1 240.391 1.708 50 0 BDAAMP C[NH+](C[C@@]1(O)CCC[N@@H+](C)C1)C1CCCCC1 ZINC000041124016 173062988 /nfs/dbraw/zinc/06/29/88/173062988.db2.gz LSJPAXOHVZTAFI-CQSZACIVSA-N 2 1 240.391 1.708 50 0 BDAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCC[NH+](C)C ZINC000033748266 176277903 /nfs/dbraw/zinc/27/79/03/176277903.db2.gz ZFMHJCHHDNGZAM-UPJWGTAASA-N 2 1 227.396 1.256 50 0 BDAAMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC[NH+](C)C ZINC000033748266 176277905 /nfs/dbraw/zinc/27/79/05/176277905.db2.gz ZFMHJCHHDNGZAM-UPJWGTAASA-N 3 1 227.396 1.256 50 0 BDAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC[NH+](C)C ZINC000033748266 176277906 /nfs/dbraw/zinc/27/79/06/176277906.db2.gz ZFMHJCHHDNGZAM-UPJWGTAASA-N 3 1 227.396 1.256 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]C[C@@H](C)C[C@@H]1[NH3+] ZINC000757215739 586440720 /nfs/dbraw/zinc/44/07/20/586440720.db2.gz XPEGUNPXVZGEBF-YLGCSUCGSA-N 2 1 244.342 1.869 50 0 BDAAMP Cc1ncsc1C[N@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000426472622 635724984 /nfs/dbraw/zinc/72/49/84/635724984.db2.gz DFKWPJZXJCWUEJ-BKUVIOGVSA-N 2 1 249.383 1.634 50 0 BDAAMP Cc1ncsc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000426472622 635724994 /nfs/dbraw/zinc/72/49/94/635724994.db2.gz DFKWPJZXJCWUEJ-BKUVIOGVSA-N 2 1 249.383 1.634 50 0 BDAAMP CC(C)c1[nH+]ccn1CCC[NH2+][C@@H]1CCOC1 ZINC000952966113 644445252 /nfs/dbraw/zinc/44/52/52/644445252.db2.gz HTYRXULMOOCHQP-GFCCVEGCSA-N 2 1 237.347 1.775 50 0 BDAAMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000225419593 398309962 /nfs/dbraw/zinc/30/99/62/398309962.db2.gz ZTNWUIJERJCSRM-CHWSQXEVSA-N 2 1 228.380 1.421 50 0 BDAAMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000225419593 398309964 /nfs/dbraw/zinc/30/99/64/398309964.db2.gz ZTNWUIJERJCSRM-CHWSQXEVSA-N 2 1 228.380 1.421 50 0 BDAAMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1(C)COC1 ZINC000336710062 180235325 /nfs/dbraw/zinc/23/53/25/180235325.db2.gz QIGCWILWULSDMN-UHFFFAOYSA-N 2 1 237.347 1.550 50 0 BDAAMP Cc1[nH+]ccn1CCC[N@H+](C)CC1(C)COC1 ZINC000336710062 180235327 /nfs/dbraw/zinc/23/53/27/180235327.db2.gz QIGCWILWULSDMN-UHFFFAOYSA-N 2 1 237.347 1.550 50 0 BDAAMP Cc1[nH+]ccn1CC[N@@H+](C)CCc1ccccn1 ZINC000252484908 180252212 /nfs/dbraw/zinc/25/22/12/180252212.db2.gz GKIQUZDAGCFUPO-UHFFFAOYSA-N 2 1 244.342 1.761 50 0 BDAAMP Cc1[nH+]ccn1CC[N@H+](C)CCc1ccccn1 ZINC000252484908 180252214 /nfs/dbraw/zinc/25/22/14/180252214.db2.gz GKIQUZDAGCFUPO-UHFFFAOYSA-N 2 1 244.342 1.761 50 0 BDAAMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+]([C@@H]1CCCSC1)C2 ZINC000426593516 191099288 /nfs/dbraw/zinc/09/92/88/191099288.db2.gz AMUCWZUYOAIVIX-WRWGMCAJSA-N 2 1 226.389 1.551 50 0 BDAAMP CC(C)[N@@H+](C)CCNc1ncnc(N)c1Cl ZINC000225477917 188181139 /nfs/dbraw/zinc/18/11/39/188181139.db2.gz ZCTDNAUUGKKPDY-UHFFFAOYSA-N 2 1 243.742 1.464 50 0 BDAAMP NC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000058112064 181189276 /nfs/dbraw/zinc/18/92/76/181189276.db2.gz WSRPZALNMALADJ-JTQLQIEISA-N 2 1 236.319 1.290 50 0 BDAAMP NC(=[NH2+])N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000081947185 181187962 /nfs/dbraw/zinc/18/79/62/181187962.db2.gz MEJIWJKUZRWOQX-UHFFFAOYSA-N 2 1 232.331 1.088 50 0 BDAAMP C[C@@H]1C[C@H](N[C@H]2CC[NH+]3CCCC[C@H]23)C[N@H+]1C ZINC000252120090 541445285 /nfs/dbraw/zinc/44/52/85/541445285.db2.gz KSFQVCUTJFMEDY-ZOBORPQBSA-N 2 1 237.391 1.295 50 0 BDAAMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCCC[C@H]23)C[NH+]1C ZINC000252120090 541445289 /nfs/dbraw/zinc/44/52/89/541445289.db2.gz KSFQVCUTJFMEDY-ZOBORPQBSA-N 2 1 237.391 1.295 50 0 BDAAMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCCC[C@H]23)C[NH+]1C ZINC000252120090 541445291 /nfs/dbraw/zinc/44/52/91/541445291.db2.gz KSFQVCUTJFMEDY-ZOBORPQBSA-N 2 1 237.391 1.295 50 0 BDAAMP CCC[NH+]1CCC(N2CCC[N@@H+](C)CC2)CC1 ZINC000032519437 169186628 /nfs/dbraw/zinc/18/66/28/169186628.db2.gz ONABYPVNVGKVCP-UHFFFAOYSA-N 2 1 239.407 1.498 50 0 BDAAMP C[N@H+](Cc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000036883919 383917636 /nfs/dbraw/zinc/91/76/36/383917636.db2.gz WUZZCDOBFVDZCJ-ZDUSSCGKSA-N 2 1 204.317 1.856 50 0 BDAAMP C[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000036883919 383917643 /nfs/dbraw/zinc/91/76/43/383917643.db2.gz WUZZCDOBFVDZCJ-ZDUSSCGKSA-N 2 1 204.317 1.856 50 0 BDAAMP FC1(F)CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000071257249 384157230 /nfs/dbraw/zinc/15/72/30/384157230.db2.gz SJPKYEQXKLCJBT-UHFFFAOYSA-N 2 1 204.264 1.470 50 0 BDAAMP c1ccc(CCC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000023093602 384788051 /nfs/dbraw/zinc/78/80/51/384788051.db2.gz QUITYRPYRQXLRN-UHFFFAOYSA-N 2 1 218.344 1.915 50 0 BDAAMP c1ccc(CCC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000023093602 384788053 /nfs/dbraw/zinc/78/80/53/384788053.db2.gz QUITYRPYRQXLRN-UHFFFAOYSA-N 2 1 218.344 1.915 50 0 BDAAMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000026472777 384876254 /nfs/dbraw/zinc/87/62/54/384876254.db2.gz XUZFLQOWHVNBQZ-ZDUSSCGKSA-N 2 1 220.316 1.236 50 0 BDAAMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000054954891 384861194 /nfs/dbraw/zinc/86/11/94/384861194.db2.gz BYNIUBOJBWXZCC-CYBMUJFWSA-N 2 1 204.317 1.857 50 0 BDAAMP CCSC[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000169725136 385416982 /nfs/dbraw/zinc/41/69/82/385416982.db2.gz LYMRHSYPVDLGPY-GFCCVEGCSA-N 2 1 228.405 1.956 50 0 BDAAMP Cc1ccc(N2CC[NH+](CCC[NH3+])CC2)cc1 ZINC000039274794 132346799 /nfs/dbraw/zinc/34/67/99/132346799.db2.gz QGDYQOBBDRREIR-UHFFFAOYSA-N 2 1 233.359 1.466 50 0 BDAAMP CN1CCC[C@](O)(C[N@@H+](C)Cc2ccccc2)C1 ZINC000046087335 411156851 /nfs/dbraw/zinc/15/68/51/411156851.db2.gz XJDCRAHXXSHJIO-OAHLLOKOSA-N 2 1 248.370 1.575 50 0 BDAAMP CN(Cc1ccccc1)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000046087335 411156857 /nfs/dbraw/zinc/15/68/57/411156857.db2.gz XJDCRAHXXSHJIO-OAHLLOKOSA-N 2 1 248.370 1.575 50 0 BDAAMP CN(Cc1ccccc1)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000046087335 411156863 /nfs/dbraw/zinc/15/68/63/411156863.db2.gz XJDCRAHXXSHJIO-OAHLLOKOSA-N 2 1 248.370 1.575 50 0 BDAAMP CCOCCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000049709327 170375131 /nfs/dbraw/zinc/37/51/31/170375131.db2.gz AMSJCLFYWQBSTK-GHMZBOCLSA-N 2 1 200.326 1.082 50 0 BDAAMP CCOCCC[NH2+]C1CC[NH+](C)CC1 ZINC000095188440 170380532 /nfs/dbraw/zinc/38/05/32/170380532.db2.gz SAQKCOKECNZJAH-UHFFFAOYSA-N 2 1 200.326 1.097 50 0 BDAAMP C[N@H+]1CCN(CCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000019273868 173078594 /nfs/dbraw/zinc/07/85/94/173078594.db2.gz FUQKHHWJDXPBSM-CQSZACIVSA-N 2 1 233.359 1.324 50 0 BDAAMP C[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000070188737 173342773 /nfs/dbraw/zinc/34/27/73/173342773.db2.gz HSIUAGQVRUHXFE-UHFFFAOYSA-N 3 1 239.407 1.402 50 0 BDAAMP COCCC[N@@H+](CCC[NH3+])Cc1ccco1 ZINC000002887716 174221816 /nfs/dbraw/zinc/22/18/16/174221816.db2.gz NNEIPPGWCDZOCN-UHFFFAOYSA-N 2 1 226.320 1.467 50 0 BDAAMP COCCC[N@H+](CCC[NH3+])Cc1ccco1 ZINC000002887716 174221814 /nfs/dbraw/zinc/22/18/14/174221814.db2.gz NNEIPPGWCDZOCN-UHFFFAOYSA-N 2 1 226.320 1.467 50 0 BDAAMP CN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCn1cccn1 ZINC000670441728 487490094 /nfs/dbraw/zinc/49/00/94/487490094.db2.gz BROYKQGHAUBMDD-KGLIPLIRSA-N 2 1 248.374 1.442 50 0 BDAAMP CC[N@H+]1CC[C@@H](CN(C)Cc2cnc(C)nc2)C1 ZINC000670446530 487494622 /nfs/dbraw/zinc/49/46/22/487494622.db2.gz MYRYECGDZWHWNE-ZDUSSCGKSA-N 2 1 248.374 1.559 50 0 BDAAMP C[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1c1ccccc1 ZINC000238853799 524018629 /nfs/dbraw/zinc/01/86/29/524018629.db2.gz LEIAGDQCKRSLTQ-XQQFMLRXSA-N 2 1 202.301 1.509 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@H]1CC[NH2+]C[C@H]1[NH3+] ZINC000757213839 712583186 /nfs/dbraw/zinc/58/31/86/712583186.db2.gz RHBKAVMFHZSMQX-GXSJLCMTSA-N 2 1 230.315 1.276 50 0 BDAAMP CC(C)CC[C@H](C)[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC000200486173 970114898 /nfs/dbraw/zinc/11/48/98/970114898.db2.gz ZGBWYPPIBRODSV-QWHCGFSZSA-N 2 1 228.380 1.861 50 0 BDAAMP CCC(CC)[NH2+]CCC[N@@H+]1CCC[C@@H](O)C1 ZINC000065372557 168387180 /nfs/dbraw/zinc/38/71/80/168387180.db2.gz LWDXLGMZRCOHGZ-CYBMUJFWSA-N 2 1 228.380 1.611 50 0 BDAAMP CCC(CC)[NH2+]CCC[N@H+]1CCC[C@@H](O)C1 ZINC000065372557 168387182 /nfs/dbraw/zinc/38/71/82/168387182.db2.gz LWDXLGMZRCOHGZ-CYBMUJFWSA-N 2 1 228.380 1.611 50 0 BDAAMP C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000006645104 342780439 /nfs/dbraw/zinc/78/04/39/342780439.db2.gz RCMXNLSUDHVDJU-UHFFFAOYSA-N 2 1 204.317 1.870 50 0 BDAAMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034180705 343265977 /nfs/dbraw/zinc/26/59/77/343265977.db2.gz MVLOUNCMDFCYHO-WCQYABFASA-N 2 1 204.317 1.856 50 0 BDAAMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)[C@@](C)(O)C1 ZINC000091951900 180239737 /nfs/dbraw/zinc/23/97/37/180239737.db2.gz QUJAEJCOQBPNKE-YPMHNXCESA-N 2 1 237.347 1.284 50 0 BDAAMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)[C@@](C)(O)C1 ZINC000091951900 180239741 /nfs/dbraw/zinc/23/97/41/180239741.db2.gz QUJAEJCOQBPNKE-YPMHNXCESA-N 2 1 237.347 1.284 50 0 BDAAMP [NH3+]CCC[NH2+]Cc1ccc(F)cc1Cl ZINC000032920027 181383384 /nfs/dbraw/zinc/38/33/84/181383384.db2.gz NGYPRJWIPUTLNJ-UHFFFAOYSA-N 2 1 216.687 1.918 50 0 BDAAMP CCCC[N@H+](C)C[C@]1(O)CCC[NH+](C)C1 ZINC000041123497 374111861 /nfs/dbraw/zinc/11/18/61/374111861.db2.gz ZNPJNWVKTHZEFT-GFCCVEGCSA-N 2 1 214.353 1.175 50 0 BDAAMP CCCC[N@@H+](C)C[C@]1(O)CCC[NH+](C)C1 ZINC000041123497 374111870 /nfs/dbraw/zinc/11/18/70/374111870.db2.gz ZNPJNWVKTHZEFT-GFCCVEGCSA-N 2 1 214.353 1.175 50 0 BDAAMP CCCC[NH+](C)C[C@]1(O)CCC[N@H+](C)C1 ZINC000041123497 374111876 /nfs/dbraw/zinc/11/18/76/374111876.db2.gz ZNPJNWVKTHZEFT-GFCCVEGCSA-N 2 1 214.353 1.175 50 0 BDAAMP CCCC[NH+](C)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000041123497 374111884 /nfs/dbraw/zinc/11/18/84/374111884.db2.gz ZNPJNWVKTHZEFT-GFCCVEGCSA-N 2 1 214.353 1.175 50 0 BDAAMP c1[nH+]c([C@@H]2CCC[NH2+]C2)n2c1CCCC2 ZINC000082931245 183536662 /nfs/dbraw/zinc/53/66/62/183536662.db2.gz VGKITYSVYVEVGT-SNVBAGLBSA-N 2 1 205.305 1.686 50 0 BDAAMP C[NH+]1CCC([NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000069729517 384061884 /nfs/dbraw/zinc/06/18/84/384061884.db2.gz QWBGPJUTFIXFPE-UHFFFAOYSA-N 3 1 225.380 1.141 50 0 BDAAMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000051889952 384700778 /nfs/dbraw/zinc/70/07/78/384700778.db2.gz MTSQXKHRXWCBSI-LBPRGKRZSA-N 2 1 205.305 1.123 50 0 BDAAMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000051889952 384700791 /nfs/dbraw/zinc/70/07/91/384700791.db2.gz MTSQXKHRXWCBSI-LBPRGKRZSA-N 2 1 205.305 1.123 50 0 BDAAMP Cc1cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)[nH]n1 ZINC000065464242 385315515 /nfs/dbraw/zinc/31/55/15/385315515.db2.gz QFUPWYQENRANJX-UHFFFAOYSA-N 2 1 248.374 1.636 50 0 BDAAMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)n[nH]1 ZINC000065464242 385315519 /nfs/dbraw/zinc/31/55/19/385315519.db2.gz QFUPWYQENRANJX-UHFFFAOYSA-N 2 1 248.374 1.636 50 0 BDAAMP Cc1cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)n[nH]1 ZINC000065464242 385315524 /nfs/dbraw/zinc/31/55/24/385315524.db2.gz QFUPWYQENRANJX-UHFFFAOYSA-N 2 1 248.374 1.636 50 0 BDAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CC[NH2+]C1 ZINC000169676820 385416914 /nfs/dbraw/zinc/41/69/14/385416914.db2.gz NVAWAKPRDOAWIS-LBPRGKRZSA-N 2 1 235.331 1.620 50 0 BDAAMP CCSC[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000169725135 385417522 /nfs/dbraw/zinc/41/75/22/385417522.db2.gz LYMRHSYPVDLGPY-LBPRGKRZSA-N 2 1 228.405 1.956 50 0 BDAAMP CC1(C)C[C@]2(CCC[N@H+](CC[NH3+])C2)CCO1 ZINC000038193804 388401930 /nfs/dbraw/zinc/40/19/30/388401930.db2.gz YIECCTMCXLWQKT-ZDUSSCGKSA-N 2 1 226.364 1.616 50 0 biogenic BDAAMP CC1(C)C[C@]2(CCC[N@@H+](CC[NH3+])C2)CCO1 ZINC000038193804 388401931 /nfs/dbraw/zinc/40/19/31/388401931.db2.gz YIECCTMCXLWQKT-ZDUSSCGKSA-N 2 1 226.364 1.616 50 0 biogenic BDAAMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCSC1 ZINC000023279923 173028477 /nfs/dbraw/zinc/02/84/77/173028477.db2.gz DRHJDVZKNVDIRZ-GHMZBOCLSA-N 2 1 214.378 1.566 50 0 BDAAMP COCC[NH2+][C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000096669769 174340284 /nfs/dbraw/zinc/34/02/84/174340284.db2.gz QJJQGUVAFHVGCW-ZDUSSCGKSA-N 2 1 226.364 1.487 50 0 BDAAMP COc1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000011729469 175257794 /nfs/dbraw/zinc/25/77/94/175257794.db2.gz ZSNTXKRANYMRKW-UHFFFAOYSA-N 2 1 220.316 1.618 50 0 BDAAMP C[C@H]1C[C@H](N(C)C(=O)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000237582858 487486721 /nfs/dbraw/zinc/48/67/21/487486721.db2.gz UUWIBNAAKXLHST-WDEREUQCSA-N 2 1 241.379 1.055 50 0 BDAAMP C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1c1ccccc1 ZINC000238853798 524018403 /nfs/dbraw/zinc/01/84/03/524018403.db2.gz LEIAGDQCKRSLTQ-RWMBFGLXSA-N 2 1 202.301 1.509 50 0 BDAAMP C[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000251174702 536345054 /nfs/dbraw/zinc/34/50/54/536345054.db2.gz PRBOWUVBAUMWGV-JHJVBQTASA-N 2 1 238.375 1.484 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]C[C@H]([NH3+])C[C@@H]1C ZINC000757209066 586437726 /nfs/dbraw/zinc/43/77/26/586437726.db2.gz FOMAYWCETVDHGL-DRCTWCGVSA-N 2 1 244.342 1.869 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@H]([NH3+])C[NH2+]1 ZINC000757209916 586438273 /nfs/dbraw/zinc/43/82/73/586438273.db2.gz GQLVZCFAUGOOJK-CABZTGNLSA-N 2 1 230.315 1.623 50 0 BDAAMP CCOCC[NH2+][C@H]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000888098334 635376627 /nfs/dbraw/zinc/37/66/27/635376627.db2.gz IBQSLTXNFQXISQ-RYUDHWBXSA-N 2 1 237.347 1.682 50 0 BDAAMP CC[N@H+]1CCC[C@H]1CNc1cc(C[NH3+])nc(C)n1 ZINC000067739807 636781447 /nfs/dbraw/zinc/78/14/47/636781447.db2.gz WVKUJRGFMPCNHO-LBPRGKRZSA-N 2 1 249.362 1.140 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@H]1CC[C@H](C[NH3+])[NH2+]C1 ZINC000757213854 712583093 /nfs/dbraw/zinc/58/30/93/712583093.db2.gz RHINYONIMYGJGS-CMPLNLGQSA-N 2 1 244.342 1.666 50 0 BDAAMP Cc1cc(N(C)CCC[NH+]2CCOCC2)cc[nH+]1 ZINC000825281187 968639004 /nfs/dbraw/zinc/63/90/04/968639004.db2.gz BTOWWVYZTMWAMF-UHFFFAOYSA-N 2 1 249.358 1.549 50 0 BDAAMP CCC(CC)[NH2+]CCC[N@@H+]1CCC[C@H](O)C1 ZINC000065372556 168386958 /nfs/dbraw/zinc/38/69/58/168386958.db2.gz LWDXLGMZRCOHGZ-ZDUSSCGKSA-N 2 1 228.380 1.611 50 0 BDAAMP CCC(CC)[NH2+]CCC[N@H+]1CCC[C@H](O)C1 ZINC000065372556 168386959 /nfs/dbraw/zinc/38/69/59/168386959.db2.gz LWDXLGMZRCOHGZ-ZDUSSCGKSA-N 2 1 228.380 1.611 50 0 BDAAMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2C)C1 ZINC000097160167 344162568 /nfs/dbraw/zinc/16/25/68/344162568.db2.gz GNLAAPMTRFBZII-LBPRGKRZSA-N 2 1 236.363 1.540 50 0 BDAAMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2C)C1 ZINC000097160167 344162570 /nfs/dbraw/zinc/16/25/70/344162570.db2.gz GNLAAPMTRFBZII-LBPRGKRZSA-N 2 1 236.363 1.540 50 0 BDAAMP C[NH+]1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000038095340 344700259 /nfs/dbraw/zinc/70/02/59/344700259.db2.gz KSMXJGHMWLVYNU-GFCCVEGCSA-N 2 1 212.337 1.239 50 0 BDAAMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)(C)C ZINC000252511755 345537184 /nfs/dbraw/zinc/53/71/84/345537184.db2.gz KIRVRSRUXYZZDN-AVGNSLFASA-N 2 1 240.391 1.874 50 0 BDAAMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C(C)(C)C ZINC000252511755 345537187 /nfs/dbraw/zinc/53/71/87/345537187.db2.gz KIRVRSRUXYZZDN-AVGNSLFASA-N 2 1 240.391 1.874 50 0 BDAAMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCOC1 ZINC000336711416 180238125 /nfs/dbraw/zinc/23/81/25/180238125.db2.gz RFCAKSBLBVMVIO-CYBMUJFWSA-N 2 1 237.347 1.550 50 0 BDAAMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCOC1 ZINC000336711416 180238127 /nfs/dbraw/zinc/23/81/27/180238127.db2.gz RFCAKSBLBVMVIO-CYBMUJFWSA-N 2 1 237.347 1.550 50 0 BDAAMP NC(=[NH2+])NC(=[NH2+])Nc1cccc(Cl)c1Cl ZINC000000089377 181188652 /nfs/dbraw/zinc/18/86/52/181188652.db2.gz VBICEVQOHHQRLY-UHFFFAOYSA-N 2 1 246.101 1.823 50 0 BDAAMP COC[C@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328628448 371132744 /nfs/dbraw/zinc/13/27/44/371132744.db2.gz HGUUBDMWIBRJHG-QWRGUYRKSA-N 2 1 223.320 1.070 50 0 BDAAMP c1cnn(CC2(C[NH2+][C@H]3CCC[NH2+]C3)CC2)c1 ZINC000067433141 383923513 /nfs/dbraw/zinc/92/35/13/383923513.db2.gz SNHHBDOAPHTFAZ-LBPRGKRZSA-N 2 1 234.347 1.005 50 0 BDAAMP CC1(C)NC(=[NH2+])NC(Nc2ccccc2)=[NH+]1 ZINC000002464231 383966247 /nfs/dbraw/zinc/96/62/47/383966247.db2.gz JPHQETJAWFRRBM-UHFFFAOYSA-N 2 1 217.276 1.318 50 0 BDAAMP Cc1cc(N2CCC[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000090225636 384035575 /nfs/dbraw/zinc/03/55/75/384035575.db2.gz JDXUDOOOELZRMX-JTQLQIEISA-N 2 1 206.293 1.021 50 0 BDAAMP Cc1ccc(N2CC[NH+](CCC[NH3+])CC2)c(C)c1 ZINC000065335455 132389322 /nfs/dbraw/zinc/38/93/22/132389322.db2.gz UNZAPNPQNORXMX-UHFFFAOYSA-N 2 1 247.386 1.774 50 0 BDAAMP CC(C)[NH2+]CC[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000253393546 167106326 /nfs/dbraw/zinc/10/63/26/167106326.db2.gz HESKUXBLJCRNJM-VXGBXAGGSA-N 2 1 214.353 1.125 50 0 BDAAMP CCOCCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049709325 170375020 /nfs/dbraw/zinc/37/50/20/170375020.db2.gz AMSJCLFYWQBSTK-MNOVXSKESA-N 2 1 200.326 1.082 50 0 BDAAMP C[N@H+]1CCCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000020217521 173016233 /nfs/dbraw/zinc/01/62/33/173016233.db2.gz AQLZGQUKWNQYPH-UHFFFAOYSA-N 2 1 233.359 1.283 50 0 in-vitro BDAAMP CN1CCC[N@H+](Cc2ccc(C[NH3+])cc2)CC1 ZINC000020217521 173016234 /nfs/dbraw/zinc/01/62/34/173016234.db2.gz AQLZGQUKWNQYPH-UHFFFAOYSA-N 2 1 233.359 1.283 50 0 in-vitro BDAAMP CN1CCC[N@@H+](Cc2ccc(C[NH3+])cc2)CC1 ZINC000020217521 173016237 /nfs/dbraw/zinc/01/62/37/173016237.db2.gz AQLZGQUKWNQYPH-UHFFFAOYSA-N 2 1 233.359 1.283 50 0 in-vitro BDAAMP COCCCn1c(C)c[nH+]c1[C@@H]1CC[NH2+]C1 ZINC000169676611 174266563 /nfs/dbraw/zinc/26/65/63/174266563.db2.gz USXXXOCIBNXVBX-LLVKDONJSA-N 2 1 223.320 1.305 50 0 BDAAMP COc1ccccc1CCC[NH2+][C@H]1CCC[NH2+]C1 ZINC000067676400 175322787 /nfs/dbraw/zinc/32/27/87/175322787.db2.gz NBWDORVJUMADHK-AWEZNQCLSA-N 2 1 248.370 1.969 50 0 BDAAMP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccccc1 ZINC000062569212 176185491 /nfs/dbraw/zinc/18/54/91/176185491.db2.gz RGKDAJPPEVSFBH-GFCCVEGCSA-N 2 1 204.317 1.870 50 0 BDAAMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccccc1 ZINC000062569212 176185492 /nfs/dbraw/zinc/18/54/92/176185492.db2.gz RGKDAJPPEVSFBH-GFCCVEGCSA-N 2 1 204.317 1.870 50 0 BDAAMP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccccc1 ZINC000068593142 176208452 /nfs/dbraw/zinc/20/84/52/176208452.db2.gz JKSBJAIJUUQUJS-DGCLKSJQSA-N 2 1 204.317 1.998 50 0 BDAAMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccccc1 ZINC000068593142 176208454 /nfs/dbraw/zinc/20/84/54/176208454.db2.gz JKSBJAIJUUQUJS-DGCLKSJQSA-N 2 1 204.317 1.998 50 0 BDAAMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH3+] ZINC000049712243 176307599 /nfs/dbraw/zinc/30/75/99/176307599.db2.gz NAEAIOLWLQLRLN-PWSUYJOCSA-N 2 1 205.305 1.251 50 0 BDAAMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH3+] ZINC000049712243 176307601 /nfs/dbraw/zinc/30/76/01/176307601.db2.gz NAEAIOLWLQLRLN-PWSUYJOCSA-N 2 1 205.305 1.251 50 0 BDAAMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH3+] ZINC000078416704 177266460 /nfs/dbraw/zinc/26/64/60/177266460.db2.gz MGTFEKWKCLDVNN-WCQYABFASA-N 2 1 204.317 1.856 50 0 BDAAMP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH3+] ZINC000101398262 177266961 /nfs/dbraw/zinc/26/69/61/177266961.db2.gz NAEAIOLWLQLRLN-CMPLNLGQSA-N 2 1 205.305 1.251 50 0 BDAAMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH3+] ZINC000101398262 177266963 /nfs/dbraw/zinc/26/69/63/177266963.db2.gz NAEAIOLWLQLRLN-CMPLNLGQSA-N 2 1 205.305 1.251 50 0 BDAAMP CC[N@H+]1CC[C@H](CN(C)Cc2cnc(C)nc2)C1 ZINC000670446529 487495617 /nfs/dbraw/zinc/49/56/17/487495617.db2.gz MYRYECGDZWHWNE-CYBMUJFWSA-N 2 1 248.374 1.559 50 0 BDAAMP C[C@H]1C[C@@H](N(C)C(=O)CC(C)(C)[NH3+])CC[N@H+]1C ZINC000237638623 487497335 /nfs/dbraw/zinc/49/73/35/487497335.db2.gz UUWIBNAAKXLHST-QWRGUYRKSA-N 2 1 241.379 1.055 50 0 BDAAMP C[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccnc1 ZINC000670461194 487513814 /nfs/dbraw/zinc/51/38/14/487513814.db2.gz UMPKTYVXDGFHAW-KGLIPLIRSA-N 2 1 231.343 1.750 50 0 BDAAMP Cc1cc(N2CC[N@H+]3CCCC[C@H]3C2)nc(N)[nH+]1 ZINC000252463394 525082879 /nfs/dbraw/zinc/08/28/79/525082879.db2.gz IMFZTUKLBVNKOJ-NSHDSACASA-N 2 1 247.346 1.042 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@H]([NH3+])C[NH2+]1 ZINC000757207370 586437311 /nfs/dbraw/zinc/43/73/11/586437311.db2.gz AGXTVAYSGVYUNB-JQWIXIFHSA-N 2 1 230.315 1.623 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]C[C@H]([NH3+])C[C@H]1C ZINC000757208749 586437737 /nfs/dbraw/zinc/43/77/37/586437737.db2.gz DAXRXQLVNFBKKN-GPCCPHFNSA-N 2 1 244.342 1.869 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@H]1CC[C@@H]([NH3+])C[NH2+]1 ZINC000757209914 586438517 /nfs/dbraw/zinc/43/85/17/586438517.db2.gz GQLVZCFAUGOOJK-BXKDBHETSA-N 2 1 230.315 1.623 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]C[C@@H](C)C[C@H]1[NH3+] ZINC000757215737 586440748 /nfs/dbraw/zinc/44/07/48/586440748.db2.gz XPEGUNPXVZGEBF-OLXJLDBKSA-N 2 1 244.342 1.869 50 0 BDAAMP c1cn(CCCN2CCC[N@H+]3CCC[C@H]3C2)cn1 ZINC001506404009 988772415 /nfs/dbraw/zinc/77/24/15/988772415.db2.gz DUERNDXUBGLIQU-AWEZNQCLSA-N 2 1 248.374 1.443 50 0 BDAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CCn1cccn1 ZINC001506409068 988777979 /nfs/dbraw/zinc/77/79/79/988777979.db2.gz FRHRLJLEVRUQFH-GFCCVEGCSA-N 2 1 247.346 1.320 50 0 BDAAMP Cc1cc(N2CCC[N@H+](C3CC3)CC2)nc(N)[nH+]1 ZINC000057857722 178114180 /nfs/dbraw/zinc/11/41/80/178114180.db2.gz DMNXIJRAMQTNSO-UHFFFAOYSA-N 2 1 247.346 1.042 50 0 BDAAMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000225419552 398310021 /nfs/dbraw/zinc/31/00/21/398310021.db2.gz ZTNWUIJERJCSRM-QWHCGFSZSA-N 2 1 228.380 1.421 50 0 BDAAMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000225419552 398310023 /nfs/dbraw/zinc/31/00/23/398310023.db2.gz ZTNWUIJERJCSRM-QWHCGFSZSA-N 2 1 228.380 1.421 50 0 BDAAMP Cc1nc(C[NH+]2CCC(C[NH3+])CC2)cs1 ZINC000044511794 343504987 /nfs/dbraw/zinc/50/49/87/343504987.db2.gz ZEYZIFKDRCDRKU-UHFFFAOYSA-N 2 1 225.361 1.622 50 0 BDAAMP Cc1ccc(NCCC[NH2+][C@H](C)CO)[nH+]c1 ZINC000065458638 178758472 /nfs/dbraw/zinc/75/84/72/178758472.db2.gz AJPHOUKHKLOJQF-LLVKDONJSA-N 2 1 223.320 1.162 50 0 BDAAMP C[C@H](CCCO)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000195553547 347641817 /nfs/dbraw/zinc/64/18/17/347641817.db2.gz WGXKPNQSLKGFQW-OLZOCXBDSA-N 2 1 240.391 1.754 50 0 BDAAMP C[C@H](CCCO)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000195553547 347641818 /nfs/dbraw/zinc/64/18/18/347641818.db2.gz WGXKPNQSLKGFQW-OLZOCXBDSA-N 2 1 240.391 1.754 50 0 BDAAMP Cc1[nH+]ccn1-c1ccc(C[NH3+])cc1F ZINC000020469822 188282355 /nfs/dbraw/zinc/28/23/55/188282355.db2.gz VMEUQOMHWNIZJN-UHFFFAOYSA-N 2 1 205.236 1.779 50 0 BDAAMP c1ccc(CC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000020135908 183392137 /nfs/dbraw/zinc/39/21/37/183392137.db2.gz KWDPAPUJVTXSDX-UHFFFAOYSA-N 2 1 204.317 1.524 50 0 BDAAMP c1ccc(CC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000020135908 183392140 /nfs/dbraw/zinc/39/21/40/183392140.db2.gz KWDPAPUJVTXSDX-UHFFFAOYSA-N 2 1 204.317 1.524 50 0 BDAAMP CCCO[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000032582157 169312230 /nfs/dbraw/zinc/31/22/30/169312230.db2.gz UHHYTTJLBAYFIX-AWEZNQCLSA-N 2 1 240.391 1.972 50 0 BDAAMP CCCO[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000032582157 169312231 /nfs/dbraw/zinc/31/22/31/169312231.db2.gz UHHYTTJLBAYFIX-AWEZNQCLSA-N 2 1 240.391 1.972 50 0 BDAAMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000097757582 384554981 /nfs/dbraw/zinc/55/49/81/384554981.db2.gz AZKBNPLDOBTBBR-HZSPNIEDSA-N 2 1 216.328 1.856 50 0 BDAAMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CO)cc1 ZINC000065396509 385306336 /nfs/dbraw/zinc/30/63/36/385306336.db2.gz SHBSKHUHIVDWQG-NSHDSACASA-N 2 1 245.326 1.651 50 0 BDAAMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000249007000 387988663 /nfs/dbraw/zinc/98/86/63/387988663.db2.gz JBUVYFZUJLISHT-STQMWFEESA-N 2 1 228.380 1.421 50 0 BDAAMP CC[NH+](CC)CCC[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000249007000 387988665 /nfs/dbraw/zinc/98/86/65/387988665.db2.gz JBUVYFZUJLISHT-STQMWFEESA-N 2 1 228.380 1.421 50 0 BDAAMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000022462475 397974620 /nfs/dbraw/zinc/97/46/20/397974620.db2.gz QRCCCCZXXGZOGG-HNNXBMFYSA-N 2 1 245.370 1.166 50 0 BDAAMP C[N@H+]1CCc2c(C[NH3+])c(-n3cccc3)sc2C1 ZINC000045795979 173170515 /nfs/dbraw/zinc/17/05/15/173170515.db2.gz HTYFCMXQVHOZMO-UHFFFAOYSA-N 2 1 247.367 1.985 50 0 BDAAMP COCC[N@@H+](C)CCOc1cccc(C[NH3+])c1 ZINC000042458450 174279629 /nfs/dbraw/zinc/27/96/29/174279629.db2.gz IAKJCITZTMGIJX-UHFFFAOYSA-N 2 1 238.331 1.102 50 0 BDAAMP COCC[NH+]1CCC([NH2+]C2CC=CC2)CC1 ZINC000089414519 174304508 /nfs/dbraw/zinc/30/45/08/174304508.db2.gz YQFQUIQYVQEBJO-UHFFFAOYSA-N 2 1 224.348 1.405 50 0 BDAAMP COc1ccc(CC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000036946413 175090770 /nfs/dbraw/zinc/09/07/70/175090770.db2.gz GPNVJKHGKNHSQU-UHFFFAOYSA-N 2 1 234.343 1.533 50 0 BDAAMP COc1ccc(CC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000036946413 175090771 /nfs/dbraw/zinc/09/07/71/175090771.db2.gz GPNVJKHGKNHSQU-UHFFFAOYSA-N 2 1 234.343 1.533 50 0 BDAAMP C[C@]1(O)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000097103383 491125085 /nfs/dbraw/zinc/12/50/85/491125085.db2.gz FSAPCSSFMAFRRS-AWEZNQCLSA-N 2 1 240.391 1.709 50 0 BDAAMP C[NH+]1CCC(N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000217647692 536345448 /nfs/dbraw/zinc/34/54/48/536345448.db2.gz KIFNVBDWODOUAK-KBPBESRZSA-N 2 1 237.391 1.297 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]C[C@@H]([NH3+])C[C@@H]1C ZINC000757208754 582560221 /nfs/dbraw/zinc/56/02/21/582560221.db2.gz DAXRXQLVNFBKKN-PKFCDNJMSA-N 2 1 244.342 1.869 50 0 BDAAMP CCC[NH+]1CCC([N@@H+]2CCCC[C@H]2CO)CC1 ZINC000000757683 642803964 /nfs/dbraw/zinc/80/39/64/642803964.db2.gz ACCUNGAPAYSHEG-AWEZNQCLSA-N 2 1 240.391 1.708 50 0 BDAAMP CCC[NH+]1CCC([N@H+]2CCCC[C@H]2CO)CC1 ZINC000000757683 642803968 /nfs/dbraw/zinc/80/39/68/642803968.db2.gz ACCUNGAPAYSHEG-AWEZNQCLSA-N 2 1 240.391 1.708 50 0 BDAAMP CC[N@H+]1CCCC[C@@H]1CNc1cc[nH+]c(CO)c1 ZINC000585092854 972131979 /nfs/dbraw/zinc/13/19/79/972131979.db2.gz QNCFKMNHLYQWOM-CQSZACIVSA-N 2 1 249.358 1.860 50 0 BDAAMP CC(C)CC[C@@H](C)[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC000200486136 970114990 /nfs/dbraw/zinc/11/49/90/970114990.db2.gz ZGBWYPPIBRODSV-CHWSQXEVSA-N 2 1 228.380 1.861 50 0 BDAAMP COCCN1CC[C@@H](C[N@@H+](C)C2CCCC2)C1 ZINC000952868506 974049207 /nfs/dbraw/zinc/04/92/07/974049207.db2.gz ABOFWOMNBJYQGX-ZDUSSCGKSA-N 2 1 240.391 1.829 50 0 BDAAMP COCC[N@@H+]1CC[C@@H](C[NH+](C)C2CCCC2)C1 ZINC000952868506 974049214 /nfs/dbraw/zinc/04/92/14/974049214.db2.gz ABOFWOMNBJYQGX-ZDUSSCGKSA-N 2 1 240.391 1.829 50 0 BDAAMP COCC[N@H+]1CC[C@@H](C[NH+](C)C2CCCC2)C1 ZINC000952868506 974049218 /nfs/dbraw/zinc/04/92/18/974049218.db2.gz ABOFWOMNBJYQGX-ZDUSSCGKSA-N 2 1 240.391 1.829 50 0 BDAAMP COCC[NH+]1CC[C@@H](C[N@H+](C)C2CCCC2)C1 ZINC000952868506 974049229 /nfs/dbraw/zinc/04/92/29/974049229.db2.gz ABOFWOMNBJYQGX-ZDUSSCGKSA-N 2 1 240.391 1.829 50 0 BDAAMP COCC[NH+]1CC[C@@H](C[N@@H+](C)C2CCCC2)C1 ZINC000952868506 974049244 /nfs/dbraw/zinc/04/92/44/974049244.db2.gz ABOFWOMNBJYQGX-ZDUSSCGKSA-N 2 1 240.391 1.829 50 0 BDAAMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000253394510 398279273 /nfs/dbraw/zinc/27/92/73/398279273.db2.gz ZTNWUIJERJCSRM-STQMWFEESA-N 2 1 228.380 1.421 50 0 BDAAMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000253394510 398279275 /nfs/dbraw/zinc/27/92/75/398279275.db2.gz ZTNWUIJERJCSRM-STQMWFEESA-N 2 1 228.380 1.421 50 0 BDAAMP [NH3+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000014007983 342875617 /nfs/dbraw/zinc/87/56/17/342875617.db2.gz AZKBNPLDOBTBBR-MJBXVCDLSA-N 2 1 216.328 1.856 50 0 BDAAMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCCO1 ZINC000125099830 180235672 /nfs/dbraw/zinc/23/56/72/180235672.db2.gz SFXATXJDUVZZAW-CYBMUJFWSA-N 2 1 237.347 1.692 50 0 BDAAMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCCO1 ZINC000125099830 180235674 /nfs/dbraw/zinc/23/56/74/180235674.db2.gz SFXATXJDUVZZAW-CYBMUJFWSA-N 2 1 237.347 1.692 50 0 BDAAMP NC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000106531532 181189107 /nfs/dbraw/zinc/18/91/07/181189107.db2.gz TZZNVHODCXROLL-ZDUSSCGKSA-N 2 1 246.358 1.382 50 0 BDAAMP [NH3+]C[C@]12C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000034724679 491107703 /nfs/dbraw/zinc/10/77/03/491107703.db2.gz JUOOTPCVPUXCDN-STQMWFEESA-N 2 1 202.301 1.467 50 0 BDAAMP COC[C@@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000328628446 371132643 /nfs/dbraw/zinc/13/26/43/371132643.db2.gz HGUUBDMWIBRJHG-GHMZBOCLSA-N 2 1 223.320 1.070 50 0 BDAAMP c1ccc2c(c1)[nH]c1c2CC[NH2+]C12CC[NH2+]CC2 ZINC000000156252 383835302 /nfs/dbraw/zinc/83/53/02/383835302.db2.gz QSXMLEPSIAKXGA-UHFFFAOYSA-N 2 1 241.338 1.892 50 0 BDAAMP COCCC[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524728980 384028179 /nfs/dbraw/zinc/02/81/79/384028179.db2.gz QLNBCBNCHNBBKX-UONOGXRCSA-N 2 1 240.391 1.877 50 0 BDAAMP Cn1cccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000050595880 384102828 /nfs/dbraw/zinc/10/28/28/384102828.db2.gz NFEPGKWTVCGLMK-GFCCVEGCSA-N 2 1 233.359 1.599 50 0 BDAAMP C[NH2+][C@@H](C[NH+]1CCCC1)C1CCOCC1 ZINC000039982816 384125222 /nfs/dbraw/zinc/12/52/22/384125222.db2.gz NNOWKUNCHNLIAZ-LBPRGKRZSA-N 2 1 212.337 1.097 50 0 BDAAMP COc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000011729470 384294287 /nfs/dbraw/zinc/29/42/87/384294287.db2.gz JDACBLXRPFJSHT-UHFFFAOYSA-N 2 1 220.316 1.618 50 0 BDAAMP C([C@H]1CCC[N@H+]2CCCC[C@H]12)N1CC[NH2+]CC1 ZINC000108523332 384717899 /nfs/dbraw/zinc/71/78/99/384717899.db2.gz QROOVRUKCMDFKC-ZIAGYGMSSA-N 2 1 237.391 1.156 50 0 BDAAMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034116357 385272699 /nfs/dbraw/zinc/27/26/99/385272699.db2.gz MVLOUNCMDFCYHO-DGCLKSJQSA-N 2 1 204.317 1.856 50 0 BDAAMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000034255582 385276863 /nfs/dbraw/zinc/27/68/63/385276863.db2.gz HHSQLKWLJFVEAT-CYBMUJFWSA-N 2 1 204.317 1.857 50 0 BDAAMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CCn1cccn1 ZINC000272337178 385290938 /nfs/dbraw/zinc/29/09/38/385290938.db2.gz BEOVCDGALNAYOA-GFCCVEGCSA-N 2 1 247.346 1.456 50 0 BDAAMP C/C(=C\c1ccco1)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000065369788 385300309 /nfs/dbraw/zinc/30/03/09/385300309.db2.gz OVRKLHUOGLNLQV-VNKGSWCUSA-N 2 1 220.316 1.964 50 0 BDAAMP C1CC2(C[N@H+]1[C@H]1CCCSC1)CC[NH2+]CC2 ZINC000257709137 386733864 /nfs/dbraw/zinc/73/38/64/386733864.db2.gz NGEQLOGMMBGBAV-LBPRGKRZSA-N 2 1 240.416 1.958 50 0 BDAAMP Cc1cccc(N2CC[NH+](CCC[NH3+])CC2)c1C ZINC000011805320 132320757 /nfs/dbraw/zinc/32/07/57/132320757.db2.gz YIYMSNMOTSGECP-UHFFFAOYSA-N 2 1 247.386 1.774 50 0 BDAAMP Cc1cccc(N2CC[NH+](CC[C@H](C)[NH3+])CC2)c1 ZINC000032627400 132335630 /nfs/dbraw/zinc/33/56/30/132335630.db2.gz GTWNGHGXDIZFTP-AWEZNQCLSA-N 2 1 247.386 1.854 50 0 BDAAMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000022462481 397974534 /nfs/dbraw/zinc/97/45/34/397974534.db2.gz QRCCCCZXXGZOGG-OAHLLOKOSA-N 2 1 245.370 1.166 50 0 BDAAMP CC(C)OCCC[NH2+]C1CC[NH+](C)CC1 ZINC000002545025 167220796 /nfs/dbraw/zinc/22/07/96/167220796.db2.gz VFERUZKEIMQACS-UHFFFAOYSA-N 2 1 214.353 1.485 50 0 BDAAMP CC[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000065418624 171340624 /nfs/dbraw/zinc/34/06/24/171340624.db2.gz VDRLYNGBKWNRHP-NSHDSACASA-N 2 1 214.353 1.221 50 0 BDAAMP CCc1[nH+]ccn1Cc1ccc(C[NH3+])cc1 ZINC000012399151 172026772 /nfs/dbraw/zinc/02/67/72/172026772.db2.gz GAEIWCJIKDCSSJ-UHFFFAOYSA-N 2 1 215.300 1.953 50 0 BDAAMP COc1ccc(C[N@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000238855629 175103317 /nfs/dbraw/zinc/10/33/17/175103317.db2.gz SGOHAKLJRYWYME-ITGUQSILSA-N 2 1 218.300 1.084 50 0 BDAAMP COc1ccc(C[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000238855629 175103318 /nfs/dbraw/zinc/10/33/18/175103318.db2.gz SGOHAKLJRYWYME-ITGUQSILSA-N 2 1 218.300 1.084 50 0 BDAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCC[NH+](C)C ZINC000020477182 177368777 /nfs/dbraw/zinc/36/87/77/177368777.db2.gz ZFMHJCHHDNGZAM-AGIUHOORSA-N 3 1 227.396 1.256 50 0 BDAAMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC[NH+](C)C ZINC000020477182 177368780 /nfs/dbraw/zinc/36/87/80/177368780.db2.gz ZFMHJCHHDNGZAM-AGIUHOORSA-N 3 1 227.396 1.256 50 0 BDAAMP CCC1=NO[C@@H](C[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)C1 ZINC000534583277 323153983 /nfs/dbraw/zinc/15/39/83/323153983.db2.gz DNUYZRXINLXWME-RGDJUOJXSA-N 2 1 249.358 1.224 50 0 BDAAMP CCC1=NO[C@@H](C[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)C1 ZINC000534583277 323153984 /nfs/dbraw/zinc/15/39/84/323153984.db2.gz DNUYZRXINLXWME-RGDJUOJXSA-N 2 1 249.358 1.224 50 0 BDAAMP C1C[C@H]2[C@H]3C[NH2+]C[C@H]3[C@@H]1[N@@H+]2[C@@H]1CCCSC1 ZINC000426486522 635726140 /nfs/dbraw/zinc/72/61/40/635726140.db2.gz VZDHRWSHNQXWAD-LBELIVKGSA-N 2 1 238.400 1.564 50 0 BDAAMP Cc1c(C)n(CCC[NH+](C)C)c2nc[nH+]c(N)c12 ZINC000006660303 398223617 /nfs/dbraw/zinc/22/36/17/398223617.db2.gz VFORCWNNHXECFM-UHFFFAOYSA-N 2 1 247.346 1.582 50 0 BDAAMP Cn1ncc2c1CCC[C@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000037266975 361801398 /nfs/dbraw/zinc/80/13/98/361801398.db2.gz AGYNSBXPRDXEHX-CYBMUJFWSA-N 2 1 248.374 1.481 50 0 BDAAMP CCN1CC[NH+](Cc2ccccc2C[NH3+])CC1 ZINC000021952122 343029891 /nfs/dbraw/zinc/02/98/91/343029891.db2.gz QHKAVVIOVVXKHH-UHFFFAOYSA-N 2 1 233.359 1.283 50 0 BDAAMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000012357867 180338023 /nfs/dbraw/zinc/33/80/23/180338023.db2.gz ARAUOPYWNGVLJW-LBPRGKRZSA-N 2 1 236.363 1.208 50 0 BDAAMP C(C1CCC1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000072131866 188307305 /nfs/dbraw/zinc/30/73/05/188307305.db2.gz RJXJTEJXCKHOPE-ZDUSSCGKSA-N 2 1 208.349 1.862 50 0 BDAAMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+]3CCCC[C@H]23)C[N@H+]1C ZINC000095420365 538603724 /nfs/dbraw/zinc/60/37/24/538603724.db2.gz KSFQVCUTJFMEDY-XJFOESAGSA-N 2 1 237.391 1.295 50 0 BDAAMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[NH+]1C ZINC000095420365 538603731 /nfs/dbraw/zinc/60/37/31/538603731.db2.gz KSFQVCUTJFMEDY-XJFOESAGSA-N 2 1 237.391 1.295 50 0 BDAAMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[NH+]1C ZINC000095420365 538603734 /nfs/dbraw/zinc/60/37/34/538603734.db2.gz KSFQVCUTJFMEDY-XJFOESAGSA-N 2 1 237.391 1.295 50 0 BDAAMP CN(C)c1cc(C2CC[NH2+]CC2)cc[nH+]1 ZINC000083285605 384758868 /nfs/dbraw/zinc/75/88/68/384758868.db2.gz ORTUNLBFVLRZSZ-UHFFFAOYSA-N 2 1 205.305 1.615 50 0 BDAAMP C[C@@H]([NH3+])CC[NH+]1CCN(c2ccccc2)CC1 ZINC000032627479 132335559 /nfs/dbraw/zinc/33/55/59/132335559.db2.gz SSLLIGZEBJAXAP-CYBMUJFWSA-N 2 1 233.359 1.546 50 0 BDAAMP C[C@H]([NH3+])CC[NH+]1CCN(c2ccccc2)CC1 ZINC000032627480 132335587 /nfs/dbraw/zinc/33/55/87/132335587.db2.gz SSLLIGZEBJAXAP-ZDUSSCGKSA-N 2 1 233.359 1.546 50 0 BDAAMP COCCCn1c(C)c[nH+]c1[C@H]1CC[NH2+]C1 ZINC000169676612 174266586 /nfs/dbraw/zinc/26/65/86/174266586.db2.gz USXXXOCIBNXVBX-NSHDSACASA-N 2 1 223.320 1.305 50 0 BDAAMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000011888389 175100210 /nfs/dbraw/zinc/10/02/10/175100210.db2.gz SBHNECOLJHKHAR-CYBMUJFWSA-N 2 1 234.343 1.866 50 0 BDAAMP COc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000000279562 175106128 /nfs/dbraw/zinc/10/61/28/175106128.db2.gz NDKSBLMWVDRHHO-UHFFFAOYSA-N 2 1 234.343 1.879 50 0 BDAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccccn1 ZINC000036907785 176278130 /nfs/dbraw/zinc/27/81/30/176278130.db2.gz LXSCDXAHRNDHAW-NFAWXSAZSA-N 2 1 247.386 1.942 50 0 BDAAMP C[C@H](c1ccncc1)[NH+]1CCC([NH3+])CC1 ZINC000020521508 177051273 /nfs/dbraw/zinc/05/12/73/177051273.db2.gz BSKFVHPAVOWLBA-SNVBAGLBSA-N 2 1 205.305 1.566 50 0 BDAAMP c1c[nH+]c(CC[NH2+]C2CSCCSC2)[nH]1 ZINC000534578693 323153848 /nfs/dbraw/zinc/15/38/48/323153848.db2.gz CCTRCXXMBQIAGK-UHFFFAOYSA-N 2 1 243.401 1.390 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@@H](C[NH3+])[NH2+]C1 ZINC000757207393 582558946 /nfs/dbraw/zinc/55/89/46/582558946.db2.gz ATMMMKHAVVMEFZ-MNOVXSKESA-N 2 1 244.342 1.666 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@@H]1CC[NH2+][C@H](C[NH3+])C1 ZINC000757210050 586438284 /nfs/dbraw/zinc/43/82/84/586438284.db2.gz HTIRUOIHYRTFRP-MNOVXSKESA-N 2 1 244.342 1.666 50 0 BDAAMP CCC[NH+]1CCC([N@@H+]2CCCC[C@@H]2CO)CC1 ZINC000000757685 642804615 /nfs/dbraw/zinc/80/46/15/642804615.db2.gz ACCUNGAPAYSHEG-CQSZACIVSA-N 2 1 240.391 1.708 50 0 BDAAMP CCC[NH+]1CCC([N@H+]2CCCC[C@@H]2CO)CC1 ZINC000000757685 642804618 /nfs/dbraw/zinc/80/46/18/642804618.db2.gz ACCUNGAPAYSHEG-CQSZACIVSA-N 2 1 240.391 1.708 50 0 BDAAMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CCc1cn[nH]c1 ZINC000952974744 644446163 /nfs/dbraw/zinc/44/61/63/644446163.db2.gz OXVHLZAAOOYZPM-LLVKDONJSA-N 2 1 224.352 1.271 50 0 BDAAMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CCc1cn[nH]c1 ZINC000952974744 644446170 /nfs/dbraw/zinc/44/61/70/644446170.db2.gz OXVHLZAAOOYZPM-LLVKDONJSA-N 2 1 224.352 1.271 50 0 BDAAMP C/C=C(\C)C[NH2+]C[C@@H]1CCC[N@H+](CCOC)C1 ZINC000952869083 974049341 /nfs/dbraw/zinc/04/93/41/974049341.db2.gz WEJFRNWWPOAUOE-HIICFIELSA-N 2 1 240.391 1.901 50 0 BDAAMP C[N@@H+](CCCn1cccn1)CCn1ccnc1 ZINC001506398856 988772147 /nfs/dbraw/zinc/77/21/47/988772147.db2.gz VIBPWYXLNKXDQZ-UHFFFAOYSA-N 2 1 233.319 1.102 50 0 BDAAMP C[N@@H+](CCC[NH3+])CCCNC(=O)OC(C)(C)C ZINC000039365257 343388980 /nfs/dbraw/zinc/38/89/80/343388980.db2.gz FXXUDMOOSAJDHQ-UHFFFAOYSA-N 2 1 245.367 1.182 50 0 BDAAMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCOC1 ZINC000336711418 180235697 /nfs/dbraw/zinc/23/56/97/180235697.db2.gz RFCAKSBLBVMVIO-ZDUSSCGKSA-N 2 1 237.347 1.550 50 0 BDAAMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCOC1 ZINC000336711418 180235699 /nfs/dbraw/zinc/23/56/99/180235699.db2.gz RFCAKSBLBVMVIO-ZDUSSCGKSA-N 2 1 237.347 1.550 50 0 BDAAMP c1cnn(CC2(C[NH2+][C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000067433135 188304525 /nfs/dbraw/zinc/30/45/25/188304525.db2.gz SNHHBDOAPHTFAZ-GFCCVEGCSA-N 2 1 234.347 1.005 50 0 BDAAMP C[NH+]1CCC([NH2+]C2CCSCC2)CC1 ZINC000035120870 355836265 /nfs/dbraw/zinc/83/62/65/355836265.db2.gz IWQQMDMNXIGDLD-UHFFFAOYSA-N 2 1 214.378 1.566 50 0 BDAAMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cncn2C)C1 ZINC000236788517 169209390 /nfs/dbraw/zinc/20/93/90/169209390.db2.gz HLFGNPGVHICWKJ-GFCCVEGCSA-N 2 1 236.363 1.242 50 0 BDAAMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cncn2C)C1 ZINC000236788517 169209392 /nfs/dbraw/zinc/20/93/92/169209392.db2.gz HLFGNPGVHICWKJ-GFCCVEGCSA-N 2 1 236.363 1.242 50 0 BDAAMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000191840958 387160560 /nfs/dbraw/zinc/16/05/60/387160560.db2.gz JBUVYFZUJLISHT-CHWSQXEVSA-N 2 1 228.380 1.421 50 0 BDAAMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000191840958 387160564 /nfs/dbraw/zinc/16/05/64/387160564.db2.gz JBUVYFZUJLISHT-CHWSQXEVSA-N 2 1 228.380 1.421 50 0 BDAAMP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000021948837 177246137 /nfs/dbraw/zinc/24/61/37/177246137.db2.gz SXCAMRDUPBADFT-PHIMTYICSA-N 2 1 212.337 1.095 50 0 BDAAMP CCC1=NO[C@@H](C[N@H+]2CCc3nc(C)[nH]c3C2)C1 ZINC000670433920 487485526 /nfs/dbraw/zinc/48/55/26/487485526.db2.gz DXHUNOPLFRMNKB-LLVKDONJSA-N 2 1 248.330 1.631 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]C[C@H]([NH3+])C[C@H]1C ZINC000757209071 586438025 /nfs/dbraw/zinc/43/80/25/586438025.db2.gz FOMAYWCETVDHGL-GLXFQSAKSA-N 2 1 244.342 1.869 50 0 BDAAMP CC(C)C[C@@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000958527878 644806110 /nfs/dbraw/zinc/80/61/10/644806110.db2.gz ICRKUKFRIRXZEL-DAAZQVBGSA-N 2 1 226.364 1.348 50 0 BDAAMP Cc1[nH+]ccn1CC[C@H](C)[NH2+]CCc1ncc[nH]1 ZINC000821181750 968484827 /nfs/dbraw/zinc/48/48/27/968484827.db2.gz KNZZNSHRQKBIEN-NSHDSACASA-N 2 1 247.346 1.526 50 0 BDAAMP COCC1(C[NH2+][C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000584901230 342713610 /nfs/dbraw/zinc/71/36/10/342713610.db2.gz BZLLTQGWLFUVNJ-NSHDSACASA-N 2 1 237.347 1.596 50 0 BDAAMP C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000020230863 342978024 /nfs/dbraw/zinc/97/80/24/342978024.db2.gz ITFXPPPQNKXGRV-UHFFFAOYSA-N 2 1 233.359 1.153 50 0 BDAAMP CC[NH+]1CCC([N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000000280473 343269443 /nfs/dbraw/zinc/26/94/43/343269443.db2.gz KIDHIAQSMIHXPR-LBPRGKRZSA-N 2 1 226.364 1.175 50 0 BDAAMP CC[NH+]1CCC([N@H+]2CCC[C@H](CO)C2)CC1 ZINC000000280473 343269446 /nfs/dbraw/zinc/26/94/46/343269446.db2.gz KIDHIAQSMIHXPR-LBPRGKRZSA-N 2 1 226.364 1.175 50 0 BDAAMP COC(C)(C)C[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000310430908 343279628 /nfs/dbraw/zinc/27/96/28/343279628.db2.gz RRDFIQWRGWFOOY-NSHDSACASA-N 2 1 239.363 1.985 50 0 BDAAMP C[N@@H+](C[C@H]1CCCOC1)CC(C)(C)[NH3+] ZINC000082545728 343447845 /nfs/dbraw/zinc/44/78/45/343447845.db2.gz HYGNAMHNQNZXBE-SNVBAGLBSA-N 2 1 200.326 1.082 50 0 BDAAMP C[N@@H+](CC1CCOCC1)C[C@H]1CCC[NH2+]C1 ZINC000042783260 343452864 /nfs/dbraw/zinc/45/28/64/343452864.db2.gz MOODZKXNWUAEJL-ZDUSSCGKSA-N 2 1 226.364 1.344 50 0 BDAAMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@H]1CCSC1)C2 ZINC000309593512 343935161 /nfs/dbraw/zinc/93/51/61/343935161.db2.gz HQODKOXYKBHZHH-MNOVXSKESA-N 2 1 237.372 1.541 50 0 BDAAMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2C)C1 ZINC000097160166 344162644 /nfs/dbraw/zinc/16/26/44/344162644.db2.gz GNLAAPMTRFBZII-GFCCVEGCSA-N 2 1 236.363 1.540 50 0 BDAAMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2C)C1 ZINC000097160166 344162646 /nfs/dbraw/zinc/16/26/46/344162646.db2.gz GNLAAPMTRFBZII-GFCCVEGCSA-N 2 1 236.363 1.540 50 0 BDAAMP Cc1ccc[nH+]c1NNC=C1C=CC=[NH+]1 ZINC000038812227 179395096 /nfs/dbraw/zinc/39/50/96/179395096.db2.gz PXKAZBFPWMMURA-NTMALXAHSA-N 2 1 200.245 1.789 50 0 BDAAMP C([C@H]1CCC[N@H+]2CCCC[C@@H]12)N1CC[NH2+]CC1 ZINC000098063900 191061254 /nfs/dbraw/zinc/06/12/54/191061254.db2.gz QROOVRUKCMDFKC-KGLIPLIRSA-N 2 1 237.391 1.156 50 0 BDAAMP c1c(C[NH+]2CCCCC2)nn2c1C[NH2+]CCC2 ZINC000601013352 350329963 /nfs/dbraw/zinc/32/99/63/350329963.db2.gz PCNHHANLKNLINB-UHFFFAOYSA-N 2 1 234.347 1.362 50 0 BDAAMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSC2)C[C@H]1C ZINC000309040255 538110171 /nfs/dbraw/zinc/11/01/71/538110171.db2.gz KSPRLIGDOJXHNA-GRYCIOLGSA-N 2 1 228.405 1.954 50 0 BDAAMP CN1CCC([N@H+](C)Cc2cccnc2)CC1 ZINC000006661768 356367756 /nfs/dbraw/zinc/36/77/56/356367756.db2.gz YMGDVAWUAJTADF-UHFFFAOYSA-N 2 1 219.332 1.608 50 0 BDAAMP CN1CCC([N@@H+](C)Cc2cccnc2)CC1 ZINC000006661768 356367760 /nfs/dbraw/zinc/36/77/60/356367760.db2.gz YMGDVAWUAJTADF-UHFFFAOYSA-N 2 1 219.332 1.608 50 0 BDAAMP CCOCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000169616689 170375457 /nfs/dbraw/zinc/37/54/57/170375457.db2.gz AMSJCLFYWQBSTK-QWRGUYRKSA-N 2 1 200.326 1.082 50 0 BDAAMP CCC[NH+]1CCC([N@H+]2CCC[C@H](CO)C2)CC1 ZINC000000757065 169186814 /nfs/dbraw/zinc/18/68/14/169186814.db2.gz ASWQIEUYVSQWRV-ZDUSSCGKSA-N 2 1 240.391 1.565 50 0 BDAAMP c1ccc2c(c1)CC[N@H+](C1CC[NH2+]CC1)C2 ZINC000014808485 384405878 /nfs/dbraw/zinc/40/58/78/384405878.db2.gz IKPZUTBWXLFVAL-UHFFFAOYSA-N 2 1 216.328 1.797 50 0 BDAAMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019843432 384546138 /nfs/dbraw/zinc/54/61/38/384546138.db2.gz LUURPVUDUOREFV-NSHDSACASA-N 2 1 205.305 1.252 50 0 BDAAMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019843432 384546146 /nfs/dbraw/zinc/54/61/46/384546146.db2.gz LUURPVUDUOREFV-NSHDSACASA-N 2 1 205.305 1.252 50 0 BDAAMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000044527934 385309509 /nfs/dbraw/zinc/30/95/09/385309509.db2.gz ZSXRVWIWZUXCGB-GFCCVEGCSA-N 2 1 220.316 1.563 50 0 BDAAMP C[NH+]1CCC([NH2+][C@@H](CO)Cc2ccccc2)CC1 ZINC000063218067 386403231 /nfs/dbraw/zinc/40/32/31/386403231.db2.gz XIZJCVZDVFPTBT-OAHLLOKOSA-N 2 1 248.370 1.274 50 0 BDAAMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249006996 387988672 /nfs/dbraw/zinc/98/86/72/387988672.db2.gz JBUVYFZUJLISHT-QWHCGFSZSA-N 2 1 228.380 1.421 50 0 BDAAMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000249006996 387988673 /nfs/dbraw/zinc/98/86/73/387988673.db2.gz JBUVYFZUJLISHT-QWHCGFSZSA-N 2 1 228.380 1.421 50 0 BDAAMP Cc1n[nH]cc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037648931 388474658 /nfs/dbraw/zinc/47/46/58/388474658.db2.gz VVAMSZZBDDNAGD-NSHDSACASA-N 2 1 234.347 1.292 50 0 BDAAMP Cc1n[nH]cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037648931 388474662 /nfs/dbraw/zinc/47/46/62/388474662.db2.gz VVAMSZZBDDNAGD-NSHDSACASA-N 2 1 234.347 1.292 50 0 BDAAMP [NH3+]CCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000004245220 132316274 /nfs/dbraw/zinc/31/62/74/132316274.db2.gz ZIMZCTNITGRQJE-UHFFFAOYSA-N 2 1 237.322 1.297 50 0 BDAAMP CCOC(=O)CC[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000036667639 170209586 /nfs/dbraw/zinc/20/95/86/170209586.db2.gz ZPTCRPRYBUXBTH-LLVKDONJSA-N 2 1 228.336 1.014 50 0 BDAAMP CCOC(=O)CC[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000036667639 170209588 /nfs/dbraw/zinc/20/95/88/170209588.db2.gz ZPTCRPRYBUXBTH-LLVKDONJSA-N 2 1 228.336 1.014 50 0 BDAAMP COc1cccc(C[N@@H+](C)CCC[NH3+])c1 ZINC000004384431 175254416 /nfs/dbraw/zinc/25/44/16/175254416.db2.gz FNIMPJHHWTVWSJ-UHFFFAOYSA-N 2 1 208.305 1.476 50 0 BDAAMP COc1ccccc1CCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000067676398 175322199 /nfs/dbraw/zinc/32/21/99/175322199.db2.gz NBWDORVJUMADHK-CQSZACIVSA-N 2 1 248.370 1.969 50 0 BDAAMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH3+] ZINC000238854237 176307456 /nfs/dbraw/zinc/30/74/56/176307456.db2.gz NAEAIOLWLQLRLN-ZYHUDNBSSA-N 2 1 205.305 1.251 50 0 BDAAMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH3+] ZINC000238854237 176307458 /nfs/dbraw/zinc/30/74/58/176307458.db2.gz NAEAIOLWLQLRLN-ZYHUDNBSSA-N 2 1 205.305 1.251 50 0 BDAAMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1 ZINC000049708370 176371204 /nfs/dbraw/zinc/37/12/04/176371204.db2.gz ZXRSAZKEWVLRNS-YPMHNXCESA-N 2 1 204.317 1.998 50 0 BDAAMP Cc1cc(N2CCC[N@H+]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000252467615 525066343 /nfs/dbraw/zinc/06/63/43/525066343.db2.gz WBSJEIDOZZTLER-NSHDSACASA-N 2 1 247.346 1.042 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@@H]1CC[NH2+][C@@H](C[NH3+])C1 ZINC000757210048 586438461 /nfs/dbraw/zinc/43/84/61/586438461.db2.gz HTIRUOIHYRTFRP-GHMZBOCLSA-N 2 1 244.342 1.666 50 0 BDAAMP C[N@H+]1CCC2(C1)CC[NH+]([C@H]1CCCOC1)CC2 ZINC000823769798 968559893 /nfs/dbraw/zinc/55/98/93/968559893.db2.gz BTPMLHFEDNZODW-ZDUSSCGKSA-N 2 1 238.375 1.583 50 0 BDAAMP C[C@@H](CCCO)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000195553539 347641858 /nfs/dbraw/zinc/64/18/58/347641858.db2.gz WGXKPNQSLKGFQW-QWHCGFSZSA-N 2 1 240.391 1.754 50 0 BDAAMP C[C@@H](CCCO)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000195553539 347641860 /nfs/dbraw/zinc/64/18/60/347641860.db2.gz WGXKPNQSLKGFQW-QWHCGFSZSA-N 2 1 240.391 1.754 50 0 BDAAMP C([C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CC[NH2+]CC1 ZINC000075906096 188308558 /nfs/dbraw/zinc/30/85/58/188308558.db2.gz QROOVRUKCMDFKC-KBPBESRZSA-N 2 1 237.391 1.156 50 0 BDAAMP Cc1c[nH+]c(C2CCC2)n1[C@@H]1CC[NH2+]C1 ZINC000169793053 361130968 /nfs/dbraw/zinc/13/09/68/361130968.db2.gz YIGBHTHJXVPROD-LLVKDONJSA-N 2 1 205.305 1.993 50 0 BDAAMP COC[C@@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328628447 371132216 /nfs/dbraw/zinc/13/22/16/371132216.db2.gz HGUUBDMWIBRJHG-MNOVXSKESA-N 2 1 223.320 1.070 50 0 BDAAMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000036128423 383880878 /nfs/dbraw/zinc/88/08/78/383880878.db2.gz HRXNASKZMPBQGA-CYBMUJFWSA-N 2 1 220.316 1.102 50 0 BDAAMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000026472770 384876483 /nfs/dbraw/zinc/87/64/83/384876483.db2.gz XUZFLQOWHVNBQZ-CYBMUJFWSA-N 2 1 220.316 1.236 50 0 BDAAMP C[NH+](C)C1CCN(c2ccc(N)[nH+]c2)CC1 ZINC000036191157 132340714 /nfs/dbraw/zinc/34/07/14/132340714.db2.gz YWYMTHVANRCKHF-UHFFFAOYSA-N 2 1 220.320 1.194 50 0 BDAAMP Cc1cc(N2CC[N@H+](C)C(C)(C)C2)nc(C)n1 ZINC000585092254 487577472 /nfs/dbraw/zinc/57/74/72/487577472.db2.gz LYYJQWAHCANETF-UHFFFAOYSA-N 2 1 234.347 1.624 50 0 BDAAMP CCOCC[N@H+](C)CCCc1c[nH+]cn1C ZINC000328599267 170388188 /nfs/dbraw/zinc/38/81/88/170388188.db2.gz RDAGNAWVYYUYKW-UHFFFAOYSA-N 2 1 225.336 1.321 50 0 BDAAMP CCOCC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000328599267 170388191 /nfs/dbraw/zinc/38/81/91/170388191.db2.gz RDAGNAWVYYUYKW-UHFFFAOYSA-N 2 1 225.336 1.321 50 0 BDAAMP COCC[NH2+][C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000096669768 174339456 /nfs/dbraw/zinc/33/94/56/174339456.db2.gz QJJQGUVAFHVGCW-CYBMUJFWSA-N 2 1 226.364 1.487 50 0 BDAAMP CCC[C@@]12C[NH2+]C[C@@](CCC)(C[N@H+](C)C1)[C@H]2O ZINC000253620611 520968051 /nfs/dbraw/zinc/96/80/51/520968051.db2.gz CERUTFUONTYINA-BTTYYORXSA-N 2 1 240.391 1.469 50 0 BDAAMP CCC[C@@]12C[NH2+]C[C@@](CCC)(C[N@@H+](C)C1)[C@H]2O ZINC000253620611 520968059 /nfs/dbraw/zinc/96/80/59/520968059.db2.gz CERUTFUONTYINA-BTTYYORXSA-N 2 1 240.391 1.469 50 0 BDAAMP C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000251174707 536345171 /nfs/dbraw/zinc/34/51/71/536345171.db2.gz PRBOWUVBAUMWGV-YNEHKIRRSA-N 2 1 238.375 1.484 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@H]1CC[C@H]([NH3+])C[NH2+]1 ZINC000757209918 586438450 /nfs/dbraw/zinc/43/84/50/586438450.db2.gz GQLVZCFAUGOOJK-JOYOIKCWSA-N 2 1 230.315 1.623 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@H]1CC[NH2+]C[C@@H]1[NH3+] ZINC000757212160 586439122 /nfs/dbraw/zinc/43/91/22/586439122.db2.gz MEGAAEBYUSQOSI-PWSUYJOCSA-N 2 1 230.315 1.276 50 0 BDAAMP CC[NH+]1CCC([N@H+](C)CCCC(=O)OC)CC1 ZINC000042680403 362017636 /nfs/dbraw/zinc/01/76/36/362017636.db2.gz QLKMIDXKUUQJLL-UHFFFAOYSA-N 2 1 242.363 1.356 50 0 BDAAMP CC[NH+]1CCC([N@@H+](C)CCCC(=O)OC)CC1 ZINC000042680403 362017643 /nfs/dbraw/zinc/01/76/43/362017643.db2.gz QLKMIDXKUUQJLL-UHFFFAOYSA-N 2 1 242.363 1.356 50 0 BDAAMP C[N@H+]1CCC[C@H]1CCNC1CC[NH+](C)CC1 ZINC000000182775 343268964 /nfs/dbraw/zinc/26/89/64/343268964.db2.gz RGWCSHVMKHVOCE-ZDUSSCGKSA-N 2 1 225.380 1.155 50 0 BDAAMP CN1CCC([NH2+]CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000000182775 343268966 /nfs/dbraw/zinc/26/89/66/343268966.db2.gz RGWCSHVMKHVOCE-ZDUSSCGKSA-N 2 1 225.380 1.155 50 0 BDAAMP CN1CCC([NH2+]CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000000182775 343268967 /nfs/dbraw/zinc/26/89/67/343268967.db2.gz RGWCSHVMKHVOCE-ZDUSSCGKSA-N 2 1 225.380 1.155 50 0 BDAAMP OC(C[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000000348106 346414574 /nfs/dbraw/zinc/41/45/74/346414574.db2.gz ANDURLBISWGIFG-UHFFFAOYSA-N 2 1 226.364 1.319 50 0 BDAAMP NC(=[NH2+])NC(=[NH2+])Nc1c(Cl)cccc1Cl ZINC000000016382 181188579 /nfs/dbraw/zinc/18/85/79/181188579.db2.gz PZXIBLJRRIQYKP-UHFFFAOYSA-N 2 1 246.101 1.823 50 0 BDAAMP c1ccc(C[N@@H+]2CCC[NH2+]CCOCC2)cc1 ZINC000685939338 538886143 /nfs/dbraw/zinc/88/61/43/538886143.db2.gz HDOPMBNZOYOPRX-UHFFFAOYSA-N 2 1 234.343 1.499 50 0 BDAAMP c1ccc(C[N@H+]2CCC[NH2+]CCOCC2)cc1 ZINC000685939338 538886145 /nfs/dbraw/zinc/88/61/45/538886145.db2.gz HDOPMBNZOYOPRX-UHFFFAOYSA-N 2 1 234.343 1.499 50 0 BDAAMP [NH3+]C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000020266788 181343980 /nfs/dbraw/zinc/34/39/80/181343980.db2.gz HXVZSLARSJNJRQ-UHFFFAOYSA-N 2 1 238.306 1.628 50 0 BDAAMP C[NH2+][C@H](C[NH+]1CCCC1)C1CCOCC1 ZINC000039982817 384124351 /nfs/dbraw/zinc/12/43/51/384124351.db2.gz NNOWKUNCHNLIAZ-GFCCVEGCSA-N 2 1 212.337 1.097 50 0 BDAAMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)CC(C)(C)O ZINC000096421136 385149072 /nfs/dbraw/zinc/14/90/72/385149072.db2.gz IPIGHLASMMBUBB-LLVKDONJSA-N 2 1 214.353 1.031 50 0 BDAAMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)CC(C)(C)O ZINC000096421136 385149077 /nfs/dbraw/zinc/14/90/77/385149077.db2.gz IPIGHLASMMBUBB-LLVKDONJSA-N 2 1 214.353 1.031 50 0 BDAAMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC(C)(C)O ZINC000096421136 385149080 /nfs/dbraw/zinc/14/90/80/385149080.db2.gz IPIGHLASMMBUBB-LLVKDONJSA-N 2 1 214.353 1.031 50 0 BDAAMP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366430086 386481995 /nfs/dbraw/zinc/48/19/95/386481995.db2.gz MMTNHTOWPLMQJK-CYBMUJFWSA-N 2 1 247.342 1.301 50 0 BDAAMP C[N@@H+](CCCO)CC[C@@H]1CCCC[NH+]1C ZINC000075860835 388358822 /nfs/dbraw/zinc/35/88/22/388358822.db2.gz FNWPFJJPJDEITL-LBPRGKRZSA-N 2 1 214.353 1.175 50 0 BDAAMP C[NH+](CCCO)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860835 388358826 /nfs/dbraw/zinc/35/88/26/388358826.db2.gz FNWPFJJPJDEITL-LBPRGKRZSA-N 2 1 214.353 1.175 50 0 BDAAMP C[NH+](CCCO)CC[C@@H]1CCCC[N@H+]1C ZINC000075860835 388358830 /nfs/dbraw/zinc/35/88/30/388358830.db2.gz FNWPFJJPJDEITL-LBPRGKRZSA-N 2 1 214.353 1.175 50 0 BDAAMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)(C)C ZINC000095421919 388769456 /nfs/dbraw/zinc/76/94/56/388769456.db2.gz KIRVRSRUXYZZDN-XQQFMLRXSA-N 2 1 240.391 1.874 50 0 BDAAMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)(C)C ZINC000095421919 388769461 /nfs/dbraw/zinc/76/94/61/388769461.db2.gz KIRVRSRUXYZZDN-XQQFMLRXSA-N 2 1 240.391 1.874 50 0 BDAAMP Cc1cccc(N2CC[NH+](CCC[NH3+])CC2)c1 ZINC000011805319 132320871 /nfs/dbraw/zinc/32/08/71/132320871.db2.gz DKKAQYKNOCNRSI-UHFFFAOYSA-N 2 1 233.359 1.466 50 0 BDAAMP Cc1cccc(N2CC[NH+](CC[C@@H](C)[NH3+])CC2)c1 ZINC000032627398 132335448 /nfs/dbraw/zinc/33/54/48/132335448.db2.gz GTWNGHGXDIZFTP-CQSZACIVSA-N 2 1 247.386 1.854 50 0 BDAAMP C[NH+]1CCN(c2ccc(N)c3c[nH+]ccc32)CC1 ZINC000035059574 132337332 /nfs/dbraw/zinc/33/73/32/132337332.db2.gz JSBMCQFQUJNWLL-UHFFFAOYSA-N 2 1 242.326 1.569 50 0 BDAAMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000004203930 173381383 /nfs/dbraw/zinc/38/13/83/173381383.db2.gz ZSYALYBRMVKYAS-CYBMUJFWSA-N 2 1 204.317 1.728 50 0 BDAAMP COCC[N@@H+](C)CC[C@H]([NH3+])c1ccccc1 ZINC000042460288 174278497 /nfs/dbraw/zinc/27/84/97/174278497.db2.gz KKNYJWAJPJRWHC-ZDUSSCGKSA-N 2 1 222.332 1.655 50 0 BDAAMP COc1ccc([C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000020274039 175178920 /nfs/dbraw/zinc/17/89/20/175178920.db2.gz XLXASEROEWXCOV-LBPRGKRZSA-N 2 1 208.305 1.647 50 0 BDAAMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH3+] ZINC000206966542 176305868 /nfs/dbraw/zinc/30/58/68/176305868.db2.gz MGTFEKWKCLDVNN-DGCLKSJQSA-N 2 1 204.317 1.856 50 0 BDAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccccn1 ZINC000036907788 177332185 /nfs/dbraw/zinc/33/21/85/177332185.db2.gz LXSCDXAHRNDHAW-VNHYZAJKSA-N 2 1 247.386 1.942 50 0 BDAAMP COC(C)(C)C[C@H](C)[NH2+]CCc1[nH]cc[nH+]1 ZINC000124858309 323172395 /nfs/dbraw/zinc/17/23/95/323172395.db2.gz ADKITEKINRGHBV-JTQLQIEISA-N 2 1 225.336 1.745 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@@H]1C[C@H](C)[C@@H]([NH3+])C[NH2+]1 ZINC000757213576 586439924 /nfs/dbraw/zinc/43/99/24/586439924.db2.gz PRHBPHJMLSRTCP-GAFUQQFSSA-N 2 1 244.342 1.869 50 0 BDAAMP Cc1c[nH]c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000426497097 635727267 /nfs/dbraw/zinc/72/72/67/635727267.db2.gz YGFCBWNFWJQJLY-UHFFFAOYSA-N 2 1 234.347 1.294 50 0 BDAAMP c1ccc(C[N@@H+]2CCOC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000952986105 644448064 /nfs/dbraw/zinc/44/80/64/644448064.db2.gz HSZFXCXOHYWGQJ-GJZGRUSLSA-N 2 1 246.354 1.497 50 0 BDAAMP c1ccc(C[N@H+]2CCOC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000952986105 644448070 /nfs/dbraw/zinc/44/80/70/644448070.db2.gz HSZFXCXOHYWGQJ-GJZGRUSLSA-N 2 1 246.354 1.497 50 0 BDAAMP CC[N@H+]1CCC[C@H]1CN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000823110221 968539806 /nfs/dbraw/zinc/53/98/06/968539806.db2.gz UOAQVTDEMOWMPC-CRWXNKLISA-N 2 1 237.391 1.140 50 0 BDAAMP C/C=C(\C)C[NH2+]C[C@H]1CCC[N@H+](CCOC)C1 ZINC000952869084 974048864 /nfs/dbraw/zinc/04/88/64/974048864.db2.gz WEJFRNWWPOAUOE-QJIMOZNHSA-N 2 1 240.391 1.901 50 0 BDAAMP Cc1ccc(NC2=[NH+]C(C)(C)NC(=[NH2+])N2)cc1 ZINC000003886785 342739149 /nfs/dbraw/zinc/73/91/49/342739149.db2.gz YPGKBEFAUYJKSV-UHFFFAOYSA-N 2 1 231.303 1.417 50 0 BDAAMP CCCc1nc(NCCC[NH3+])cc(C)[nH+]1 ZINC000016489895 342911409 /nfs/dbraw/zinc/91/14/09/342911409.db2.gz XMVFPODZSQSFQQ-UHFFFAOYSA-N 2 1 208.309 1.498 50 0 BDAAMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034061594 343263675 /nfs/dbraw/zinc/26/36/75/343263675.db2.gz MVLOUNCMDFCYHO-AAEUAGOBSA-N 2 1 204.317 1.856 50 0 BDAAMP Cc1[nH+]ccn1-c1ccc(F)cc1C[NH3+] ZINC000037236873 343340525 /nfs/dbraw/zinc/34/05/25/343340525.db2.gz ZNFIKDPSPZVNOM-UHFFFAOYSA-N 2 1 205.236 1.779 50 0 BDAAMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@H]1CCSC1)C2 ZINC000309593513 343935065 /nfs/dbraw/zinc/93/50/65/343935065.db2.gz HQODKOXYKBHZHH-QWRGUYRKSA-N 2 1 237.372 1.541 50 0 BDAAMP C[C@@H](CCCO)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000195553544 347641866 /nfs/dbraw/zinc/64/18/66/347641866.db2.gz WGXKPNQSLKGFQW-STQMWFEESA-N 2 1 240.391 1.754 50 0 BDAAMP C[C@@H](CCCO)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000195553544 347641868 /nfs/dbraw/zinc/64/18/68/347641868.db2.gz WGXKPNQSLKGFQW-STQMWFEESA-N 2 1 240.391 1.754 50 0 BDAAMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCSC2)C[C@H]1C ZINC000309040257 538110239 /nfs/dbraw/zinc/11/02/39/538110239.db2.gz KSPRLIGDOJXHNA-WOPDTQHZSA-N 2 1 228.405 1.954 50 0 BDAAMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccoc2)C[C@H]1O ZINC000584893491 369040819 /nfs/dbraw/zinc/04/08/19/369040819.db2.gz JQLSVCIXXKSYJF-QWHCGFSZSA-N 2 1 238.331 1.024 50 0 BDAAMP C[C@@H]([NH2+]C1(C[NH3+])CCOCC1)c1ccccc1 ZINC000068590664 384003198 /nfs/dbraw/zinc/00/31/98/384003198.db2.gz SJSHDLFGAZOKEL-GFCCVEGCSA-N 2 1 234.343 1.845 50 0 BDAAMP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000084148704 384760635 /nfs/dbraw/zinc/76/06/35/384760635.db2.gz QDJXNFMVIOKPHV-HNNXBMFYSA-N 2 1 248.370 1.712 50 0 BDAAMP CC(C)n1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cn1 ZINC000194541471 385439230 /nfs/dbraw/zinc/43/92/30/385439230.db2.gz PKIGRVBMEHGWRC-OKILXGFUSA-N 2 1 248.374 1.457 50 0 BDAAMP C1CC2(C[N@H+]1[C@@H]1CCCSC1)CC[NH2+]CC2 ZINC000257709136 386735766 /nfs/dbraw/zinc/73/57/66/386735766.db2.gz NGEQLOGMMBGBAV-GFCCVEGCSA-N 2 1 240.416 1.958 50 0 BDAAMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000191840947 387161853 /nfs/dbraw/zinc/16/18/53/387161853.db2.gz JBUVYFZUJLISHT-OLZOCXBDSA-N 2 1 228.380 1.421 50 0 BDAAMP CC[NH+](CC)CCC[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000191840947 387161859 /nfs/dbraw/zinc/16/18/59/387161859.db2.gz JBUVYFZUJLISHT-OLZOCXBDSA-N 2 1 228.380 1.421 50 0 BDAAMP CC[NH+](CC)CCCN1CC[N@H+]2CCC[C@H]2C1 ZINC000248958383 387510893 /nfs/dbraw/zinc/51/08/93/387510893.db2.gz BUAATDNMODQKNF-AWEZNQCLSA-N 2 1 239.407 1.498 50 0 BDAAMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)CC1 ZINC000095423800 388769248 /nfs/dbraw/zinc/76/92/48/388769248.db2.gz YMUYHSLEGBPDRN-MCIONIFRSA-N 2 1 238.375 1.628 50 0 BDAAMP c1cc2cc[nH+]cc2c(N2CC[NH2+]CC2)c1 ZINC000026896014 132333753 /nfs/dbraw/zinc/33/37/53/132333753.db2.gz SLTPPQIDSQSJIC-UHFFFAOYSA-N 2 1 213.284 1.644 50 0 in-vitro BDAAMP C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000037756701 132345326 /nfs/dbraw/zinc/34/53/26/132345326.db2.gz WNLJTZLFYGRZBD-UHFFFAOYSA-N 2 1 220.320 1.282 50 0 BDAAMP CCOCCC[N@H+](CCC[NH3+])Cc1ccco1 ZINC000032919814 170371662 /nfs/dbraw/zinc/37/16/62/170371662.db2.gz LHYFPBCXOHOFLS-UHFFFAOYSA-N 2 1 240.347 1.857 50 0 BDAAMP CCOCCC[N@@H+](CCC[NH3+])Cc1ccco1 ZINC000032919814 170371664 /nfs/dbraw/zinc/37/16/64/170371664.db2.gz LHYFPBCXOHOFLS-UHFFFAOYSA-N 2 1 240.347 1.857 50 0 BDAAMP CCc1[nH+]ccn1CCC[NH2+][C@@H]1CCSC1 ZINC000065387993 172025354 /nfs/dbraw/zinc/02/53/54/172025354.db2.gz OLJWCPJVGQLPEX-LLVKDONJSA-N 2 1 239.388 1.931 50 0 BDAAMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)CC(C)(C)O ZINC000096421137 173039526 /nfs/dbraw/zinc/03/95/26/173039526.db2.gz IPIGHLASMMBUBB-NSHDSACASA-N 2 1 214.353 1.031 50 0 BDAAMP C[NH+](C[C@H]1CCC[N@H+](C)C1)CC(C)(C)O ZINC000096421137 173039527 /nfs/dbraw/zinc/03/95/27/173039527.db2.gz IPIGHLASMMBUBB-NSHDSACASA-N 2 1 214.353 1.031 50 0 BDAAMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)CC(C)(C)O ZINC000096421137 173039530 /nfs/dbraw/zinc/03/95/30/173039530.db2.gz IPIGHLASMMBUBB-NSHDSACASA-N 2 1 214.353 1.031 50 0 BDAAMP COCC[N@H+]1CC[C@H](C[NH2+]C2CCCC2)C1 ZINC000076461751 174313509 /nfs/dbraw/zinc/31/35/09/174313509.db2.gz SFIBYSBWEYMYQQ-GFCCVEGCSA-N 2 1 226.364 1.487 50 0 BDAAMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[NH+](C)C ZINC000097104318 487831889 /nfs/dbraw/zinc/83/18/89/487831889.db2.gz UHTVZCDPNALQIG-UHFFFAOYSA-N 2 1 249.358 1.557 50 0 BDAAMP [NH3+]CC[C@H]1C[N@@H+](CCCc2cccnc2)CCO1 ZINC000244608574 527195572 /nfs/dbraw/zinc/19/55/72/527195572.db2.gz FEXPTXQPIWNNNX-AWEZNQCLSA-N 2 1 249.358 1.064 50 0 BDAAMP CCOCC[NH2+][C@@H]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000888098333 635376587 /nfs/dbraw/zinc/37/65/87/635376587.db2.gz IBQSLTXNFQXISQ-NWDGAFQWSA-N 2 1 237.347 1.682 50 0 BDAAMP CC/C=C(\C)CN1CCN2CC[N@@H+](C)C[C@H]2C1 ZINC000248155417 644666601 /nfs/dbraw/zinc/66/66/01/644666601.db2.gz VMUOXXHUFBPPIN-GUVYXZIWSA-N 2 1 237.391 1.274 50 0 BDAAMP [NH3+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000002525360 342722472 /nfs/dbraw/zinc/72/24/72/342722472.db2.gz AWOBBFYDHSJOIL-ZDUSSCGKSA-N 2 1 204.317 2.000 50 0 BDAAMP [NH3+]CCCC[C@H]([NH3+])C(=O)OCc1ccccc1 ZINC000034144296 343265533 /nfs/dbraw/zinc/26/55/33/343265533.db2.gz XXAYGJGDVLSEML-LBPRGKRZSA-N 2 1 236.315 1.186 50 0 BDAAMP C[NH+]1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000038095339 344700709 /nfs/dbraw/zinc/70/07/09/344700709.db2.gz KSMXJGHMWLVYNU-LBPRGKRZSA-N 2 1 212.337 1.239 50 0 BDAAMP Cc1nonc1C[NH2+][C@H](C)CCn1cc[nH+]c1C ZINC000584886001 369034633 /nfs/dbraw/zinc/03/46/33/369034633.db2.gz WMEHZZQIVBPWRK-SECBINFHSA-N 2 1 249.318 1.451 50 0 BDAAMP c1cc2c(s1)CC[N@@H+](C1CC[NH2+]CC1)C2 ZINC000043501198 183373895 /nfs/dbraw/zinc/37/38/95/183373895.db2.gz DOCBYMNEINOAFL-UHFFFAOYSA-N 2 1 222.357 1.858 50 0 BDAAMP c1cc2c(s1)CC[N@H+](C1CC[NH2+]CC1)C2 ZINC000043501198 183373897 /nfs/dbraw/zinc/37/38/97/183373897.db2.gz DOCBYMNEINOAFL-UHFFFAOYSA-N 2 1 222.357 1.858 50 0 BDAAMP Cc1c[nH+]c(N)nc1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000092046994 384160379 /nfs/dbraw/zinc/16/03/79/384160379.db2.gz XCVUQWGISNSOGG-LLVKDONJSA-N 2 1 249.362 1.288 50 0 BDAAMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000019088852 384508816 /nfs/dbraw/zinc/50/88/16/384508816.db2.gz IBSQNIPUVCQZAC-CYBMUJFWSA-N 2 1 204.317 1.857 50 0 BDAAMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1 ZINC000049708366 384558700 /nfs/dbraw/zinc/55/87/00/384558700.db2.gz ZXRSAZKEWVLRNS-DGCLKSJQSA-N 2 1 204.317 1.998 50 0 BDAAMP c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000082369460 384675536 /nfs/dbraw/zinc/67/55/36/384675536.db2.gz DUZSGEYBDJCPRP-KBPBESRZSA-N 2 1 216.328 1.728 50 0 BDAAMP CC[NH+](CC)CCC[N@H+]1CC[C@]2(CCOC2)C1 ZINC000191546396 387487177 /nfs/dbraw/zinc/48/71/77/387487177.db2.gz BFFKLVCATGLHKG-AWEZNQCLSA-N 2 1 240.391 1.831 50 0 BDAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000426397319 387565322 /nfs/dbraw/zinc/56/53/22/387565322.db2.gz AWFMQEPAYVPVQN-FOLVSLTJSA-N 2 1 242.366 1.823 50 0 BDAAMP C[NH+](C)CCC[NH2+]C[C@H]1OCCc2ccccc21 ZINC000001782882 387780426 /nfs/dbraw/zinc/78/04/26/387780426.db2.gz GKNOBYQJWCVNOG-OAHLLOKOSA-N 2 1 248.370 1.842 50 0 BDAAMP C[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085631465 388093229 /nfs/dbraw/zinc/09/32/29/388093229.db2.gz PRBOWUVBAUMWGV-UPJWGTAASA-N 2 1 238.375 1.484 50 0 BDAAMP COc1cccc(C[NH2+]CCC[NH+](C)C)c1 ZINC000057107121 175264528 /nfs/dbraw/zinc/26/45/28/175264528.db2.gz CHTUVBVTLXJMNP-UHFFFAOYSA-N 2 1 222.332 1.737 50 0 BDAAMP C[C@@H](c1ccccn1)[NH+]1CCC([NH3+])CC1 ZINC000020521608 176027576 /nfs/dbraw/zinc/02/75/76/176027576.db2.gz QJSFXTYZLFNLKB-JTQLQIEISA-N 2 1 205.305 1.566 50 0 BDAAMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](CC3CC3)C2)C[N@@H+]1C ZINC000089920311 176379245 /nfs/dbraw/zinc/37/92/45/176379245.db2.gz RGLPTCLUYOGMCQ-MRVWCRGKSA-N 2 1 237.391 1.153 50 0 BDAAMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](CC3CC3)C2)C[N@H+]1C ZINC000089920311 176379247 /nfs/dbraw/zinc/37/92/47/176379247.db2.gz RGLPTCLUYOGMCQ-MRVWCRGKSA-N 2 1 237.391 1.153 50 0 BDAAMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](CC3CC3)C2)C[NH+]1C ZINC000089920311 176379249 /nfs/dbraw/zinc/37/92/49/176379249.db2.gz RGLPTCLUYOGMCQ-MRVWCRGKSA-N 2 1 237.391 1.153 50 0 BDAAMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](CC3CC3)C2)C[NH+]1C ZINC000089920311 176379251 /nfs/dbraw/zinc/37/92/51/176379251.db2.gz RGLPTCLUYOGMCQ-MRVWCRGKSA-N 2 1 237.391 1.153 50 0 BDAAMP CCC[C@@]12C[NH2+]C[C@@](CCC)(C[N@H+](C)C1)[C@@H]2O ZINC000253620613 520967846 /nfs/dbraw/zinc/96/78/46/520967846.db2.gz CERUTFUONTYINA-ZSOGYDGISA-N 2 1 240.391 1.469 50 0 BDAAMP CCC[C@@]12C[NH2+]C[C@@](CCC)(C[N@@H+](C)C1)[C@@H]2O ZINC000253620613 520967854 /nfs/dbraw/zinc/96/78/54/520967854.db2.gz CERUTFUONTYINA-ZSOGYDGISA-N 2 1 240.391 1.469 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@@H]1[NH2+]C[C@@H]([NH3+])C[C@H]1C ZINC000757209075 586438079 /nfs/dbraw/zinc/43/80/79/586438079.db2.gz FOMAYWCETVDHGL-OLUVUFQESA-N 2 1 244.342 1.869 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@@H]1C[C@@H](C)[C@H]([NH3+])C[NH2+]1 ZINC000757213578 586439868 /nfs/dbraw/zinc/43/98/68/586439868.db2.gz PRHBPHJMLSRTCP-XWIASGKRSA-N 2 1 244.342 1.869 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@@H]1C[C@H](C)[C@H]([NH3+])C[NH2+]1 ZINC000757213577 586439871 /nfs/dbraw/zinc/43/98/71/586439871.db2.gz PRHBPHJMLSRTCP-NDMJEZRESA-N 2 1 244.342 1.869 50 0 BDAAMP CCC(CC)[C@@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000958528255 644806053 /nfs/dbraw/zinc/80/60/53/644806053.db2.gz LQVIBTOOZPOZCZ-RBKKPWLPSA-N 2 1 240.391 1.738 50 0 BDAAMP C/C=C(\C)C[NH2+]C[C@H]1CC[N@H+](CCOC)C1 ZINC000952868052 974065973 /nfs/dbraw/zinc/06/59/73/974065973.db2.gz ASBFPNYXOQAOQI-YKAQBRKTSA-N 2 1 226.364 1.511 50 0 BDAAMP CC[NH+](CC)CC1CC[NH+](CC(=O)OC)CC1 ZINC000047978049 342708093 /nfs/dbraw/zinc/70/80/93/342708093.db2.gz CZNSMMHCHGBMCX-UHFFFAOYSA-N 2 1 242.363 1.213 50 0 BDAAMP C[N@@H+](C[C@@H]1CCCOC1)CC(C)(C)[NH3+] ZINC000082545727 343447899 /nfs/dbraw/zinc/44/78/99/343447899.db2.gz HYGNAMHNQNZXBE-JTQLQIEISA-N 2 1 200.326 1.082 50 0 BDAAMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1CCSC1)C2 ZINC000309593511 343934811 /nfs/dbraw/zinc/93/48/11/343934811.db2.gz HQODKOXYKBHZHH-GHMZBOCLSA-N 2 1 237.372 1.541 50 0 BDAAMP C[C@@]1(C[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000095868154 384402331 /nfs/dbraw/zinc/40/23/31/384402331.db2.gz CXOCJFUGPZTFSC-ZDUSSCGKSA-N 2 1 204.317 2.000 50 0 BDAAMP C[C@@]1(C[NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000095868154 384402334 /nfs/dbraw/zinc/40/23/34/384402334.db2.gz CXOCJFUGPZTFSC-ZDUSSCGKSA-N 2 1 204.317 2.000 50 0 BDAAMP c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000100396281 384638504 /nfs/dbraw/zinc/63/85/04/384638504.db2.gz DUZSGEYBDJCPRP-KGLIPLIRSA-N 2 1 216.328 1.728 50 0 BDAAMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000082164327 384650627 /nfs/dbraw/zinc/65/06/27/384650627.db2.gz BIDKDUYMXXPICF-DGCLKSJQSA-N 2 1 204.317 1.856 50 0 BDAAMP c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000082972343 384730743 /nfs/dbraw/zinc/73/07/43/384730743.db2.gz DUZSGEYBDJCPRP-UONOGXRCSA-N 2 1 216.328 1.728 50 0 BDAAMP c1ccc2c(c1)CC([N@H+]1C[C@@H]3CC[NH2+][C@@H]3C1)C2 ZINC000426388124 387562202 /nfs/dbraw/zinc/56/22/02/387562202.db2.gz GTAPQAQNMQJPAN-DZGCQCFKSA-N 2 1 228.339 1.448 50 0 BDAAMP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000095973158 388798426 /nfs/dbraw/zinc/79/84/26/388798426.db2.gz IAMGDXXNAFVQHI-CHWSQXEVSA-N 2 1 242.407 1.715 50 0 BDAAMP Fc1ccc2[nH+]ccc(N3CC[NH2+]CC3)c2c1 ZINC000002548531 132238604 /nfs/dbraw/zinc/23/86/04/132238604.db2.gz JQPCJWGZIRIHPY-UHFFFAOYSA-N 2 1 231.274 1.784 50 0 BDAAMP CN1CCCc2c(N)c3c([nH+]c21)CC[N@H+](C)C3 ZINC000000507501 132313746 /nfs/dbraw/zinc/31/37/46/132313746.db2.gz GERYXRXAODVZGA-UHFFFAOYSA-N 2 1 232.331 1.034 50 0 BDAAMP CN1CCCc2c(N)c3c([nH+]c21)CC[N@@H+](C)C3 ZINC000000507501 132313747 /nfs/dbraw/zinc/31/37/47/132313747.db2.gz GERYXRXAODVZGA-UHFFFAOYSA-N 2 1 232.331 1.034 50 0 BDAAMP Cc1cc(N2CC[N@H+]3CCCC[C@@H]3C2)nc(N)[nH+]1 ZINC000051917407 132361994 /nfs/dbraw/zinc/36/19/94/132361994.db2.gz IMFZTUKLBVNKOJ-LLVKDONJSA-N 2 1 247.346 1.042 50 0 BDAAMP CC(C)[NH2+]CC[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000253393544 167107416 /nfs/dbraw/zinc/10/74/16/167107416.db2.gz HESKUXBLJCRNJM-RYUDHWBXSA-N 2 1 214.353 1.125 50 0 BDAAMP C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1c1ccccc1 ZINC000071373447 173190658 /nfs/dbraw/zinc/19/06/58/173190658.db2.gz LEIAGDQCKRSLTQ-AVGNSLFASA-N 2 1 202.301 1.509 50 0 BDAAMP COCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000002499243 174330239 /nfs/dbraw/zinc/33/02/39/174330239.db2.gz CZHMLRZRFASPTC-UHFFFAOYSA-N 2 1 248.370 1.887 50 0 BDAAMP C[C@@H](c1ccccc1)[NH+]1CCN(C(N)=[NH2+])CC1 ZINC000024866413 176021688 /nfs/dbraw/zinc/02/16/88/176021688.db2.gz YGMZCRUWWJWTJQ-NSHDSACASA-N 2 1 232.331 1.259 50 0 BDAAMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000082164331 176368123 /nfs/dbraw/zinc/36/81/23/176368123.db2.gz BIDKDUYMXXPICF-YPMHNXCESA-N 2 1 204.317 1.856 50 0 BDAAMP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000026515241 177247186 /nfs/dbraw/zinc/24/71/86/177247186.db2.gz VAXHDQLLHKKJFR-TXEJJXNPSA-N 2 1 226.364 1.485 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@H]1CC[C@H]([NH3+])C[NH2+]1 ZINC000757207365 586437240 /nfs/dbraw/zinc/43/72/40/586437240.db2.gz AGXTVAYSGVYUNB-CMPLNLGQSA-N 2 1 230.315 1.623 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@H]1CC[NH2+][C@@H](C[NH3+])C1 ZINC000757215134 586440285 /nfs/dbraw/zinc/44/02/85/586440285.db2.gz VAJUHQAFFJVQMU-CMPLNLGQSA-N 2 1 244.342 1.666 50 0 BDAAMP C1C[C@H]2C[N@@H+](C3CSCCSC3)C[C@H]2[NH2+]1 ZINC000426371899 635695237 /nfs/dbraw/zinc/69/52/37/635695237.db2.gz ATYMLDVUPGDMBY-GXSJLCMTSA-N 2 1 244.429 1.129 50 0 BDAAMP C1C[C@H]2C[N@H+](C3CSCCSC3)C[C@H]2[NH2+]1 ZINC000426371899 635695243 /nfs/dbraw/zinc/69/52/43/635695243.db2.gz ATYMLDVUPGDMBY-GXSJLCMTSA-N 2 1 244.429 1.129 50 0 BDAAMP CC[N@H+]1CCC[C@@H]1CN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000823110233 968538397 /nfs/dbraw/zinc/53/83/97/968538397.db2.gz UOAQVTDEMOWMPC-XJFOESAGSA-N 2 1 237.391 1.140 50 0 BDAAMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000014007980 342875650 /nfs/dbraw/zinc/87/56/50/342875650.db2.gz AZKBNPLDOBTBBR-BFHYXJOUSA-N 2 1 216.328 1.856 50 0 BDAAMP CC[NH+]1CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000000757688 343138748 /nfs/dbraw/zinc/13/87/48/343138748.db2.gz QGQWCUYDXACTDI-UHFFFAOYSA-N 2 1 226.364 1.364 50 0 BDAAMP CN1CCC([N@@H+](C)CCC[C@H]2CCCO2)CC1 ZINC000032547753 343237278 /nfs/dbraw/zinc/23/72/78/343237278.db2.gz ABWYYHOOAAJGIN-AWEZNQCLSA-N 2 1 240.391 1.972 50 0 BDAAMP C[N@H+](CCC[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000032547753 343237281 /nfs/dbraw/zinc/23/72/81/343237281.db2.gz ABWYYHOOAAJGIN-AWEZNQCLSA-N 2 1 240.391 1.972 50 0 BDAAMP C[N@@H+](CCC[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000032547753 343237283 /nfs/dbraw/zinc/23/72/83/343237283.db2.gz ABWYYHOOAAJGIN-AWEZNQCLSA-N 2 1 240.391 1.972 50 0 BDAAMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000195553541 347641804 /nfs/dbraw/zinc/64/18/04/347641804.db2.gz WGXKPNQSLKGFQW-CHWSQXEVSA-N 2 1 240.391 1.754 50 0 BDAAMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000195553541 347641805 /nfs/dbraw/zinc/64/18/05/347641805.db2.gz WGXKPNQSLKGFQW-CHWSQXEVSA-N 2 1 240.391 1.754 50 0 BDAAMP C(C1CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000089819089 191021919 /nfs/dbraw/zinc/02/19/19/191021919.db2.gz ZXMDIOSEGSHUES-ZDUSSCGKSA-N 2 1 208.349 1.957 50 0 BDAAMP Cc1[nH+]c2c(n1[C@@H]1CC[NH2+]C1)CCCC2 ZINC000076095349 180072265 /nfs/dbraw/zinc/07/22/65/180072265.db2.gz UUPMBIKPSSWRNM-SNVBAGLBSA-N 2 1 205.305 1.605 50 0 BDAAMP Cc1[nH+]ccn1Cc1ccc(C[NH3+])cc1 ZINC000012399149 180268351 /nfs/dbraw/zinc/26/83/51/180268351.db2.gz CEQSLMXHFKCBTN-UHFFFAOYSA-N 2 1 201.273 1.699 50 0 BDAAMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+]([C@H]1CCCSC1)C2 ZINC000426593513 191099833 /nfs/dbraw/zinc/09/98/33/191099833.db2.gz AMUCWZUYOAIVIX-USZNOCQGSA-N 2 1 226.389 1.551 50 0 BDAAMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+]3CCCC[C@@H]23)C[N@H+]1C ZINC000222017386 538571580 /nfs/dbraw/zinc/57/15/80/538571580.db2.gz KSFQVCUTJFMEDY-RQJABVFESA-N 2 1 237.391 1.295 50 0 BDAAMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[NH+]1C ZINC000222017386 538571588 /nfs/dbraw/zinc/57/15/88/538571588.db2.gz KSFQVCUTJFMEDY-RQJABVFESA-N 2 1 237.391 1.295 50 0 BDAAMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[NH+]1C ZINC000222017386 538571597 /nfs/dbraw/zinc/57/15/97/538571597.db2.gz KSFQVCUTJFMEDY-RQJABVFESA-N 2 1 237.391 1.295 50 0 BDAAMP C[C@@H]1C[C@H](N[C@H]2CC[NH+]3CCCC[C@@H]23)C[N@H+]1C ZINC000252120089 541445258 /nfs/dbraw/zinc/44/52/58/541445258.db2.gz KSFQVCUTJFMEDY-RFGFWPKPSA-N 2 1 237.391 1.295 50 0 BDAAMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C[NH+]1C ZINC000252120089 541445261 /nfs/dbraw/zinc/44/52/61/541445261.db2.gz KSFQVCUTJFMEDY-RFGFWPKPSA-N 2 1 237.391 1.295 50 0 BDAAMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCCC[C@@H]23)C[NH+]1C ZINC000252120089 541445264 /nfs/dbraw/zinc/44/52/64/541445264.db2.gz KSFQVCUTJFMEDY-RFGFWPKPSA-N 2 1 237.391 1.295 50 0 BDAAMP CC1(C)C[C@@]2(CCC[N@H+](CC[NH3+])C2)CCO1 ZINC000038193805 372417068 /nfs/dbraw/zinc/41/70/68/372417068.db2.gz YIECCTMCXLWQKT-CYBMUJFWSA-N 2 1 226.364 1.616 50 0 biogenic BDAAMP CC1(C)C[C@@]2(CCC[N@@H+](CC[NH3+])C2)CCO1 ZINC000038193805 372417075 /nfs/dbraw/zinc/41/70/75/372417075.db2.gz YIECCTMCXLWQKT-CYBMUJFWSA-N 2 1 226.364 1.616 50 0 biogenic BDAAMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC000236786378 169206361 /nfs/dbraw/zinc/20/63/61/169206361.db2.gz HLFGNPGVHICWKJ-LBPRGKRZSA-N 2 1 236.363 1.242 50 0 BDAAMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC000236786378 169206363 /nfs/dbraw/zinc/20/63/63/169206363.db2.gz HLFGNPGVHICWKJ-LBPRGKRZSA-N 2 1 236.363 1.242 50 0 BDAAMP Cc1n[nH]c(C)c1CCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000067541348 383929636 /nfs/dbraw/zinc/92/96/36/383929636.db2.gz IYBKZBXAYFWAMD-GFCCVEGCSA-N 2 1 236.363 1.301 50 0 BDAAMP c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000002527316 383970614 /nfs/dbraw/zinc/97/06/14/383970614.db2.gz ZLFPWTIKFBLPGM-AWEZNQCLSA-N 2 1 216.328 1.872 50 0 BDAAMP C1CCc2[nH+]c(C3CC[NH2+]CC3)[nH]c2C1 ZINC000049813291 384568045 /nfs/dbraw/zinc/56/80/45/384568045.db2.gz YWXZSOWUJSIBDJ-UHFFFAOYSA-N 2 1 205.305 1.756 50 0 BDAAMP [NH3+]C[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000054956853 384862001 /nfs/dbraw/zinc/86/20/01/384862001.db2.gz LPGFHFDNRSIKNH-JTQLQIEISA-N 2 1 208.280 1.606 50 0 BDAAMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000054956853 384862009 /nfs/dbraw/zinc/86/20/09/384862009.db2.gz LPGFHFDNRSIKNH-JTQLQIEISA-N 2 1 208.280 1.606 50 0 BDAAMP C[NH+]1CCC([NH2+]CC2(Cn3ccnc3)CC2)CC1 ZINC000065455729 385312957 /nfs/dbraw/zinc/31/29/57/385312957.db2.gz YQAMDCZZIHKOAV-UHFFFAOYSA-N 3 1 248.374 1.347 50 0 BDAAMP Cc1c[nH+]c(C[C@@H]2CC[NH2+]C2)n1C1CC1 ZINC000169676760 385416906 /nfs/dbraw/zinc/41/69/06/385416906.db2.gz OFQUTIWAUDMXIA-JTQLQIEISA-N 2 1 205.305 1.678 50 0 BDAAMP Cc1c[nH+]c(C2CC2)n1[C@@H]1CCC[NH2+]C1 ZINC000169676812 385417577 /nfs/dbraw/zinc/41/75/77/385417577.db2.gz YJSPWPJDLLYSKD-LLVKDONJSA-N 2 1 205.305 1.993 50 0 BDAAMP COC(=O)c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000020521516 387849133 /nfs/dbraw/zinc/84/91/33/387849133.db2.gz KUIDDESDPMEVCM-UHFFFAOYSA-N 2 1 248.326 1.396 50 0 BDAAMP Cc1ccc(C)c(N2CC[NH+](CCC[NH3+])CC2)c1 ZINC000065335452 132389285 /nfs/dbraw/zinc/38/92/85/132389285.db2.gz HUNAFHGAWUYQGY-UHFFFAOYSA-N 2 1 247.386 1.774 50 0 BDAAMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CO)c1ccccc1 ZINC000183772772 173028148 /nfs/dbraw/zinc/02/81/48/173028148.db2.gz MDJUYKSLBVRKJC-HUUCEWRRSA-N 2 1 248.370 1.794 50 0 BDAAMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CO)c1ccccc1 ZINC000183772772 173028149 /nfs/dbraw/zinc/02/81/49/173028149.db2.gz MDJUYKSLBVRKJC-HUUCEWRRSA-N 2 1 248.370 1.794 50 0 BDAAMP C[N@H+](C[C@]1(O)CCC[NH+](C)C1)C1CCCCC1 ZINC000041124018 173037252 /nfs/dbraw/zinc/03/72/52/173037252.db2.gz LSJPAXOHVZTAFI-AWEZNQCLSA-N 2 1 240.391 1.708 50 0 BDAAMP C[N@@H+](C[C@]1(O)CCC[NH+](C)C1)C1CCCCC1 ZINC000041124018 173037254 /nfs/dbraw/zinc/03/72/54/173037254.db2.gz LSJPAXOHVZTAFI-AWEZNQCLSA-N 2 1 240.391 1.708 50 0 BDAAMP C[NH+](C[C@]1(O)CCC[N@H+](C)C1)C1CCCCC1 ZINC000041124018 173037256 /nfs/dbraw/zinc/03/72/56/173037256.db2.gz LSJPAXOHVZTAFI-AWEZNQCLSA-N 2 1 240.391 1.708 50 0 BDAAMP C[NH+](C[C@]1(O)CCC[N@@H+](C)C1)C1CCCCC1 ZINC000041124018 173037258 /nfs/dbraw/zinc/03/72/58/173037258.db2.gz LSJPAXOHVZTAFI-AWEZNQCLSA-N 2 1 240.391 1.708 50 0 BDAAMP C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000006792514 173322630 /nfs/dbraw/zinc/32/26/30/173322630.db2.gz RGEQSTMITLEXKD-UHFFFAOYSA-N 2 1 204.317 1.870 50 0 BDAAMP COCC[N@H+](C)CCC[NH2+]Cc1cccnc1 ZINC000097287854 174274774 /nfs/dbraw/zinc/27/47/74/174274774.db2.gz JVPVVWQODSNYPR-UHFFFAOYSA-N 2 1 237.347 1.140 50 0 BDAAMP COCC[N@@H+](C)CCC[NH2+]Cc1cccnc1 ZINC000097287854 174274775 /nfs/dbraw/zinc/27/47/75/174274775.db2.gz JVPVVWQODSNYPR-UHFFFAOYSA-N 2 1 237.347 1.140 50 0 BDAAMP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccccc1 ZINC000068593140 177203720 /nfs/dbraw/zinc/20/37/20/177203720.db2.gz JKSBJAIJUUQUJS-AAEUAGOBSA-N 2 1 204.317 1.998 50 0 BDAAMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccccc1 ZINC000068593140 177203721 /nfs/dbraw/zinc/20/37/21/177203721.db2.gz JKSBJAIJUUQUJS-AAEUAGOBSA-N 2 1 204.317 1.998 50 0 BDAAMP C[C@@H]1CCC[N@@H+](CCNC2=[NH+]CCCCN2)C1 ZINC000521396911 259303967 /nfs/dbraw/zinc/30/39/67/259303967.db2.gz CWBHGGLGUBHORA-GFCCVEGCSA-N 2 1 238.379 1.047 50 0 BDAAMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000004202943 342743867 /nfs/dbraw/zinc/74/38/67/342743867.db2.gz AWOBBFYDHSJOIL-CYBMUJFWSA-N 2 1 204.317 2.000 50 0 BDAAMP CC[NH+](CC)CCNc1cc(C)[nH+]c(C)n1 ZINC000012016448 342846025 /nfs/dbraw/zinc/84/60/25/342846025.db2.gz IQWPYYQXFTVKNR-UHFFFAOYSA-N 2 1 222.336 1.847 50 0 BDAAMP CCOc1cccc(OCCC[NH2+]CC[NH3+])c1 ZINC000020118180 342969599 /nfs/dbraw/zinc/96/95/99/342969599.db2.gz WXCFXBLNOQJNJW-UHFFFAOYSA-N 2 1 238.331 1.403 50 0 BDAAMP [NH3+][C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1[NH3+] ZINC000038579549 343377235 /nfs/dbraw/zinc/37/72/35/343377235.db2.gz NWDYSRZJOLDMRE-QDIHITRGSA-N 2 1 236.318 1.932 50 0 BDAAMP C[N@@H+](CC1CC[NH2+]CC1)CC1CCOCC1 ZINC000042783267 343453029 /nfs/dbraw/zinc/45/30/29/343453029.db2.gz CMMQCQDIOHGHBP-UHFFFAOYSA-N 2 1 226.364 1.344 50 0 BDAAMP CCc1c[nH+]c(N)nc1NC[C@@H]1CCCCC[NH2+]1 ZINC000095357588 344334585 /nfs/dbraw/zinc/33/45/85/344334585.db2.gz JDGWYTGXGFAMHO-NSHDSACASA-N 2 1 249.362 1.565 50 0 BDAAMP Cc1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000051576735 179080857 /nfs/dbraw/zinc/08/08/57/179080857.db2.gz AXRWQPDGOZGYOY-LLVKDONJSA-N 2 1 205.305 1.171 50 0 BDAAMP c1nc(C[NH+]2CCCCC2)c2n1CCC[NH2+]C2 ZINC000601013420 350329723 /nfs/dbraw/zinc/32/97/23/350329723.db2.gz XSMYCYIBPDBEEF-UHFFFAOYSA-N 2 1 234.347 1.362 50 0 BDAAMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000012357868 180337783 /nfs/dbraw/zinc/33/77/83/180337783.db2.gz ARAUOPYWNGVLJW-GFCCVEGCSA-N 2 1 236.363 1.208 50 0 BDAAMP CC(C)C[C@@H](C)[N@@H+](C)C[C@H](O)CN1CCCC1 ZINC000048366628 541381485 /nfs/dbraw/zinc/38/14/85/541381485.db2.gz DETCWKVGBDEISD-KGLIPLIRSA-N 2 1 242.407 1.810 50 0 BDAAMP CC(C)C[C@@H](C)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000048366628 541381488 /nfs/dbraw/zinc/38/14/88/541381488.db2.gz DETCWKVGBDEISD-KGLIPLIRSA-N 2 1 242.407 1.810 50 0 BDAAMP CC(C)C[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000048366628 541381489 /nfs/dbraw/zinc/38/14/89/541381489.db2.gz DETCWKVGBDEISD-KGLIPLIRSA-N 2 1 242.407 1.810 50 0 BDAAMP [NH3+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000002884189 383991153 /nfs/dbraw/zinc/99/11/53/383991153.db2.gz FJHBXXSVOVHAEM-CYBMUJFWSA-N 2 1 204.317 1.510 50 0 BDAAMP Cc1[nH+]c(N)nc(NCCCc2[nH]cc[nH+]2)c1C ZINC000092045493 384158106 /nfs/dbraw/zinc/15/81/06/384158106.db2.gz MAZHTUZUSQVXSQ-UHFFFAOYSA-N 2 1 246.318 1.443 50 0 BDAAMP C[C@H]([NH3+])C[NH2+]Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000095377034 384372192 /nfs/dbraw/zinc/37/21/92/384372192.db2.gz PPVJIGLRZDYJKC-QMMMGPOBSA-N 2 1 249.289 1.104 50 0 BDAAMP [NH3+]C[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000100597200 384647905 /nfs/dbraw/zinc/64/79/05/384647905.db2.gz UNLBCCJUBAVNHR-XYYAHUGASA-N 2 1 202.301 1.323 50 0 BDAAMP C[N@@H+](Cc1cccnc1)C[C@H]1CCC[NH2+]C1 ZINC000021949668 384709004 /nfs/dbraw/zinc/70/90/04/384709004.db2.gz UKDGSWVIHDBVMN-ZDUSSCGKSA-N 2 1 219.332 1.513 50 0 BDAAMP C[N@H+](Cc1cccnc1)C[C@H]1CCC[NH2+]C1 ZINC000021949668 384709010 /nfs/dbraw/zinc/70/90/10/384709010.db2.gz UKDGSWVIHDBVMN-ZDUSSCGKSA-N 2 1 219.332 1.513 50 0 BDAAMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CO)cc1 ZINC000065396510 385306079 /nfs/dbraw/zinc/30/60/79/385306079.db2.gz SHBSKHUHIVDWQG-LLVKDONJSA-N 2 1 245.326 1.651 50 0 BDAAMP C[NH2+][C@@H](C)C(=O)NCc1ccc2nc(C)[nH]c2c1 ZINC000299769990 386489813 /nfs/dbraw/zinc/48/98/13/386489813.db2.gz PZMRQBWXKXQTEN-QMMMGPOBSA-N 2 1 246.314 1.095 50 0 BDAAMP C[N@@H+](CCCO)CC[C@H]1CCCC[NH+]1C ZINC000075860833 388359250 /nfs/dbraw/zinc/35/92/50/388359250.db2.gz FNWPFJJPJDEITL-GFCCVEGCSA-N 2 1 214.353 1.175 50 0 BDAAMP C[NH+](CCCO)CC[C@H]1CCCC[N@@H+]1C ZINC000075860833 388359251 /nfs/dbraw/zinc/35/92/51/388359251.db2.gz FNWPFJJPJDEITL-GFCCVEGCSA-N 2 1 214.353 1.175 50 0 BDAAMP C[NH+](CCCO)CC[C@H]1CCCC[N@H+]1C ZINC000075860833 388359252 /nfs/dbraw/zinc/35/92/52/388359252.db2.gz FNWPFJJPJDEITL-GFCCVEGCSA-N 2 1 214.353 1.175 50 0 BDAAMP COc1ccc([C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000020274041 175191768 /nfs/dbraw/zinc/19/17/68/175191768.db2.gz XLXASEROEWXCOV-GFCCVEGCSA-N 2 1 208.305 1.647 50 0 BDAAMP C[C@@H]1C[N@H+](Cc2ccccc2)CCC[NH2+]1 ZINC000062569199 176305623 /nfs/dbraw/zinc/30/56/23/176305623.db2.gz NGECKXKOOXAGCQ-GFCCVEGCSA-N 2 1 204.317 1.870 50 0 BDAAMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCC[NH2+]1 ZINC000062569199 176305625 /nfs/dbraw/zinc/30/56/25/176305625.db2.gz NGECKXKOOXAGCQ-GFCCVEGCSA-N 2 1 204.317 1.870 50 0 BDAAMP CCC1=NO[C@H](C[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)C1 ZINC000534583275 323153951 /nfs/dbraw/zinc/15/39/51/323153951.db2.gz DNUYZRXINLXWME-PDWCTOEPSA-N 2 1 249.358 1.224 50 0 BDAAMP CCC1=NO[C@H](C[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)C1 ZINC000534583275 323153952 /nfs/dbraw/zinc/15/39/52/323153952.db2.gz DNUYZRXINLXWME-PDWCTOEPSA-N 2 1 249.358 1.224 50 0 BDAAMP Cc1cc(C)nc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000534655027 323157853 /nfs/dbraw/zinc/15/78/53/323157853.db2.gz BZRSRHSPIGBYMN-UHFFFAOYSA-N 2 1 234.347 1.264 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@@H]([NH3+])C[NH2+]1 ZINC000757209921 586438606 /nfs/dbraw/zinc/43/86/06/586438606.db2.gz GQLVZCFAUGOOJK-SKDRFNHKSA-N 2 1 230.315 1.623 50 0 BDAAMP CC(C)C[C@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000958527879 644806695 /nfs/dbraw/zinc/80/66/95/644806695.db2.gz ICRKUKFRIRXZEL-FXJUQPSGSA-N 2 1 226.364 1.348 50 0 BDAAMP C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042463956 342775843 /nfs/dbraw/zinc/77/58/43/342775843.db2.gz VEMLLQAIJFCAAS-SDDRHHMPSA-N 2 1 212.337 1.367 50 0 BDAAMP C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042463956 342775845 /nfs/dbraw/zinc/77/58/45/342775845.db2.gz VEMLLQAIJFCAAS-SDDRHHMPSA-N 2 1 212.337 1.367 50 0 BDAAMP C[N@H+]1CCC[C@@H]1CCNC1CC[NH+](C)CC1 ZINC000000182771 343268943 /nfs/dbraw/zinc/26/89/43/343268943.db2.gz RGWCSHVMKHVOCE-CYBMUJFWSA-N 2 1 225.380 1.155 50 0 BDAAMP CN1CCC([NH2+]CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000000182771 343268945 /nfs/dbraw/zinc/26/89/45/343268945.db2.gz RGWCSHVMKHVOCE-CYBMUJFWSA-N 2 1 225.380 1.155 50 0 BDAAMP CN1CCC([NH2+]CC[C@H]2CCC[N@H+]2C)CC1 ZINC000000182771 343268947 /nfs/dbraw/zinc/26/89/47/343268947.db2.gz RGWCSHVMKHVOCE-CYBMUJFWSA-N 2 1 225.380 1.155 50 0 BDAAMP CCC[NH+]1CCC([N@@H+]2CCC[C@H]2CO)CC1 ZINC000000757213 343269925 /nfs/dbraw/zinc/26/99/25/343269925.db2.gz QALZMFJJONMUEY-ZDUSSCGKSA-N 2 1 226.364 1.318 50 0 BDAAMP CCC[NH+]1CCC([N@H+]2CCC[C@H]2CO)CC1 ZINC000000757213 343269926 /nfs/dbraw/zinc/26/99/26/343269926.db2.gz QALZMFJJONMUEY-ZDUSSCGKSA-N 2 1 226.364 1.318 50 0 BDAAMP Cc1ccccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000054956872 179275614 /nfs/dbraw/zinc/27/56/14/179275614.db2.gz UPZHRTDWMNFMBY-GFCCVEGCSA-N 2 1 204.317 1.776 50 0 BDAAMP NC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058366275 181189078 /nfs/dbraw/zinc/18/90/78/181189078.db2.gz TZZNVHODCXROLL-CYBMUJFWSA-N 2 1 246.358 1.382 50 0 BDAAMP [NH3+]CCCC[N@H+]1CCc2ccccc2C1 ZINC000004226761 181376225 /nfs/dbraw/zinc/37/62/25/181376225.db2.gz HFKUDRCZBGENKI-UHFFFAOYSA-N 2 1 204.317 1.784 50 0 BDAAMP [NH3+]CC[NH2+]CCSc1ccc(Cl)cc1 ZINC000020118407 181396493 /nfs/dbraw/zinc/39/64/93/181396493.db2.gz UQDZRJIDRVLCRX-UHFFFAOYSA-N 2 1 230.764 1.980 50 0 BDAAMP c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000016082803 368371269 /nfs/dbraw/zinc/37/12/69/368371269.db2.gz VZMAYQMDXZLZFZ-KBPBESRZSA-N 2 1 216.328 1.728 50 0 BDAAMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000000757063 169186547 /nfs/dbraw/zinc/18/65/47/169186547.db2.gz ASWQIEUYVSQWRV-CYBMUJFWSA-N 2 1 240.391 1.565 50 0 BDAAMP CCCO[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000032582155 169311107 /nfs/dbraw/zinc/31/11/07/169311107.db2.gz UHHYTTJLBAYFIX-CQSZACIVSA-N 2 1 240.391 1.972 50 0 BDAAMP CCCO[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000032582155 169311109 /nfs/dbraw/zinc/31/11/09/169311109.db2.gz UHHYTTJLBAYFIX-CQSZACIVSA-N 2 1 240.391 1.972 50 0 BDAAMP [NH3+]Cc1ccc(C[N@H+]2CCC[C@H](O)C2)cc1 ZINC000036128422 383882102 /nfs/dbraw/zinc/88/21/02/383882102.db2.gz HRXNASKZMPBQGA-ZDUSSCGKSA-N 2 1 220.316 1.102 50 0 BDAAMP C[NH+](C)CCCn1c[nH+]c2cc(N)ccc21 ZINC000044965586 384366441 /nfs/dbraw/zinc/36/64/41/384366441.db2.gz XKOGTPVTPOBYTR-UHFFFAOYSA-N 2 1 218.304 1.570 50 0 BDAAMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](CC3CC3)C2)C[N@@H+]1C ZINC000089920309 388373836 /nfs/dbraw/zinc/37/38/36/388373836.db2.gz RGLPTCLUYOGMCQ-BNOWGMLFSA-N 2 1 237.391 1.153 50 0 BDAAMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](CC3CC3)C2)C[N@H+]1C ZINC000089920309 388373838 /nfs/dbraw/zinc/37/38/38/388373838.db2.gz RGLPTCLUYOGMCQ-BNOWGMLFSA-N 2 1 237.391 1.153 50 0 BDAAMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](CC3CC3)C2)C[NH+]1C ZINC000089920309 388373839 /nfs/dbraw/zinc/37/38/39/388373839.db2.gz RGLPTCLUYOGMCQ-BNOWGMLFSA-N 2 1 237.391 1.153 50 0 BDAAMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](CC3CC3)C2)C[NH+]1C ZINC000089920309 388373840 /nfs/dbraw/zinc/37/38/40/388373840.db2.gz RGLPTCLUYOGMCQ-BNOWGMLFSA-N 2 1 237.391 1.153 50 0 BDAAMP Cc1cc(N2CCC([NH3+])CC2)nc(C)[nH+]1 ZINC000035548368 132338567 /nfs/dbraw/zinc/33/85/67/132338567.db2.gz WZVIPIYHPMSOHK-UHFFFAOYSA-N 2 1 206.293 1.021 50 0 BDAAMP CCOC(=O)C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000002559685 170193083 /nfs/dbraw/zinc/19/30/83/170193083.db2.gz MAEZHBHHHAZLBM-UHFFFAOYSA-N 2 1 240.347 1.014 50 0 in-vitro BDAAMP CCOC(=O)CC[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000036667640 170209565 /nfs/dbraw/zinc/20/95/65/170209565.db2.gz ZPTCRPRYBUXBTH-NSHDSACASA-N 2 1 228.336 1.014 50 0 BDAAMP CCOC(=O)CC[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000036667640 170209567 /nfs/dbraw/zinc/20/95/67/170209567.db2.gz ZPTCRPRYBUXBTH-NSHDSACASA-N 2 1 228.336 1.014 50 0 BDAAMP CCc1[nH+]ccn1CCC[NH2+][C@H]1CCSC1 ZINC000065387994 172025743 /nfs/dbraw/zinc/02/57/43/172025743.db2.gz OLJWCPJVGQLPEX-NSHDSACASA-N 2 1 239.388 1.931 50 0 BDAAMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000026897153 176306128 /nfs/dbraw/zinc/30/61/28/176306128.db2.gz MGTFEKWKCLDVNN-YPMHNXCESA-N 2 1 204.317 1.856 50 0 BDAAMP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccccc1 ZINC000062569213 177174803 /nfs/dbraw/zinc/17/48/03/177174803.db2.gz RGKDAJPPEVSFBH-LBPRGKRZSA-N 2 1 204.317 1.870 50 0 BDAAMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccccc1 ZINC000062569213 177174804 /nfs/dbraw/zinc/17/48/04/177174804.db2.gz RGKDAJPPEVSFBH-LBPRGKRZSA-N 2 1 204.317 1.870 50 0 BDAAMP CCC1=NO[C@H](C[N@H+]2CCc3nc(C)[nH]c3C2)C1 ZINC000670433921 487485638 /nfs/dbraw/zinc/48/56/38/487485638.db2.gz DXHUNOPLFRMNKB-NSHDSACASA-N 2 1 248.330 1.631 50 0 BDAAMP c1ccc(C[N@@H+]2CCOC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000952986106 644448768 /nfs/dbraw/zinc/44/87/68/644448768.db2.gz HSZFXCXOHYWGQJ-HUUCEWRRSA-N 2 1 246.354 1.497 50 0 BDAAMP c1ccc(C[N@H+]2CCOC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000952986106 644448773 /nfs/dbraw/zinc/44/87/73/644448773.db2.gz HSZFXCXOHYWGQJ-HUUCEWRRSA-N 2 1 246.354 1.497 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@@H]1CC[NH2+]C[C@H]1[NH3+] ZINC000757213845 712583191 /nfs/dbraw/zinc/58/31/91/712583191.db2.gz RHBKAVMFHZSMQX-MWLCHTKSSA-N 2 1 230.315 1.276 50 0 BDAAMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]CCc1ncc[nH]1 ZINC000821181749 968485011 /nfs/dbraw/zinc/48/50/11/968485011.db2.gz KNZZNSHRQKBIEN-LLVKDONJSA-N 2 1 247.346 1.526 50 0 BDAAMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000020179795 342974756 /nfs/dbraw/zinc/97/47/56/342974756.db2.gz AQKKSXVAGSAHBT-UHFFFAOYSA-N 2 1 233.359 1.024 50 0 BDAAMP COC(C)(C)C[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000310430907 343279500 /nfs/dbraw/zinc/27/95/00/343279500.db2.gz RRDFIQWRGWFOOY-LLVKDONJSA-N 2 1 239.363 1.985 50 0 BDAAMP C[N@H+]1[C@H](c2ccccc2)[C@@H](C[NH3+])C[C@]1(C)CO ZINC000101006171 343400011 /nfs/dbraw/zinc/40/00/11/343400011.db2.gz KPPJHGVBDBRRCV-MGPQQGTHSA-N 2 1 234.343 1.389 50 0 BDAAMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC1CCOCC1 ZINC000042783388 343453088 /nfs/dbraw/zinc/45/30/88/343453088.db2.gz BABQSLBBCKVSAV-CYBMUJFWSA-N 2 1 240.391 1.735 50 0 BDAAMP CC[NH+]1CCC([NH2+][C@@H](C)COC)CC1 ZINC000000279665 344674584 /nfs/dbraw/zinc/67/45/84/344674584.db2.gz POMCNNIJHZKCTF-JTQLQIEISA-N 2 1 200.326 1.095 50 0 BDAAMP Cc1c[nH+]c(N)nc1N1CCC[C@H]([NH+](C)C)CC1 ZINC000092046993 188498964 /nfs/dbraw/zinc/49/89/64/188498964.db2.gz XCVUQWGISNSOGG-NSHDSACASA-N 2 1 249.362 1.288 50 0 BDAAMP [NH3+]CC[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000020118403 181397859 /nfs/dbraw/zinc/39/78/59/181397859.db2.gz NQENRSWWNUZADH-UHFFFAOYSA-N 2 1 249.141 1.921 50 0 BDAAMP C[N@H+](Cc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000036883920 383918548 /nfs/dbraw/zinc/91/85/48/383918548.db2.gz WUZZCDOBFVDZCJ-CYBMUJFWSA-N 2 1 204.317 1.856 50 0 BDAAMP C[N@@H+](Cc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000036883920 383918553 /nfs/dbraw/zinc/91/85/53/383918553.db2.gz WUZZCDOBFVDZCJ-CYBMUJFWSA-N 2 1 204.317 1.856 50 0 BDAAMP CCCCc1nc(NCC[NH3+])cc(C)[nH+]1 ZINC000008731076 384212035 /nfs/dbraw/zinc/21/20/35/384212035.db2.gz AIZJGZREFBSELN-UHFFFAOYSA-N 2 1 208.309 1.498 50 0 BDAAMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCCCC[NH3+] ZINC000082048602 384644752 /nfs/dbraw/zinc/64/47/52/384644752.db2.gz YMBWPWAWAGVECD-JTQLQIEISA-N 2 1 230.352 1.565 50 0 BDAAMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1CCOCC1 ZINC000096492060 385230619 /nfs/dbraw/zinc/23/06/19/385230619.db2.gz MTVSZIOPBPOQPB-GXTWGEPZSA-N 2 1 240.391 1.875 50 0 BDAAMP c1cc2[nH+]ccc(N3CC[NH2+]CC3)c2s1 ZINC000203966717 132333187 /nfs/dbraw/zinc/33/31/87/132333187.db2.gz VTNFLAXAYXFTFH-UHFFFAOYSA-N 2 1 219.313 1.706 50 0 BDAAMP CCOCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000169616687 170375257 /nfs/dbraw/zinc/37/52/57/170375257.db2.gz AMSJCLFYWQBSTK-WDEREUQCSA-N 2 1 200.326 1.082 50 0 BDAAMP COCC[N@@H+](C)CC[C@@H]([NH3+])c1ccccc1 ZINC000042460290 174279347 /nfs/dbraw/zinc/27/93/47/174279347.db2.gz KKNYJWAJPJRWHC-CYBMUJFWSA-N 2 1 222.332 1.655 50 0 BDAAMP COCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000097200904 174314339 /nfs/dbraw/zinc/31/43/39/174314339.db2.gz TUILGEREYSLOOE-CYBMUJFWSA-N 2 1 249.358 1.770 50 0 BDAAMP COCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000097200904 174314340 /nfs/dbraw/zinc/31/43/40/174314340.db2.gz TUILGEREYSLOOE-CYBMUJFWSA-N 2 1 249.358 1.770 50 0 BDAAMP C[C@@H]1CC[N@H+](Cc2ccccc2)CC[NH2+]1 ZINC000022921689 176175694 /nfs/dbraw/zinc/17/56/94/176175694.db2.gz PQJUKENLCKCHQX-GFCCVEGCSA-N 2 1 204.317 1.870 50 0 BDAAMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CC[NH2+]1 ZINC000022921689 176175695 /nfs/dbraw/zinc/17/56/95/176175695.db2.gz PQJUKENLCKCHQX-GFCCVEGCSA-N 2 1 204.317 1.870 50 0 BDAAMP C[C@@H]1C[N@H+](Cc2cccc(C[NH3+])c2)C[C@H](C)O1 ZINC000020284083 177265130 /nfs/dbraw/zinc/26/51/30/177265130.db2.gz JCHXDLMFHVLZCH-TXEJJXNPSA-N 2 1 234.343 1.755 50 0 BDAAMP C[C@@]1(O)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000097103384 491125070 /nfs/dbraw/zinc/12/50/70/491125070.db2.gz FSAPCSSFMAFRRS-CQSZACIVSA-N 2 1 240.391 1.709 50 0 BDAAMP CCn1c(C[NH+]2CCCC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244858534 523189227 /nfs/dbraw/zinc/18/92/27/523189227.db2.gz VMXHXPXKLWPTPJ-XYPYZODXSA-N 2 1 249.362 1.099 50 0 BDAAMP C[C@@H](CCO)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000309576543 632539643 /nfs/dbraw/zinc/53/96/43/632539643.db2.gz PBPYOQPURYPKCE-LBPRGKRZSA-N 2 1 228.380 1.611 50 0 BDAAMP C[N@H+]1CCC2(C1)CC[NH+]([C@@H]1CCCOC1)CC2 ZINC000823769797 968560642 /nfs/dbraw/zinc/56/06/42/968560642.db2.gz BTPMLHFEDNZODW-CYBMUJFWSA-N 2 1 238.375 1.583 50 0 BDAAMP CC(=O)Nc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000020521627 342989482 /nfs/dbraw/zinc/98/94/82/342989482.db2.gz AXRLGJOCQBMUAP-UHFFFAOYSA-N 2 1 247.342 1.568 50 0 BDAAMP CCC[NH+]1CCC([N@@H+]2CCC[C@@H]2CO)CC1 ZINC000000757215 343269930 /nfs/dbraw/zinc/26/99/30/343269930.db2.gz QALZMFJJONMUEY-CYBMUJFWSA-N 2 1 226.364 1.318 50 0 BDAAMP CCC[NH+]1CCC([N@H+]2CCC[C@@H]2CO)CC1 ZINC000000757215 343269931 /nfs/dbraw/zinc/26/99/31/343269931.db2.gz QALZMFJJONMUEY-CYBMUJFWSA-N 2 1 226.364 1.318 50 0 BDAAMP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)CC1CCOCC1 ZINC000042783341 343452824 /nfs/dbraw/zinc/45/28/24/343452824.db2.gz GHWRNNMNOVUCDF-AWEZNQCLSA-N 2 1 240.391 1.877 50 0 BDAAMP CCc1nc(C[NH+]2CCC(C[NH3+])CC2)cs1 ZINC000044513485 343505134 /nfs/dbraw/zinc/50/51/34/343505134.db2.gz BDZIMXUZMGTGOM-UHFFFAOYSA-N 2 1 239.388 1.876 50 0 BDAAMP COCC[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000584905920 343605358 /nfs/dbraw/zinc/60/53/58/343605358.db2.gz XSABJTJKXWEJGZ-STQMWFEESA-N 2 1 226.364 1.487 50 0 BDAAMP Cc1cccc([C@@H](C)[NH2+]C[C@H](O)CN(C)C)c1 ZINC000096477260 179182673 /nfs/dbraw/zinc/18/26/73/179182673.db2.gz GSYIJRXEHAVPNJ-OCCSQVGLSA-N 2 1 236.359 1.568 50 0 BDAAMP Cc1ncc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000101425192 180146788 /nfs/dbraw/zinc/14/67/88/180146788.db2.gz FLXPPMPDOUJTDI-KWQFWETISA-N 2 1 225.361 1.621 50 0 BDAAMP Cc1ncc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000101425192 180146789 /nfs/dbraw/zinc/14/67/89/180146789.db2.gz FLXPPMPDOUJTDI-KWQFWETISA-N 2 1 225.361 1.621 50 0 BDAAMP Cc1nccn1CCC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@H]2[NH3+] ZINC000252505397 180240638 /nfs/dbraw/zinc/24/06/38/180240638.db2.gz VQSMQUIPMDXRGO-WDNDVIMCSA-N 2 1 248.374 1.251 50 0 BDAAMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2CC[C@@H](C1)[C@H]2[NH3+] ZINC000252505397 180240640 /nfs/dbraw/zinc/24/06/40/180240640.db2.gz VQSMQUIPMDXRGO-WDNDVIMCSA-N 3 1 248.374 1.251 50 0 BDAAMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@H]2[NH3+] ZINC000252505397 180240642 /nfs/dbraw/zinc/24/06/42/180240642.db2.gz VQSMQUIPMDXRGO-WDNDVIMCSA-N 3 1 248.374 1.251 50 0 BDAAMP Cc1c[nH+]c(C2CCC2)n1[C@H]1CC[NH2+]C1 ZINC000169793054 361130837 /nfs/dbraw/zinc/13/08/37/361130837.db2.gz YIGBHTHJXVPROD-NSHDSACASA-N 2 1 205.305 1.993 50 0 BDAAMP Cc1c[nH]c(CN(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000584885820 369034498 /nfs/dbraw/zinc/03/44/98/369034498.db2.gz LOTZLNLAMJLXFM-NSHDSACASA-N 2 1 222.336 1.244 50 0 BDAAMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCOc1cccnc1 ZINC000067908286 383959318 /nfs/dbraw/zinc/95/93/18/383959318.db2.gz BPXOUVZIMJSDIL-ZDUSSCGKSA-N 2 1 249.358 1.581 50 0 BDAAMP Cc1noc(C)c1C[NH2+]C1CCN(C)CC1 ZINC000037248731 383964957 /nfs/dbraw/zinc/96/49/57/383964957.db2.gz IQHKGCDQZNGUAB-UHFFFAOYSA-N 2 1 223.320 1.475 50 0 BDAAMP C[C@]1(C[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000095868152 384402128 /nfs/dbraw/zinc/40/21/28/384402128.db2.gz CXOCJFUGPZTFSC-CYBMUJFWSA-N 2 1 204.317 2.000 50 0 BDAAMP C[C@]1(C[NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000095868152 384402132 /nfs/dbraw/zinc/40/21/32/384402132.db2.gz CXOCJFUGPZTFSC-CYBMUJFWSA-N 2 1 204.317 2.000 50 0 BDAAMP Cc1ccc(NCCC[NH2+][C@@H](C)CO)[nH+]c1 ZINC000065458634 385315226 /nfs/dbraw/zinc/31/52/26/385315226.db2.gz AJPHOUKHKLOJQF-NSHDSACASA-N 2 1 223.320 1.162 50 0 BDAAMP Cc1c[nH+]c(C[C@H]2CC[NH2+]C2)n1C(C)C ZINC000169676766 385416832 /nfs/dbraw/zinc/41/68/32/385416832.db2.gz FIWQMZAJZZVQBZ-LLVKDONJSA-N 2 1 207.321 1.924 50 0 BDAAMP [NH3+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000001604123 132314296 /nfs/dbraw/zinc/31/42/96/132314296.db2.gz KNLCRNWJXCLJHQ-UHFFFAOYSA-N 2 1 219.332 1.157 50 0 in-vitro BDAAMP COCC[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000263584732 135360777 /nfs/dbraw/zinc/36/07/77/135360777.db2.gz XSABJTJKXWEJGZ-QWHCGFSZSA-N 2 1 226.364 1.487 50 0 biogenic BDAAMP CC(C)[NH2+]CC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000253393543 167107640 /nfs/dbraw/zinc/10/76/40/167107640.db2.gz HESKUXBLJCRNJM-NWDGAFQWSA-N 2 1 214.353 1.125 50 0 BDAAMP CC(C)c1[nH+]ccn1CCC[NH2+][C@H](C)CO ZINC000065507995 409992383 /nfs/dbraw/zinc/99/23/83/409992383.db2.gz KYJTWOOVPHBJQB-LLVKDONJSA-N 2 1 225.336 1.367 50 0 BDAAMP COc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC000011729468 175326685 /nfs/dbraw/zinc/32/66/85/175326685.db2.gz DVBRJIYUDLSVGV-UHFFFAOYSA-N 2 1 220.316 1.618 50 0 BDAAMP C[C@H](c1ccccc1)[NH+]1CCN(C(N)=[NH2+])CC1 ZINC000002599561 177038379 /nfs/dbraw/zinc/03/83/79/177038379.db2.gz YGMZCRUWWJWTJQ-LLVKDONJSA-N 2 1 232.331 1.259 50 0 BDAAMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1 ZINC000049708371 177327110 /nfs/dbraw/zinc/32/71/10/177327110.db2.gz ZXRSAZKEWVLRNS-AAEUAGOBSA-N 2 1 204.317 1.998 50 0 BDAAMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000082164329 177361345 /nfs/dbraw/zinc/36/13/45/177361345.db2.gz BIDKDUYMXXPICF-WCQYABFASA-N 2 1 204.317 1.856 50 0 BDAAMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1 ZINC000049708368 177364964 /nfs/dbraw/zinc/36/49/64/177364964.db2.gz ZXRSAZKEWVLRNS-WCQYABFASA-N 2 1 204.317 1.998 50 0 BDAAMP Cc1c(C)n(CC[NH+](C)C)c2nc[nH+]c(N)c12 ZINC000006672034 177577059 /nfs/dbraw/zinc/57/70/59/177577059.db2.gz KZVOLDLTSIZMDT-UHFFFAOYSA-N 2 1 233.319 1.192 50 0 BDAAMP CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000245204230 522227325 /nfs/dbraw/zinc/22/73/25/522227325.db2.gz DIQREXVGAWIWBR-WRWGMCAJSA-N 2 1 214.353 1.076 50 0 BDAAMP Cc1[nH+]ccn1CCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000244691755 527413871 /nfs/dbraw/zinc/41/38/71/527413871.db2.gz JISWJSHOCAHONO-AWEZNQCLSA-N 2 1 248.374 1.362 50 0 BDAAMP Cc1[nH+]ccn1CCCN1CC[N@H+]2CCC[C@H]2C1 ZINC000244691755 527413872 /nfs/dbraw/zinc/41/38/72/527413872.db2.gz JISWJSHOCAHONO-AWEZNQCLSA-N 2 1 248.374 1.362 50 0 BDAAMP C[N@@H+]1CCC[C@](O)(C[NH+]2CCCCCC2)C1 ZINC000046087839 583150516 /nfs/dbraw/zinc/15/05/16/583150516.db2.gz AMADGCJZWQUJJA-CYBMUJFWSA-N 2 1 226.364 1.319 50 0 BDAAMP C[N@H+]1CCC[C@](O)(C[NH+]2CCCCCC2)C1 ZINC000046087839 583150517 /nfs/dbraw/zinc/15/05/17/583150517.db2.gz AMADGCJZWQUJJA-CYBMUJFWSA-N 2 1 226.364 1.319 50 0 BDAAMP c1ccc(C[N@@H+]2CCOC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000952986107 644450183 /nfs/dbraw/zinc/45/01/83/644450183.db2.gz HSZFXCXOHYWGQJ-LSDHHAIUSA-N 2 1 246.354 1.497 50 0 BDAAMP c1ccc(C[N@H+]2CCOC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000952986107 644450187 /nfs/dbraw/zinc/45/01/87/644450187.db2.gz HSZFXCXOHYWGQJ-LSDHHAIUSA-N 2 1 246.354 1.497 50 0 BDAAMP Cc1cc2c[nH]nc2cc1[C@@H]1C[C@H](C)[C@@H]([NH3+])C[NH2+]1 ZINC000757213824 712583184 /nfs/dbraw/zinc/58/31/84/712583184.db2.gz RBCUFBRFENJLTC-WFBYXXMGSA-N 2 1 244.342 1.869 50 0 BDAAMP C/C=C(\C)C[NH2+]C[C@@H]1CC[N@H+](CCOC)C1 ZINC000952868051 974064892 /nfs/dbraw/zinc/06/48/92/974064892.db2.gz ASBFPNYXOQAOQI-VFJIKVCNSA-N 2 1 226.364 1.511 50 0 BDAAMP Cc1cc(N2CCC[N@H+]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000065585863 178114325 /nfs/dbraw/zinc/11/43/25/178114325.db2.gz WBSJEIDOZZTLER-LLVKDONJSA-N 2 1 247.346 1.042 50 0 BDAAMP CCOc1cccc(OCC[NH2+]CC[NH3+])c1 ZINC000020118184 342969799 /nfs/dbraw/zinc/96/97/99/342969799.db2.gz KIHOVXJCBOPRKV-UHFFFAOYSA-N 2 1 224.304 1.012 50 0 BDAAMP Cc1ccccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000054956874 179275090 /nfs/dbraw/zinc/27/50/90/179275090.db2.gz UPZHRTDWMNFMBY-LBPRGKRZSA-N 2 1 204.317 1.776 50 0 BDAAMP Cc1[nH+]c2c(n1[C@H]1CC[NH2+]C1)CCCC2 ZINC000076095351 180072570 /nfs/dbraw/zinc/07/25/70/180072570.db2.gz UUPMBIKPSSWRNM-JTQLQIEISA-N 2 1 205.305 1.605 50 0 BDAAMP CC[NH+](CC)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000309503995 350680017 /nfs/dbraw/zinc/68/00/17/350680017.db2.gz JKQGGCAHPOZAMA-UHFFFAOYSA-N 2 1 222.336 1.218 50 0 BDAAMP NC(=[NH2+])NCC[N@H+]1CC=C(c2ccccc2)CC1 ZINC000095918178 181189765 /nfs/dbraw/zinc/18/97/65/181189765.db2.gz GIKUKJBRNBUFKT-UHFFFAOYSA-N 2 1 244.342 1.259 50 0 BDAAMP NC(=[NH2+])NCC[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000095918178 181189767 /nfs/dbraw/zinc/18/97/67/181189767.db2.gz GIKUKJBRNBUFKT-UHFFFAOYSA-N 2 1 244.342 1.259 50 0 BDAAMP c1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC000004203957 384045025 /nfs/dbraw/zinc/04/50/25/384045025.db2.gz VZMAYQMDXZLZFZ-ZIAGYGMSSA-N 2 1 216.328 1.728 50 0 BDAAMP [NH3+][C@@H]1[C@@H]2C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000100645543 384649803 /nfs/dbraw/zinc/64/98/03/384649803.db2.gz PZBJODSAGVQRDZ-CLLJXQQHSA-N 2 1 202.301 1.466 50 0 BDAAMP c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000082972338 384731899 /nfs/dbraw/zinc/73/18/99/384731899.db2.gz DUZSGEYBDJCPRP-ZIAGYGMSSA-N 2 1 216.328 1.728 50 0 BDAAMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000026896629 384886051 /nfs/dbraw/zinc/88/60/51/384886051.db2.gz ZLFPWTIKFBLPGM-CQSZACIVSA-N 2 1 216.328 1.872 50 0 BDAAMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1CCOCC1 ZINC000096492058 385229905 /nfs/dbraw/zinc/22/99/05/385229905.db2.gz MTVSZIOPBPOQPB-JSGCOSHPSA-N 2 1 240.391 1.875 50 0 BDAAMP C[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000034502430 385284056 /nfs/dbraw/zinc/28/40/56/385284056.db2.gz OWDUMFUCVYNNMN-CYBMUJFWSA-N 2 1 204.317 1.728 50 0 BDAAMP COc1c(C)c[nH+]c(CN2CC[C@@H](C[NH3+])C2)c1C ZINC000050249116 386736772 /nfs/dbraw/zinc/73/67/72/386736772.db2.gz RQSPWCBOFYBFSI-LBPRGKRZSA-N 2 1 249.358 1.488 50 0 BDAAMP CC[NH+](CC)CCC[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000191546414 387486814 /nfs/dbraw/zinc/48/68/14/387486814.db2.gz BFFKLVCATGLHKG-CQSZACIVSA-N 2 1 240.391 1.831 50 0 BDAAMP Cc1cccc(N2CC[N@@H+](CCC[NH3+])[C@H](C)C2)c1 ZINC000045796296 132355027 /nfs/dbraw/zinc/35/50/27/132355027.db2.gz ZZPCTTOUYAGCKS-CQSZACIVSA-N 2 1 247.386 1.854 50 0 BDAAMP CC(C)c1[nH+]ccn1CCC[NH2+][C@@H](C)CO ZINC000065507993 409994247 /nfs/dbraw/zinc/99/42/47/409994247.db2.gz KYJTWOOVPHBJQB-NSHDSACASA-N 2 1 225.336 1.367 50 0 BDAAMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000004312829 170258494 /nfs/dbraw/zinc/25/84/94/170258494.db2.gz NCCMYMPJFQWVCO-LLVKDONJSA-N 2 1 240.347 1.014 50 0 in-vitro BDAAMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)c1ccccc1 ZINC000195557825 173028854 /nfs/dbraw/zinc/02/88/54/173028854.db2.gz MDJUYKSLBVRKJC-CABCVRRESA-N 2 1 248.370 1.794 50 0 BDAAMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)c1ccccc1 ZINC000195557825 173028856 /nfs/dbraw/zinc/02/88/56/173028856.db2.gz MDJUYKSLBVRKJC-CABCVRRESA-N 2 1 248.370 1.794 50 0 BDAAMP CN(Cc1cncs1)C[C@@H]1CC[N@@H+](C)C1 ZINC000121006320 173111874 /nfs/dbraw/zinc/11/18/74/173111874.db2.gz OFLNOLQYBKDGKM-SNVBAGLBSA-N 2 1 225.361 1.527 50 0 BDAAMP Cn1c2c(c3c1CC[N@H+](C)C3)C[NH+](C)CC2 ZINC000000488738 173169378 /nfs/dbraw/zinc/16/93/78/173169378.db2.gz IFSHPVVQGNXQAD-UHFFFAOYSA-N 2 1 219.332 1.001 50 0 biogenic BDAAMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000039348980 173196767 /nfs/dbraw/zinc/19/67/67/173196767.db2.gz TWPUPYDZIUZHII-OKILXGFUSA-N 2 1 216.328 1.680 50 0 BDAAMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000039348980 173196769 /nfs/dbraw/zinc/19/67/69/173196769.db2.gz TWPUPYDZIUZHII-OKILXGFUSA-N 2 1 216.328 1.680 50 0 BDAAMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000039348980 173196772 /nfs/dbraw/zinc/19/67/72/173196772.db2.gz TWPUPYDZIUZHII-OKILXGFUSA-N 2 1 216.328 1.680 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]C[C@H]([NH3+])C[C@@H]1C ZINC000757208750 582559742 /nfs/dbraw/zinc/55/97/42/582559742.db2.gz DAXRXQLVNFBKKN-IMSIIYSGSA-N 2 1 244.342 1.869 50 0 BDAAMP CCC(CC)[C@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000958528259 644806683 /nfs/dbraw/zinc/80/66/83/644806683.db2.gz LQVIBTOOZPOZCZ-WJLOJVBCSA-N 2 1 240.391 1.738 50 0 BDAAMP CCC[C@@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000958528412 644808198 /nfs/dbraw/zinc/80/81/98/644808198.db2.gz RLDXSNIXGOIJIX-FBTJUVTCSA-N 2 1 212.337 1.102 50 0 BDAAMP Cc1ccc2n[nH]cc2c1[C@H]1CC[NH2+]C[C@@H]1[NH3+] ZINC000757213848 712583150 /nfs/dbraw/zinc/58/31/50/712583150.db2.gz RHBKAVMFHZSMQX-ONGXEEELSA-N 2 1 230.315 1.276 50 0 BDAAMP